smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH2+]=C(NCCC[NH+]1CCOCC1)NCCNC(=O)c1ccco1 ZINC000264058939 237225869 /nfs/dbraw/zinc/22/58/69/237225869.db2.gz BYDHOHPQVWMXTI-UHFFFAOYSA-N 2 1 323.397 -0.364 20 30 DBEDMP CNC(=O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000625480045 374657905 /nfs/dbraw/zinc/65/79/05/374657905.db2.gz UKVMKRJHFYRCHW-KBPBESRZSA-N 2 1 306.410 -0.874 20 30 DBEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000331049654 378282085 /nfs/dbraw/zinc/28/20/85/378282085.db2.gz HPGVEOHYCAPUJR-UHFFFAOYSA-N 2 1 313.446 -0.054 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)CC1 ZINC000491811397 380990547 /nfs/dbraw/zinc/99/05/47/380990547.db2.gz CUBYJHDIZOPERA-HNNXBMFYSA-N 2 1 321.421 -0.105 20 30 DBEDMP C=CC[C@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662678102 412195370 /nfs/dbraw/zinc/19/53/70/412195370.db2.gz BIDDWQXAHTYDSP-MRXNPFEDSA-N 2 1 308.426 -0.035 20 30 DBEDMP NC(=O)C[C@H]1CC[N@@H+](CC#CC[NH+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923110 544881044 /nfs/dbraw/zinc/88/10/44/544881044.db2.gz BQJSQAPYGJQJMK-OKILXGFUSA-N 2 1 306.410 -0.616 20 30 DBEDMP NC(=O)C[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923110 544881047 /nfs/dbraw/zinc/88/10/47/544881047.db2.gz BQJSQAPYGJQJMK-OKILXGFUSA-N 2 1 306.410 -0.616 20 30 DBEDMP NC(=O)C[C@H]1CC[NH+](CC#CC[N@H+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923110 544881051 /nfs/dbraw/zinc/88/10/51/544881051.db2.gz BQJSQAPYGJQJMK-OKILXGFUSA-N 2 1 306.410 -0.616 20 30 DBEDMP C[NH+]=C(NC[C@@H](C)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261700815 526369206 /nfs/dbraw/zinc/36/92/06/526369206.db2.gz JECNVEGOLXLBFT-GFCCVEGCSA-N 2 1 321.429 -0.406 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001027693837 665582596 /nfs/dbraw/zinc/58/25/96/665582596.db2.gz KIPMEOCADVWVNL-OAHLLOKOSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001027693837 665582597 /nfs/dbraw/zinc/58/25/97/665582597.db2.gz KIPMEOCADVWVNL-OAHLLOKOSA-N 2 1 320.437 -0.260 20 30 DBEDMP CC(C)(C)C(=O)NCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303971299 663795917 /nfs/dbraw/zinc/79/59/17/663795917.db2.gz DHODDFYQFWPPHD-UHFFFAOYSA-N 2 1 313.446 -0.225 20 30 DBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676169 664236289 /nfs/dbraw/zinc/23/62/89/664236289.db2.gz CKNZCFAZHYPYEO-GJZGRUSLSA-N 2 1 303.410 -0.021 20 30 DBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676169 664236294 /nfs/dbraw/zinc/23/62/94/664236294.db2.gz CKNZCFAZHYPYEO-GJZGRUSLSA-N 2 1 303.410 -0.021 20 30 DBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086248 664440635 /nfs/dbraw/zinc/44/06/35/664440635.db2.gz GBVFEGKPUNYNPV-KBXIAJHMSA-N 2 1 320.437 -0.038 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798652 665087980 /nfs/dbraw/zinc/08/79/80/665087980.db2.gz CIOJZSUTOUMMRO-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798652 665087981 /nfs/dbraw/zinc/08/79/81/665087981.db2.gz CIOJZSUTOUMMRO-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798652 665087984 /nfs/dbraw/zinc/08/79/84/665087984.db2.gz CIOJZSUTOUMMRO-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798853 665088620 /nfs/dbraw/zinc/08/86/20/665088620.db2.gz LJWSKMZEIHHHIL-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798853 665088623 /nfs/dbraw/zinc/08/86/23/665088623.db2.gz LJWSKMZEIHHHIL-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798853 665088626 /nfs/dbraw/zinc/08/86/26/665088626.db2.gz LJWSKMZEIHHHIL-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000991725938 674882267 /nfs/dbraw/zinc/88/22/67/674882267.db2.gz GORIHSLNLQMGTF-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000991725938 674882269 /nfs/dbraw/zinc/88/22/69/674882269.db2.gz GORIHSLNLQMGTF-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000991725938 674882272 /nfs/dbraw/zinc/88/22/72/674882272.db2.gz GORIHSLNLQMGTF-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000991725938 674882273 /nfs/dbraw/zinc/88/22/73/674882273.db2.gz GORIHSLNLQMGTF-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001028333871 670684460 /nfs/dbraw/zinc/68/44/60/670684460.db2.gz RWYITXDRFZCWHW-UKRRQHHQSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001028333871 670684467 /nfs/dbraw/zinc/68/44/67/670684467.db2.gz RWYITXDRFZCWHW-UKRRQHHQSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@H](C)C(N)=O)CC1 ZINC001028333869 670685617 /nfs/dbraw/zinc/68/56/17/670685617.db2.gz RWYITXDRFZCWHW-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H](C)C(N)=O)CC1 ZINC001028333869 670685634 /nfs/dbraw/zinc/68/56/34/670685634.db2.gz RWYITXDRFZCWHW-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@@H](COC)C1 ZINC000261755714 670842989 /nfs/dbraw/zinc/84/29/89/670842989.db2.gz CNSJDZYDRMDCQC-ZIAGYGMSSA-N 2 1 313.446 -0.845 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698610 670968033 /nfs/dbraw/zinc/96/80/33/670968033.db2.gz OABKHMLPVIKUKS-BOLLXYOYSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698610 670968036 /nfs/dbraw/zinc/96/80/36/670968036.db2.gz OABKHMLPVIKUKS-BOLLXYOYSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698610 670968040 /nfs/dbraw/zinc/96/80/40/670968040.db2.gz OABKHMLPVIKUKS-BOLLXYOYSA-N 2 1 303.406 -0.079 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261976572 671161713 /nfs/dbraw/zinc/16/17/13/671161713.db2.gz NQRBXMYBXFJOLH-DZGCQCFKSA-N 3 1 306.458 -0.612 20 30 DBEDMP COCCN(C)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303985544 671492384 /nfs/dbraw/zinc/49/23/84/671492384.db2.gz SYSJIIDJAZGPIT-UHFFFAOYSA-N 2 1 301.435 -0.809 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N1CC[NH+](CC(C)C)CC1 ZINC000262805381 671587764 /nfs/dbraw/zinc/58/77/64/671587764.db2.gz SMTFEWZLBNXVEH-MRXNPFEDSA-N 3 1 322.501 -0.165 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001030019198 671854941 /nfs/dbraw/zinc/85/49/41/671854941.db2.gz KINLOUXLNWXSOB-KKUMJFAQSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001030019198 671854942 /nfs/dbraw/zinc/85/49/42/671854942.db2.gz KINLOUXLNWXSOB-KKUMJFAQSA-N 2 1 320.437 -0.072 20 30 DBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856540 677636761 /nfs/dbraw/zinc/63/67/61/677636761.db2.gz BREFFISVLQMRQB-GNHJJJEISA-N 2 1 303.406 -0.079 20 30 DBEDMP CC#CC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856540 677636764 /nfs/dbraw/zinc/63/67/64/677636764.db2.gz BREFFISVLQMRQB-GNHJJJEISA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](CC)C(N)=O)CC1 ZINC000996683449 678279080 /nfs/dbraw/zinc/27/90/80/678279080.db2.gz CTBPFKUDOUBECJ-GJZGRUSLSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](CC)C(N)=O)CC1 ZINC000996683449 678279083 /nfs/dbraw/zinc/27/90/83/678279083.db2.gz CTBPFKUDOUBECJ-GJZGRUSLSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999963491 678780280 /nfs/dbraw/zinc/78/02/80/678780280.db2.gz QZKMDHVBKMOOBT-LSDHHAIUSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999963491 678780285 /nfs/dbraw/zinc/78/02/85/678780285.db2.gz QZKMDHVBKMOOBT-LSDHHAIUSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999963491 678780286 /nfs/dbraw/zinc/78/02/86/678780286.db2.gz QZKMDHVBKMOOBT-LSDHHAIUSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043356 678793352 /nfs/dbraw/zinc/79/33/52/678793352.db2.gz KEPKOCAILVZARE-DZGCQCFKSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043356 678793356 /nfs/dbraw/zinc/79/33/56/678793356.db2.gz KEPKOCAILVZARE-DZGCQCFKSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043356 678793360 /nfs/dbraw/zinc/79/33/60/678793360.db2.gz KEPKOCAILVZARE-DZGCQCFKSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001001488794 678936142 /nfs/dbraw/zinc/93/61/42/678936142.db2.gz AXRYBGGAWMTDHC-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)C(N)=O)CC1 ZINC001001488794 678936144 /nfs/dbraw/zinc/93/61/44/678936144.db2.gz AXRYBGGAWMTDHC-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001016335096 679003970 /nfs/dbraw/zinc/00/39/70/679003970.db2.gz AKYQNOCPJJUMAR-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001016335096 679003971 /nfs/dbraw/zinc/00/39/71/679003971.db2.gz AKYQNOCPJJUMAR-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@H](C)C(N)=O)CC2)CC1 ZINC001004200977 679115333 /nfs/dbraw/zinc/11/53/33/679115333.db2.gz HGMDWCATXDUXEE-CYBMUJFWSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316634666 805972546 /nfs/dbraw/zinc/97/25/46/805972546.db2.gz JGIRHTVGQFKGSE-ZQDZILKHSA-N 2 1 320.437 -0.297 20 30 DBEDMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852864364 805983598 /nfs/dbraw/zinc/98/35/98/805983598.db2.gz TYRFJMMJNFNHEH-HNNXBMFYSA-N 2 1 320.437 -0.307 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316842622 806005375 /nfs/dbraw/zinc/00/53/75/806005375.db2.gz JUZQPLCYLQPBIG-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001316842622 806005385 /nfs/dbraw/zinc/00/53/85/806005385.db2.gz JUZQPLCYLQPBIG-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001316842622 806005396 /nfs/dbraw/zinc/00/53/96/806005396.db2.gz JUZQPLCYLQPBIG-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001316936912 806036168 /nfs/dbraw/zinc/03/61/68/806036168.db2.gz IKQWKAMOBUAKAD-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001316936912 806036174 /nfs/dbraw/zinc/03/61/74/806036174.db2.gz IKQWKAMOBUAKAD-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984472 806061498 /nfs/dbraw/zinc/06/14/98/806061498.db2.gz ASHZKVFWKVGPBR-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984472 806061507 /nfs/dbraw/zinc/06/15/07/806061507.db2.gz ASHZKVFWKVGPBR-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001317078266 806084202 /nfs/dbraw/zinc/08/42/02/806084202.db2.gz MLLCXJUHDAFWCV-ZQDZILKHSA-N 2 1 320.437 -0.297 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001317096853 806087704 /nfs/dbraw/zinc/08/77/04/806087704.db2.gz LNVCDQMRSRHKTB-IHRRRGAJSA-N 2 1 324.425 -0.754 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001317096853 806087713 /nfs/dbraw/zinc/08/77/13/806087713.db2.gz LNVCDQMRSRHKTB-IHRRRGAJSA-N 2 1 324.425 -0.754 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317381055 806140326 /nfs/dbraw/zinc/14/03/26/806140326.db2.gz JSGZOKITABBKRN-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317381055 806140331 /nfs/dbraw/zinc/14/03/31/806140331.db2.gz JSGZOKITABBKRN-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317452594 806153668 /nfs/dbraw/zinc/15/36/68/806153668.db2.gz JQFKNGPYBKFAFZ-KBPBESRZSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317452594 806153674 /nfs/dbraw/zinc/15/36/74/806153674.db2.gz JQFKNGPYBKFAFZ-KBPBESRZSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317503518 806170121 /nfs/dbraw/zinc/17/01/21/806170121.db2.gz ZRVYJJHIJOBMDW-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317503518 806170123 /nfs/dbraw/zinc/17/01/23/806170123.db2.gz ZRVYJJHIJOBMDW-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317503518 806170126 /nfs/dbraw/zinc/17/01/26/806170126.db2.gz ZRVYJJHIJOBMDW-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317503518 806170128 /nfs/dbraw/zinc/17/01/28/806170128.db2.gz ZRVYJJHIJOBMDW-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C(C)C ZINC001317636159 806212202 /nfs/dbraw/zinc/21/22/02/806212202.db2.gz GHUONUXVQNKIDE-UHFFFAOYSA-N 2 1 319.409 -0.196 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318512634 806307949 /nfs/dbraw/zinc/30/79/49/806307949.db2.gz TVVDZFYAKKOKNG-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318512634 806307958 /nfs/dbraw/zinc/30/79/58/806307958.db2.gz TVVDZFYAKKOKNG-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602475 806316179 /nfs/dbraw/zinc/31/61/79/806316179.db2.gz JREWYRDMDBNWQB-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602475 806316189 /nfs/dbraw/zinc/31/61/89/806316189.db2.gz JREWYRDMDBNWQB-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001318665575 806319803 /nfs/dbraw/zinc/31/98/03/806319803.db2.gz ANLFOWOQAVURHJ-AWEZNQCLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243349 806356187 /nfs/dbraw/zinc/35/61/87/806356187.db2.gz CUGFOBHRQQKHOV-STQMWFEESA-N 2 1 309.414 -0.690 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001319194581 806352313 /nfs/dbraw/zinc/35/23/13/806352313.db2.gz CJWHNRNTJNKUKD-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001319194581 806352322 /nfs/dbraw/zinc/35/23/22/806352322.db2.gz CJWHNRNTJNKUKD-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H](CNC(=O)[C@@]12CC[N@@H+](C1)CCC2)C[NH2+]CC(=O)NCC#N ZINC001319271536 806359036 /nfs/dbraw/zinc/35/90/36/806359036.db2.gz JXUADPMMSGSTAK-BBRMVZONSA-N 2 1 321.425 -0.546 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319642834 806399640 /nfs/dbraw/zinc/39/96/40/806399640.db2.gz KVQCZIJDBWNSBK-HUUCEWRRSA-N 2 1 322.453 -0.192 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711808 806452207 /nfs/dbraw/zinc/45/22/07/806452207.db2.gz NZGGPHDUWBBNTD-RQJABVFESA-N 2 1 320.393 -0.360 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711808 806452211 /nfs/dbraw/zinc/45/22/11/806452211.db2.gz NZGGPHDUWBBNTD-RQJABVFESA-N 2 1 320.393 -0.360 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320610004 806509247 /nfs/dbraw/zinc/50/92/47/806509247.db2.gz ZBKKHJMZEFAJJC-ZIAGYGMSSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321249090 806594981 /nfs/dbraw/zinc/59/49/81/806594981.db2.gz HYSOVNCGVOSQKE-ZRUQZJFASA-N 2 1 306.410 -0.660 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCN(CC)C1=O ZINC001321543145 806638290 /nfs/dbraw/zinc/63/82/90/806638290.db2.gz HVYVHYVVIDWDNT-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCN(CC)C1=O ZINC001321543145 806638294 /nfs/dbraw/zinc/63/82/94/806638294.db2.gz HVYVHYVVIDWDNT-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321663951 806654550 /nfs/dbraw/zinc/65/45/50/806654550.db2.gz YAKIQGOKLQCODN-ZIAGYGMSSA-N 2 1 323.441 -0.017 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001321842002 806677984 /nfs/dbraw/zinc/67/79/84/806677984.db2.gz KEDDPRJVHJUZJY-STQMWFEESA-N 2 1 309.414 -0.407 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001323519629 806883123 /nfs/dbraw/zinc/88/31/23/806883123.db2.gz PKGQQVSIIVGFBZ-LBPRGKRZSA-N 2 1 307.398 -0.651 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001324131082 806946301 /nfs/dbraw/zinc/94/63/01/806946301.db2.gz UAXNWICGGGMIPI-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324662812 806998279 /nfs/dbraw/zinc/99/82/79/806998279.db2.gz WHPBRJHKAARKMM-MRXNPFEDSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324662812 806998284 /nfs/dbraw/zinc/99/82/84/806998284.db2.gz WHPBRJHKAARKMM-MRXNPFEDSA-N 2 1 318.421 -0.588 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769859 807005512 /nfs/dbraw/zinc/00/55/12/807005512.db2.gz HEYMYFLTMYBYIF-CJNGLKHVSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCN(C(=O)C[N@H+](C)C1CCC1)C1CCN(CC(N)=O)CC1 ZINC001278157613 803761163 /nfs/dbraw/zinc/76/11/63/803761163.db2.gz PSXVLAJBFIFOIU-UHFFFAOYSA-N 2 1 320.437 -0.118 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278201402 803767899 /nfs/dbraw/zinc/76/78/99/803767899.db2.gz FZWWXUXTKNFKBK-HUUCEWRRSA-N 2 1 311.426 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278418205 803790034 /nfs/dbraw/zinc/79/00/34/803790034.db2.gz ZFYIKAGBGJZCPO-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP NC(=O)[C@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303984876 803835780 /nfs/dbraw/zinc/83/57/80/803835780.db2.gz SOKNNURORNICBH-LBPRGKRZSA-N 2 1 313.471 -0.063 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNS(=O)(=O)CC ZINC000303895455 803836464 /nfs/dbraw/zinc/83/64/64/803836464.db2.gz PMVGCDDHAKEKMB-NSHDSACASA-N 2 1 305.448 -0.686 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509605 803893706 /nfs/dbraw/zinc/89/37/06/803893706.db2.gz KQNIGGJPXUGTOG-MRXNPFEDSA-N 2 1 311.426 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509605 803893715 /nfs/dbraw/zinc/89/37/15/803893715.db2.gz KQNIGGJPXUGTOG-MRXNPFEDSA-N 2 1 311.426 -0.469 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001280457935 803960821 /nfs/dbraw/zinc/96/08/21/803960821.db2.gz FJYYPPSEYRKCOG-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001280565587 803980867 /nfs/dbraw/zinc/98/08/67/803980867.db2.gz FZMJKISLSSRADR-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001281193444 804119164 /nfs/dbraw/zinc/11/91/64/804119164.db2.gz SPEWRTCLQIFLHH-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001281193444 804119169 /nfs/dbraw/zinc/11/91/69/804119169.db2.gz SPEWRTCLQIFLHH-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281603665 804194648 /nfs/dbraw/zinc/19/46/48/804194648.db2.gz VRFQDANLHGWMAL-CQSZACIVSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281603665 804194650 /nfs/dbraw/zinc/19/46/50/804194650.db2.gz VRFQDANLHGWMAL-CQSZACIVSA-N 2 1 309.410 -0.717 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001281991127 804239904 /nfs/dbraw/zinc/23/99/04/804239904.db2.gz RSDPUQMQDZXZMB-BPCQOVAHSA-N 2 1 307.398 -0.795 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392172 804272364 /nfs/dbraw/zinc/27/23/64/804272364.db2.gz WXUFLAQYDNKOER-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392172 804272368 /nfs/dbraw/zinc/27/23/68/804272368.db2.gz WXUFLAQYDNKOER-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282392172 804272370 /nfs/dbraw/zinc/27/23/70/804272370.db2.gz WXUFLAQYDNKOER-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282392172 804272374 /nfs/dbraw/zinc/27/23/74/804272374.db2.gz WXUFLAQYDNKOER-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001282949043 804354645 /nfs/dbraw/zinc/35/46/45/804354645.db2.gz YUSGPCBDBZJBJV-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001282949043 804354653 /nfs/dbraw/zinc/35/46/53/804354653.db2.gz YUSGPCBDBZJBJV-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001282949043 804354661 /nfs/dbraw/zinc/35/46/61/804354661.db2.gz YUSGPCBDBZJBJV-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001282949043 804354668 /nfs/dbraw/zinc/35/46/68/804354668.db2.gz YUSGPCBDBZJBJV-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP COCC#CC[N@@H+](C)CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC001283422912 804504623 /nfs/dbraw/zinc/50/46/23/804504623.db2.gz TTZJOMBOYSEEGX-UHFFFAOYSA-N 2 1 323.437 -0.203 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C[C@H](O)COC ZINC001283617384 804539922 /nfs/dbraw/zinc/53/99/22/804539922.db2.gz HZAPLUCPOHJDEL-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C[C@H](O)COC ZINC001283617384 804539923 /nfs/dbraw/zinc/53/99/23/804539923.db2.gz HZAPLUCPOHJDEL-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001283983953 804617568 /nfs/dbraw/zinc/61/75/68/804617568.db2.gz AMCBMAGSWWJRAK-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284346107 804688178 /nfs/dbraw/zinc/68/81/78/804688178.db2.gz FTBXSBNPVZQIGL-KGLIPLIRSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001284449043 804710307 /nfs/dbraw/zinc/71/03/07/804710307.db2.gz ZHLLRPUFCYCVKR-DZGCQCFKSA-N 2 1 304.394 -0.204 20 30 DBEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001284877963 804782596 /nfs/dbraw/zinc/78/25/96/804782596.db2.gz JLSHXXYWXYZXIS-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001284877963 804782599 /nfs/dbraw/zinc/78/25/99/804782599.db2.gz JLSHXXYWXYZXIS-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001285661587 804938796 /nfs/dbraw/zinc/93/87/96/804938796.db2.gz HCWITUHRCVGPKO-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001285661587 804938798 /nfs/dbraw/zinc/93/87/98/804938798.db2.gz HCWITUHRCVGPKO-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C ZINC000826867187 805321770 /nfs/dbraw/zinc/32/17/70/805321770.db2.gz IKDBTSHTLGVZBL-AWEZNQCLSA-N 2 1 323.441 -0.297 20 30 DBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000890371366 807216101 /nfs/dbraw/zinc/21/61/01/807216101.db2.gz UBRPUXNVDISBAS-CQSZACIVSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000890371366 807216108 /nfs/dbraw/zinc/21/61/08/807216108.db2.gz UBRPUXNVDISBAS-CQSZACIVSA-N 2 1 308.426 -0.160 20 30 DBEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001327601900 807310401 /nfs/dbraw/zinc/31/04/01/807310401.db2.gz REMLQMNLSMTRID-UHFFFAOYSA-N 2 1 320.437 -0.342 20 30 DBEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001327596882 807310852 /nfs/dbraw/zinc/31/08/52/807310852.db2.gz YWBYUDPOPBQKLL-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001327944780 807360979 /nfs/dbraw/zinc/36/09/79/807360979.db2.gz TUIGAPBOIILCPJ-JSGCOSHPSA-N 2 1 317.393 -0.623 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C[C@H](O)COC)C1 ZINC001328870039 807480561 /nfs/dbraw/zinc/48/05/61/807480561.db2.gz XWSMWVKHKDGPHG-CKUJCDMFSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C[C@H](O)COC)C1 ZINC001328870039 807480562 /nfs/dbraw/zinc/48/05/62/807480562.db2.gz XWSMWVKHKDGPHG-CKUJCDMFSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001330429492 807712489 /nfs/dbraw/zinc/71/24/89/807712489.db2.gz OZJLEIHLCRDHDG-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001331225594 807780821 /nfs/dbraw/zinc/78/08/21/807780821.db2.gz HDAVDAFHOYWQBM-ZIAGYGMSSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332361027 807904784 /nfs/dbraw/zinc/90/47/84/807904784.db2.gz KHCVYFFPPBBTKA-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000931889280 807947531 /nfs/dbraw/zinc/94/75/31/807947531.db2.gz CORDLKJHTXROTD-CQSZACIVSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000931889280 807947534 /nfs/dbraw/zinc/94/75/34/807947534.db2.gz CORDLKJHTXROTD-CQSZACIVSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076364 809760537 /nfs/dbraw/zinc/76/05/37/809760537.db2.gz DVJSNQSIWVQUCV-ZFWWWQNUSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468064 809922293 /nfs/dbraw/zinc/92/22/93/809922293.db2.gz RCODHJRXCYHGQN-ZFWWWQNUSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC=C)C[C@@H]2O)CC1 ZINC000958723696 810012101 /nfs/dbraw/zinc/01/21/01/810012101.db2.gz IXGCXNLDQASRCV-HOTGVXAUSA-N 2 1 305.422 -0.074 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC=C)C[C@@H]2O)CC1 ZINC000958723695 810012213 /nfs/dbraw/zinc/01/22/13/810012213.db2.gz IXGCXNLDQASRCV-CVEARBPZSA-N 2 1 305.422 -0.074 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC)C[C@H]2O)CC1 ZINC000958724365 810013184 /nfs/dbraw/zinc/01/31/84/810013184.db2.gz OCYYJYSRJHNQBW-HZPDHXFCSA-N 2 1 323.437 -0.613 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284292 810260268 /nfs/dbraw/zinc/26/02/68/810260268.db2.gz SCQQYEANBJJDEC-VCAPWORMSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284292 810260271 /nfs/dbraw/zinc/26/02/71/810260271.db2.gz SCQQYEANBJJDEC-VCAPWORMSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284292 810260276 /nfs/dbraw/zinc/26/02/76/810260276.db2.gz SCQQYEANBJJDEC-VCAPWORMSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC)C[C@H]32)CC1 ZINC000962771643 810579702 /nfs/dbraw/zinc/57/97/02/810579702.db2.gz HOKDXEHXIIUDGV-FOLVSLTJSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC)C[C@H]32)CC1 ZINC000962771643 810579710 /nfs/dbraw/zinc/57/97/10/810579710.db2.gz HOKDXEHXIIUDGV-FOLVSLTJSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001016335885 813652840 /nfs/dbraw/zinc/65/28/40/813652840.db2.gz HAJCIDVXGGGNGA-HUUCEWRRSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001016335885 813652845 /nfs/dbraw/zinc/65/28/45/813652845.db2.gz HAJCIDVXGGGNGA-HUUCEWRRSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001018986187 814039311 /nfs/dbraw/zinc/03/93/11/814039311.db2.gz UXDHYBHQNRANKO-MJBXVCDLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001018986187 814039322 /nfs/dbraw/zinc/03/93/22/814039322.db2.gz UXDHYBHQNRANKO-MJBXVCDLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046850634 816961179 /nfs/dbraw/zinc/96/11/79/816961179.db2.gz YYBBTTUMFZNKBK-SUMWQHHRSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046850634 816961184 /nfs/dbraw/zinc/96/11/84/816961184.db2.gz YYBBTTUMFZNKBK-SUMWQHHRSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046850633 816961636 /nfs/dbraw/zinc/96/16/36/816961636.db2.gz YYBBTTUMFZNKBK-GUYCJALGSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001046850633 816961641 /nfs/dbraw/zinc/96/16/41/816961641.db2.gz YYBBTTUMFZNKBK-GUYCJALGSA-N 2 1 320.437 -0.214 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428208 817128381 /nfs/dbraw/zinc/12/83/81/817128381.db2.gz DOFUOHGSNXCEQO-CBBWQLFWSA-N 2 1 311.426 -0.215 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428208 817128388 /nfs/dbraw/zinc/12/83/88/817128388.db2.gz DOFUOHGSNXCEQO-CBBWQLFWSA-N 2 1 311.426 -0.215 20 30 DBEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428208 817128391 /nfs/dbraw/zinc/12/83/91/817128391.db2.gz DOFUOHGSNXCEQO-CBBWQLFWSA-N 2 1 311.426 -0.215 20 30 DBEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428208 817128399 /nfs/dbraw/zinc/12/83/99/817128399.db2.gz DOFUOHGSNXCEQO-CBBWQLFWSA-N 2 1 311.426 -0.215 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001048870270 817466368 /nfs/dbraw/zinc/46/63/68/817466368.db2.gz VPVIKMZZSNLJJI-JONQDZQNSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2C1 ZINC001048870270 817466370 /nfs/dbraw/zinc/46/63/70/817466370.db2.gz VPVIKMZZSNLJJI-JONQDZQNSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]2C1 ZINC001048870270 817466373 /nfs/dbraw/zinc/46/63/73/817466373.db2.gz VPVIKMZZSNLJJI-JONQDZQNSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@H](C)O)C[C@@H]2C1 ZINC001048870270 817466374 /nfs/dbraw/zinc/46/63/74/817466374.db2.gz VPVIKMZZSNLJJI-JONQDZQNSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001054296180 818099947 /nfs/dbraw/zinc/09/99/47/818099947.db2.gz KINLOUXLNWXSOB-KFWWJZLASA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001054296180 818099953 /nfs/dbraw/zinc/09/99/53/818099953.db2.gz KINLOUXLNWXSOB-KFWWJZLASA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719032 820534085 /nfs/dbraw/zinc/53/40/85/820534085.db2.gz PVNYFDQAZZCZDY-RRFJBIMHSA-N 2 1 315.421 -0.111 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@H](C)O)C2 ZINC001072822401 821022569 /nfs/dbraw/zinc/02/25/69/821022569.db2.gz FKAXJSQESZUCFW-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@H](C)O)C2 ZINC001072822401 821022577 /nfs/dbraw/zinc/02/25/77/821022577.db2.gz FKAXJSQESZUCFW-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)C2 ZINC001072822401 821022590 /nfs/dbraw/zinc/02/25/90/821022590.db2.gz FKAXJSQESZUCFW-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@H](C)O)C2 ZINC001072822401 821022600 /nfs/dbraw/zinc/02/26/00/821022600.db2.gz FKAXJSQESZUCFW-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128718 822000126 /nfs/dbraw/zinc/00/01/26/822000126.db2.gz BUJHBDVIHAZZOM-BZUAXINKSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128718 822000131 /nfs/dbraw/zinc/00/01/31/822000131.db2.gz BUJHBDVIHAZZOM-BZUAXINKSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128718 822000139 /nfs/dbraw/zinc/00/01/39/822000139.db2.gz BUJHBDVIHAZZOM-BZUAXINKSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128718 822000148 /nfs/dbraw/zinc/00/01/48/822000148.db2.gz BUJHBDVIHAZZOM-BZUAXINKSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418335 822106504 /nfs/dbraw/zinc/10/65/04/822106504.db2.gz NZWXTZNYPKMZGR-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418335 822106509 /nfs/dbraw/zinc/10/65/09/822106509.db2.gz NZWXTZNYPKMZGR-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418335 822106514 /nfs/dbraw/zinc/10/65/14/822106514.db2.gz NZWXTZNYPKMZGR-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077816984 822232029 /nfs/dbraw/zinc/23/20/29/822232029.db2.gz GQBZXTHDVUOYMP-HUUCEWRRSA-N 2 1 319.409 -0.757 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001078209970 823742944 /nfs/dbraw/zinc/74/29/44/823742944.db2.gz PBCFUDJYEYZOER-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209970 823742951 /nfs/dbraw/zinc/74/29/51/823742951.db2.gz PBCFUDJYEYZOER-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209970 823742954 /nfs/dbraw/zinc/74/29/54/823742954.db2.gz PBCFUDJYEYZOER-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001078209970 823742960 /nfs/dbraw/zinc/74/29/60/823742960.db2.gz PBCFUDJYEYZOER-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOC)C[C@H]2OC)CC1 ZINC001082383357 824433853 /nfs/dbraw/zinc/43/38/53/824433853.db2.gz UGBNPDZLUGIIOQ-HZPDHXFCSA-N 2 1 323.437 -0.207 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519610 824657927 /nfs/dbraw/zinc/65/79/27/824657927.db2.gz BUJHBDVIHAZZOM-PMPSAXMXSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519610 824657930 /nfs/dbraw/zinc/65/79/30/824657930.db2.gz BUJHBDVIHAZZOM-PMPSAXMXSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519610 824657934 /nfs/dbraw/zinc/65/79/34/824657934.db2.gz BUJHBDVIHAZZOM-PMPSAXMXSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519610 824657938 /nfs/dbraw/zinc/65/79/38/824657938.db2.gz BUJHBDVIHAZZOM-PMPSAXMXSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654958 824714031 /nfs/dbraw/zinc/71/40/31/824714031.db2.gz NZWXTZNYPKMZGR-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654958 824714036 /nfs/dbraw/zinc/71/40/36/824714036.db2.gz NZWXTZNYPKMZGR-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654958 824714038 /nfs/dbraw/zinc/71/40/38/824714038.db2.gz NZWXTZNYPKMZGR-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405687 828688760 /nfs/dbraw/zinc/68/87/60/828688760.db2.gz YHVNSGWDTJWZAZ-XUWVNRHRSA-N 2 1 315.421 -0.117 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405687 828688762 /nfs/dbraw/zinc/68/87/62/828688762.db2.gz YHVNSGWDTJWZAZ-XUWVNRHRSA-N 2 1 315.421 -0.117 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085229899 825004453 /nfs/dbraw/zinc/00/44/53/825004453.db2.gz PLESTUKTOAUGTD-MCIONIFRSA-N 2 1 306.410 -0.414 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(N)=O ZINC001085229899 825004459 /nfs/dbraw/zinc/00/44/59/825004459.db2.gz PLESTUKTOAUGTD-MCIONIFRSA-N 2 1 306.410 -0.414 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794416 828743772 /nfs/dbraw/zinc/74/37/72/828743772.db2.gz INEBREYXSGNORW-BFJAYTPKSA-N 2 1 320.437 -0.632 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114794416 828743774 /nfs/dbraw/zinc/74/37/74/828743774.db2.gz INEBREYXSGNORW-BFJAYTPKSA-N 2 1 320.437 -0.632 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086110115 825179435 /nfs/dbraw/zinc/17/94/35/825179435.db2.gz UFJKYKOEUUWWHV-XGUBFFRZSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086110115 825179437 /nfs/dbraw/zinc/17/94/37/825179437.db2.gz UFJKYKOEUUWWHV-XGUBFFRZSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086389605 825246677 /nfs/dbraw/zinc/24/66/77/825246677.db2.gz SXPNNHAWVHKCGH-SYQHCUMBSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086389605 825246684 /nfs/dbraw/zinc/24/66/84/825246684.db2.gz SXPNNHAWVHKCGH-SYQHCUMBSA-N 2 1 306.410 -0.558 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090271460 825617678 /nfs/dbraw/zinc/61/76/78/825617678.db2.gz IODIIQJPHLCALF-DZGCQCFKSA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243518 828814204 /nfs/dbraw/zinc/81/42/04/828814204.db2.gz PHBFJUIMUNKQNJ-NYTXWWLZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001115271690 828821701 /nfs/dbraw/zinc/82/17/01/828821701.db2.gz MQQXRWFEAGOECW-QXSJWSMHSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001115271690 828821708 /nfs/dbraw/zinc/82/17/08/828821708.db2.gz MQQXRWFEAGOECW-QXSJWSMHSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115271690 828821716 /nfs/dbraw/zinc/82/17/16/828821716.db2.gz MQQXRWFEAGOECW-QXSJWSMHSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001115271690 828821723 /nfs/dbraw/zinc/82/17/23/828821723.db2.gz MQQXRWFEAGOECW-QXSJWSMHSA-N 2 1 323.437 -0.044 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115304886 828827600 /nfs/dbraw/zinc/82/76/00/828827600.db2.gz WQCVKKIXFOXZEY-VIKVFOODSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115304886 828827609 /nfs/dbraw/zinc/82/76/09/828827609.db2.gz WQCVKKIXFOXZEY-VIKVFOODSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304886 828827617 /nfs/dbraw/zinc/82/76/17/828827617.db2.gz WQCVKKIXFOXZEY-VIKVFOODSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115304886 828827628 /nfs/dbraw/zinc/82/76/28/828827628.db2.gz WQCVKKIXFOXZEY-VIKVFOODSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)C[C@@H]2O)CC1 ZINC001090830900 825863583 /nfs/dbraw/zinc/86/35/83/825863583.db2.gz QNRFBLGUUBGKNC-CVEARBPZSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)C[C@@H]2O)CC1 ZINC001090830900 825863588 /nfs/dbraw/zinc/86/35/88/825863588.db2.gz QNRFBLGUUBGKNC-CVEARBPZSA-N 2 1 303.406 -0.484 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001274034277 833009365 /nfs/dbraw/zinc/00/93/65/833009365.db2.gz CJBILLDRSUHACN-OOPLNXAUSA-N 2 1 321.425 -0.382 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274367797 833069518 /nfs/dbraw/zinc/06/95/18/833069518.db2.gz GRLQQUMXPPKDIP-LUNKNMTDSA-N 2 1 320.437 -0.272 20 30 DBEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)(COC)CC1 ZINC001162187918 833080489 /nfs/dbraw/zinc/08/04/89/833080489.db2.gz JDVYQIPYZSDXQD-OAHLLOKOSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)(COC)CC1 ZINC001162187918 833080496 /nfs/dbraw/zinc/08/04/96/833080496.db2.gz JDVYQIPYZSDXQD-OAHLLOKOSA-N 2 1 323.437 -0.205 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918965 826727936 /nfs/dbraw/zinc/72/79/36/826727936.db2.gz UPYALWNLFQQSRA-LSDHHAIUSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918965 826727938 /nfs/dbraw/zinc/72/79/38/826727938.db2.gz UPYALWNLFQQSRA-LSDHHAIUSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001274579247 833103974 /nfs/dbraw/zinc/10/39/74/833103974.db2.gz TWMJTUFWFSQGFR-BEVHLOIGSA-N 2 1 308.426 -0.109 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971975 826751773 /nfs/dbraw/zinc/75/17/73/826751773.db2.gz PBMGNSMPUNWUFX-CABCVRRESA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971975 826751780 /nfs/dbraw/zinc/75/17/80/826751780.db2.gz PBMGNSMPUNWUFX-CABCVRRESA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973331 826752157 /nfs/dbraw/zinc/75/21/57/826752157.db2.gz BEKZGTPMCGEYCH-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973331 826752160 /nfs/dbraw/zinc/75/21/60/826752160.db2.gz BEKZGTPMCGEYCH-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274555707 833099669 /nfs/dbraw/zinc/09/96/69/833099669.db2.gz ZFQYFEXIUNCNTE-DOTOQJQBSA-N 2 1 323.437 -0.374 20 30 DBEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037114 826787515 /nfs/dbraw/zinc/78/75/15/826787515.db2.gz UEZFRXZVRLFJLQ-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037114 826787517 /nfs/dbraw/zinc/78/75/17/826787517.db2.gz UEZFRXZVRLFJLQ-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056061 826801517 /nfs/dbraw/zinc/80/15/17/826801517.db2.gz NTTCYDIYQTVQLQ-GJZGRUSLSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056061 826801526 /nfs/dbraw/zinc/80/15/26/826801526.db2.gz NTTCYDIYQTVQLQ-GJZGRUSLSA-N 2 1 309.410 -0.718 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100185947 826905989 /nfs/dbraw/zinc/90/59/89/826905989.db2.gz TZGUVOXNXCPRAO-RUXDESIVSA-N 2 1 308.426 -0.133 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212232 826912209 /nfs/dbraw/zinc/91/22/09/826912209.db2.gz UFTXBFZSKRUGDN-JXQTWKCFSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212232 826912214 /nfs/dbraw/zinc/91/22/14/826912214.db2.gz UFTXBFZSKRUGDN-JXQTWKCFSA-N 2 1 324.425 -0.896 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC)C1 ZINC001100415155 826961210 /nfs/dbraw/zinc/96/12/10/826961210.db2.gz AUVJKEQPVZYPQQ-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC)C1 ZINC001100415155 826961214 /nfs/dbraw/zinc/96/12/14/826961214.db2.gz AUVJKEQPVZYPQQ-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438083 826964837 /nfs/dbraw/zinc/96/48/37/826964837.db2.gz OMHBSDIARXYBBX-PRLABOORSA-N 2 1 323.437 -0.160 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438083 826964843 /nfs/dbraw/zinc/96/48/43/826964843.db2.gz OMHBSDIARXYBBX-PRLABOORSA-N 2 1 323.437 -0.160 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758833 827016694 /nfs/dbraw/zinc/01/66/94/827016694.db2.gz QLDDAWREXOQQOI-UHFFFAOYSA-N 2 1 323.437 -0.157 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100829623 827030994 /nfs/dbraw/zinc/03/09/94/827030994.db2.gz DBCOBKBZURMEHH-UHFFFAOYSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001100872960 827039678 /nfs/dbraw/zinc/03/96/78/827039678.db2.gz PMOJPZKVPMPMBK-NFOMZHRRSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@]2(C)C1 ZINC001101351744 827101451 /nfs/dbraw/zinc/10/14/51/827101451.db2.gz MFMUDBSUTXCTCA-PBHICJAKSA-N 2 1 320.437 -0.532 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001275094107 833150664 /nfs/dbraw/zinc/15/06/64/833150664.db2.gz LVDBVUGPFCBNTN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001275094107 833150673 /nfs/dbraw/zinc/15/06/73/833150673.db2.gz LVDBVUGPFCBNTN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001275094107 833150674 /nfs/dbraw/zinc/15/06/74/833150674.db2.gz LVDBVUGPFCBNTN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001275094107 833150676 /nfs/dbraw/zinc/15/06/76/833150676.db2.gz LVDBVUGPFCBNTN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1cnn(CC)n1 ZINC001275184984 833156106 /nfs/dbraw/zinc/15/61/06/833156106.db2.gz MBTFRAKGZBJUSJ-ZFWWWQNUSA-N 2 1 318.425 -0.010 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CCC[NH+](C)C ZINC001102290732 827194926 /nfs/dbraw/zinc/19/49/26/827194926.db2.gz SQJDWSKOXDSBFW-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320593 827198588 /nfs/dbraw/zinc/19/85/88/827198588.db2.gz KCXYOIVGLBXYIV-QLFBSQMISA-N 2 1 322.453 -0.240 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578277 827226832 /nfs/dbraw/zinc/22/68/32/827226832.db2.gz TXWYYRMYFCGXRU-RBSFLKMASA-N 2 1 322.453 -0.076 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578277 827226837 /nfs/dbraw/zinc/22/68/37/827226837.db2.gz TXWYYRMYFCGXRU-RBSFLKMASA-N 2 1 322.453 -0.076 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578277 827226845 /nfs/dbraw/zinc/22/68/45/827226845.db2.gz TXWYYRMYFCGXRU-RBSFLKMASA-N 2 1 322.453 -0.076 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104306167 827341436 /nfs/dbraw/zinc/34/14/36/827341436.db2.gz OMCGNDGSQUQEPZ-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(N)=O)C1 ZINC001104306167 827341446 /nfs/dbraw/zinc/34/14/46/827341446.db2.gz OMCGNDGSQUQEPZ-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001105360794 827438677 /nfs/dbraw/zinc/43/86/77/827438677.db2.gz IXMDPOPLFYTGLK-UHFFFAOYSA-N 2 1 322.413 -0.485 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001275729437 833204512 /nfs/dbraw/zinc/20/45/12/833204512.db2.gz MIAMRQCJPMUHFH-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001275729437 833204516 /nfs/dbraw/zinc/20/45/16/833204516.db2.gz MIAMRQCJPMUHFH-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001275729435 833204763 /nfs/dbraw/zinc/20/47/63/833204763.db2.gz MIAMRQCJPMUHFH-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001275729435 833204771 /nfs/dbraw/zinc/20/47/71/833204771.db2.gz MIAMRQCJPMUHFH-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164450075 833210658 /nfs/dbraw/zinc/21/06/58/833210658.db2.gz XOKSSXYGHFBZTL-CQSZACIVSA-N 2 1 323.441 -0.156 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577793 833221527 /nfs/dbraw/zinc/22/15/27/833221527.db2.gz SKSVTUZAUKTZBC-ZNMIVQPWSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106266707 827646710 /nfs/dbraw/zinc/64/67/10/827646710.db2.gz YTWCYIQAUAUQTB-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(N)=O)[C@H](C)C1 ZINC001106266707 827646712 /nfs/dbraw/zinc/64/67/12/827646712.db2.gz YTWCYIQAUAUQTB-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001106909027 827684569 /nfs/dbraw/zinc/68/45/69/827684569.db2.gz AMASNEPMSXAXDL-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC)CC1 ZINC001276010288 833234139 /nfs/dbraw/zinc/23/41/39/833234139.db2.gz FWMZCJLIPCDGPX-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001276012778 833234885 /nfs/dbraw/zinc/23/48/85/833234885.db2.gz SWRXTTQTEPDTJQ-DZGCQCFKSA-N 2 1 320.437 -0.343 20 30 DBEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277267 828253212 /nfs/dbraw/zinc/25/32/12/828253212.db2.gz IYVJIUGIEWSNGV-OAGGEKHMSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277267 828253214 /nfs/dbraw/zinc/25/32/14/828253214.db2.gz IYVJIUGIEWSNGV-OAGGEKHMSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001117532326 828989341 /nfs/dbraw/zinc/98/93/41/828989341.db2.gz BUYAQCZQHYVLMU-HZPDHXFCSA-N 2 1 305.422 -0.001 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176072591 833400093 /nfs/dbraw/zinc/40/00/93/833400093.db2.gz ZMRZCVRPEKVNQS-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP C=CCNC(NCCn1cncn1)=[NH+]CCC[NH+]1CCOCC1 ZINC001120549463 829395375 /nfs/dbraw/zinc/39/53/75/829395375.db2.gz GDXWMJOUJQVLGZ-UHFFFAOYSA-N 2 1 321.429 -0.278 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001276180125 833409640 /nfs/dbraw/zinc/40/96/40/833409640.db2.gz SPKGYPHQWQVHMV-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127679237 830023761 /nfs/dbraw/zinc/02/37/61/830023761.db2.gz KLKGSYOCKBZCOR-GFCCVEGCSA-N 2 1 320.397 -0.258 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129204421 830157987 /nfs/dbraw/zinc/15/79/87/830157987.db2.gz DXAOUATYAVHKBW-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337706 830173699 /nfs/dbraw/zinc/17/36/99/830173699.db2.gz VDRYSQIKUNNXFA-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](n2ccnn2)C1 ZINC001129337706 830173703 /nfs/dbraw/zinc/17/37/03/830173703.db2.gz VDRYSQIKUNNXFA-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129341380 830173838 /nfs/dbraw/zinc/17/38/38/830173838.db2.gz TYAQHZGRFJCQBJ-CQSZACIVSA-N 2 1 310.442 -0.028 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC=C)C1=O ZINC001129770883 830208296 /nfs/dbraw/zinc/20/82/96/830208296.db2.gz MQAMQMNQRAARDO-GJZGRUSLSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC=C)C1=O ZINC001129770883 830208298 /nfs/dbraw/zinc/20/82/98/830208298.db2.gz MQAMQMNQRAARDO-GJZGRUSLSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)nnn1CC ZINC001129770072 830208424 /nfs/dbraw/zinc/20/84/24/830208424.db2.gz ADTWQOVJOSNBQK-AWEZNQCLSA-N 2 1 318.425 -0.090 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1c(C)nnn1CC ZINC001129770072 830208428 /nfs/dbraw/zinc/20/84/28/830208428.db2.gz ADTWQOVJOSNBQK-AWEZNQCLSA-N 2 1 318.425 -0.090 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CC ZINC001129771078 830208452 /nfs/dbraw/zinc/20/84/52/830208452.db2.gz QIKOBMXHWYKDKN-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)CC ZINC001129771078 830208458 /nfs/dbraw/zinc/20/84/58/830208458.db2.gz QIKOBMXHWYKDKN-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001129770544 830208579 /nfs/dbraw/zinc/20/85/79/830208579.db2.gz HZYPREZQRVDAHV-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCC1=O ZINC001129770544 830208584 /nfs/dbraw/zinc/20/85/84/830208584.db2.gz HZYPREZQRVDAHV-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123344 830268521 /nfs/dbraw/zinc/26/85/21/830268521.db2.gz OECSNKZLOKLBKH-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130710802 830368845 /nfs/dbraw/zinc/36/88/45/830368845.db2.gz FOJWWDVWZCOIBU-CYBMUJFWSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272948 830619262 /nfs/dbraw/zinc/61/92/62/830619262.db2.gz CJNIGUYBPUCNMD-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272948 830619265 /nfs/dbraw/zinc/61/92/65/830619265.db2.gz CJNIGUYBPUCNMD-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC001133866944 830842744 /nfs/dbraw/zinc/84/27/44/830842744.db2.gz QAMIFAVVLNBKID-KGLIPLIRSA-N 2 1 323.441 -0.348 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869711 830843848 /nfs/dbraw/zinc/84/38/48/830843848.db2.gz JXZJSJFFTZQGOA-ZDUSSCGKSA-N 2 1 319.409 -0.238 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC001134723748 830971411 /nfs/dbraw/zinc/97/14/11/830971411.db2.gz UJMOKROEDPVMRA-UHFFFAOYSA-N 2 1 319.409 -0.148 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135029642 831001124 /nfs/dbraw/zinc/00/11/24/831001124.db2.gz PUSJHBZIGAXRBQ-VXGBXAGGSA-N 2 1 320.397 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095655 831009357 /nfs/dbraw/zinc/00/93/57/831009357.db2.gz MYEUARJKBYBGLE-UONOGXRCSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333312 831276799 /nfs/dbraw/zinc/27/67/99/831276799.db2.gz NRGGEMPHTWPNIH-OLZOCXBDSA-N 2 1 319.409 -0.186 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146592291 831285560 /nfs/dbraw/zinc/28/55/60/831285560.db2.gz IZRFFDIOIIXJMP-CHWSQXEVSA-N 2 1 311.430 -0.161 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001147876952 831413463 /nfs/dbraw/zinc/41/34/63/831413463.db2.gz AERPFXVBBGODTI-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508525 831624210 /nfs/dbraw/zinc/62/42/10/831624210.db2.gz VHLYAMMEEYTGGD-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@H+]1CCCO[C@@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508525 831624213 /nfs/dbraw/zinc/62/42/13/831624213.db2.gz VHLYAMMEEYTGGD-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC001151740930 831706896 /nfs/dbraw/zinc/70/68/96/831706896.db2.gz ZOFOBNUVTJYRSI-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC001151740930 831706902 /nfs/dbraw/zinc/70/69/02/831706902.db2.gz ZOFOBNUVTJYRSI-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392793 831746666 /nfs/dbraw/zinc/74/66/66/831746666.db2.gz UFZPVMGNSUTOHM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152392793 831746672 /nfs/dbraw/zinc/74/66/72/831746672.db2.gz UFZPVMGNSUTOHM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152392793 831746678 /nfs/dbraw/zinc/74/66/78/831746678.db2.gz UFZPVMGNSUTOHM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152392793 831746685 /nfs/dbraw/zinc/74/66/85/831746685.db2.gz UFZPVMGNSUTOHM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152458619 831753244 /nfs/dbraw/zinc/75/32/44/831753244.db2.gz RRZIALYABGTWGT-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824060 831838438 /nfs/dbraw/zinc/83/84/38/831838438.db2.gz JCZUAXQESRZHQZ-DOMZBBRYSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824060 831838442 /nfs/dbraw/zinc/83/84/42/831838442.db2.gz JCZUAXQESRZHQZ-DOMZBBRYSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033851 831858627 /nfs/dbraw/zinc/85/86/27/831858627.db2.gz OZCLLIGOAMRMDF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C ZINC001154033851 831858633 /nfs/dbraw/zinc/85/86/33/831858633.db2.gz OZCLLIGOAMRMDF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001154033851 831858640 /nfs/dbraw/zinc/85/86/40/831858640.db2.gz OZCLLIGOAMRMDF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001154033851 831858646 /nfs/dbraw/zinc/85/86/46/831858646.db2.gz OZCLLIGOAMRMDF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226871 831922749 /nfs/dbraw/zinc/92/27/49/831922749.db2.gz PVZHNVDSFFFZFB-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@@H]1C ZINC001155226871 831922751 /nfs/dbraw/zinc/92/27/51/831922751.db2.gz PVZHNVDSFFFZFB-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001155226871 831922754 /nfs/dbraw/zinc/92/27/54/831922754.db2.gz PVZHNVDSFFFZFB-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001155226871 831922757 /nfs/dbraw/zinc/92/27/57/831922757.db2.gz PVZHNVDSFFFZFB-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001156146007 831972389 /nfs/dbraw/zinc/97/23/89/831972389.db2.gz RSNAXHIRKNRBAD-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001156146007 831972392 /nfs/dbraw/zinc/97/23/92/831972392.db2.gz RSNAXHIRKNRBAD-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+](C)CCC ZINC001156525178 831988916 /nfs/dbraw/zinc/98/89/16/831988916.db2.gz GWZCSRFNIMKGLG-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)CCC ZINC001156525178 831988917 /nfs/dbraw/zinc/98/89/17/831988917.db2.gz GWZCSRFNIMKGLG-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156525178 831988918 /nfs/dbraw/zinc/98/89/18/831988918.db2.gz GWZCSRFNIMKGLG-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)CCC ZINC001156525178 831988919 /nfs/dbraw/zinc/98/89/19/831988919.db2.gz GWZCSRFNIMKGLG-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP CC[C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403213 832427900 /nfs/dbraw/zinc/42/79/00/832427900.db2.gz UGKOGETWZCWKNJ-ZIAGYGMSSA-N 2 1 323.441 -0.017 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001271206092 832639079 /nfs/dbraw/zinc/63/90/79/832639079.db2.gz AUJVRYVIRUNRSJ-LLVKDONJSA-N 2 1 306.370 -0.732 20 30 DBEDMP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311250 832655588 /nfs/dbraw/zinc/65/55/88/832655588.db2.gz LAOVMOKZNVMICI-UONOGXRCSA-N 2 1 323.441 -0.302 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001271436217 832667965 /nfs/dbraw/zinc/66/79/65/832667965.db2.gz LHUCYEZVOZLRCH-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277020320 833920182 /nfs/dbraw/zinc/92/01/82/833920182.db2.gz OBCBPQDGEYRMFL-QWHCGFSZSA-N 2 1 306.410 -0.543 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001273010963 832864616 /nfs/dbraw/zinc/86/46/16/832864616.db2.gz YIJNPRHBPNXSGU-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001178902178 833528342 /nfs/dbraw/zinc/52/83/42/833528342.db2.gz DKCWUBGEVKCVGH-JSGCOSHPSA-N 2 1 321.425 -0.311 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925549 833563671 /nfs/dbraw/zinc/56/36/71/833563671.db2.gz QLBIUULUKVHCBZ-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001183040565 833704467 /nfs/dbraw/zinc/70/44/67/833704467.db2.gz SWWWMEUMOAYLRY-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001183354153 833714628 /nfs/dbraw/zinc/71/46/28/833714628.db2.gz RZPKYGHCXOWIRY-CABCVRRESA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001183354153 833714631 /nfs/dbraw/zinc/71/46/31/833714631.db2.gz RZPKYGHCXOWIRY-CABCVRRESA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001183760319 833735766 /nfs/dbraw/zinc/73/57/66/833735766.db2.gz TXVHPWWXLQTQIE-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001276995360 833918253 /nfs/dbraw/zinc/91/82/53/833918253.db2.gz FAPOGDQQQWCEPY-AJNGGQMLSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](CC)C(N)=O)C1 ZINC001276995360 833918258 /nfs/dbraw/zinc/91/82/58/833918258.db2.gz FAPOGDQQQWCEPY-AJNGGQMLSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277224636 833934564 /nfs/dbraw/zinc/93/45/64/833934564.db2.gz KKZHAEBEIAXXKP-KGLIPLIRSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277676972 833982802 /nfs/dbraw/zinc/98/28/02/833982802.db2.gz FBACIFKYXALOKI-HUUCEWRRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389146 834072710 /nfs/dbraw/zinc/07/27/10/834072710.db2.gz HOGXVAHCFDKEPH-ZIAGYGMSSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389146 834072719 /nfs/dbraw/zinc/07/27/19/834072719.db2.gz HOGXVAHCFDKEPH-ZIAGYGMSSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389146 834072732 /nfs/dbraw/zinc/07/27/32/834072732.db2.gz HOGXVAHCFDKEPH-ZIAGYGMSSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389146 834072739 /nfs/dbraw/zinc/07/27/39/834072739.db2.gz HOGXVAHCFDKEPH-ZIAGYGMSSA-N 2 1 306.410 -0.637 20 30 DBEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353611 834362490 /nfs/dbraw/zinc/36/24/90/834362490.db2.gz FUDRFKWWSBEZNG-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353611 834362499 /nfs/dbraw/zinc/36/24/99/834362499.db2.gz FUDRFKWWSBEZNG-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353611 834362508 /nfs/dbraw/zinc/36/25/08/834362508.db2.gz FUDRFKWWSBEZNG-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353611 834362518 /nfs/dbraw/zinc/36/25/18/834362518.db2.gz FUDRFKWWSBEZNG-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192387677 834367742 /nfs/dbraw/zinc/36/77/42/834367742.db2.gz XYYJGQHDVQBYGC-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192387677 834367751 /nfs/dbraw/zinc/36/77/51/834367751.db2.gz XYYJGQHDVQBYGC-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@H]1CCN[C@H](C#N)C1)C2 ZINC001246674609 834446985 /nfs/dbraw/zinc/44/69/85/834446985.db2.gz SEPSTFGXXBDHAN-TXYIGXEZSA-N 2 1 318.421 -0.039 20 30 DBEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@H]3CCN[C@H](C#N)C3)C[C@H]1C2 ZINC001246859653 834458306 /nfs/dbraw/zinc/45/83/06/834458306.db2.gz QGXDPUHCHPGNOF-TXYIGXEZSA-N 2 1 318.421 -0.039 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461590 834499469 /nfs/dbraw/zinc/49/94/69/834499469.db2.gz HCZWLZMVOXPJNK-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461590 834499475 /nfs/dbraw/zinc/49/94/75/834499475.db2.gz HCZWLZMVOXPJNK-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193461590 834499478 /nfs/dbraw/zinc/49/94/78/834499478.db2.gz HCZWLZMVOXPJNK-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193461590 834499483 /nfs/dbraw/zinc/49/94/83/834499483.db2.gz HCZWLZMVOXPJNK-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461238 834499627 /nfs/dbraw/zinc/49/96/27/834499627.db2.gz GWOUWXFPMURDJX-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461238 834499634 /nfs/dbraw/zinc/49/96/34/834499634.db2.gz GWOUWXFPMURDJX-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193461238 834499638 /nfs/dbraw/zinc/49/96/38/834499638.db2.gz GWOUWXFPMURDJX-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193461238 834499647 /nfs/dbraw/zinc/49/96/47/834499647.db2.gz GWOUWXFPMURDJX-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154032 834571017 /nfs/dbraw/zinc/57/10/17/834571017.db2.gz JFEMBEYXGLUYSD-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154032 834571020 /nfs/dbraw/zinc/57/10/20/834571020.db2.gz JFEMBEYXGLUYSD-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@H+](C)CC#CCOC)C2)C1 ZINC001194154032 834571031 /nfs/dbraw/zinc/57/10/31/834571031.db2.gz JFEMBEYXGLUYSD-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC#CCOC)C2)C1 ZINC001194154032 834571038 /nfs/dbraw/zinc/57/10/38/834571038.db2.gz JFEMBEYXGLUYSD-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154035 834572066 /nfs/dbraw/zinc/57/20/66/834572066.db2.gz JFEMBEYXGLUYSD-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154035 834572069 /nfs/dbraw/zinc/57/20/69/834572069.db2.gz JFEMBEYXGLUYSD-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@H+](C)CC#CCOC)C2)C1 ZINC001194154035 834572071 /nfs/dbraw/zinc/57/20/71/834572071.db2.gz JFEMBEYXGLUYSD-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@H]([N@@H+](C)CC#CCOC)C2)C1 ZINC001194154035 834572073 /nfs/dbraw/zinc/57/20/73/834572073.db2.gz JFEMBEYXGLUYSD-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001198870069 834975406 /nfs/dbraw/zinc/97/54/06/834975406.db2.gz HJSSSSAJGPIICA-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001198870069 834975412 /nfs/dbraw/zinc/97/54/12/834975412.db2.gz HJSSSSAJGPIICA-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001198870069 834975417 /nfs/dbraw/zinc/97/54/17/834975417.db2.gz HJSSSSAJGPIICA-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001198870069 834975425 /nfs/dbraw/zinc/97/54/25/834975425.db2.gz HJSSSSAJGPIICA-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC(=O)NCC#N ZINC001264186260 835018677 /nfs/dbraw/zinc/01/86/77/835018677.db2.gz VJZKNIZKJLGBAI-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@@H+](C)CC(=O)NCC#N ZINC001264186260 835018689 /nfs/dbraw/zinc/01/86/89/835018689.db2.gz VJZKNIZKJLGBAI-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001264439367 835032060 /nfs/dbraw/zinc/03/20/60/835032060.db2.gz PFVSKBZPRSBHGQ-AVGNSLFASA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)N(C)C ZINC001264996648 835066360 /nfs/dbraw/zinc/06/63/60/835066360.db2.gz MYHNIRVYZMBRAE-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)C(=O)N(C)C ZINC001264996648 835066371 /nfs/dbraw/zinc/06/63/71/835066371.db2.gz MYHNIRVYZMBRAE-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001264996648 835066384 /nfs/dbraw/zinc/06/63/84/835066384.db2.gz MYHNIRVYZMBRAE-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)N(C)C ZINC001264996648 835066393 /nfs/dbraw/zinc/06/63/93/835066393.db2.gz MYHNIRVYZMBRAE-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)N(C)C ZINC001264996650 835067276 /nfs/dbraw/zinc/06/72/76/835067276.db2.gz MYHNIRVYZMBRAE-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)N(C)C ZINC001264996650 835067289 /nfs/dbraw/zinc/06/72/89/835067289.db2.gz MYHNIRVYZMBRAE-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001264996650 835067299 /nfs/dbraw/zinc/06/72/99/835067299.db2.gz MYHNIRVYZMBRAE-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)N(C)C ZINC001264996650 835067311 /nfs/dbraw/zinc/06/73/11/835067311.db2.gz MYHNIRVYZMBRAE-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943492 835073969 /nfs/dbraw/zinc/07/39/69/835073969.db2.gz LICHMSLURATUJV-CQSZACIVSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943492 835073980 /nfs/dbraw/zinc/07/39/80/835073980.db2.gz LICHMSLURATUJV-CQSZACIVSA-N 2 1 324.425 -0.800 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200123020 835095795 /nfs/dbraw/zinc/09/57/95/835095795.db2.gz KHZVGKSRHHXUOB-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP N#CCN1CC[NH+](CCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001265243274 835113469 /nfs/dbraw/zinc/11/34/69/835113469.db2.gz LXXJIGMVQAXHLF-MRXNPFEDSA-N 2 1 319.453 -0.024 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265320143 835130701 /nfs/dbraw/zinc/13/07/01/835130701.db2.gz YIRSWOQQGUZFOS-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265320143 835130705 /nfs/dbraw/zinc/13/07/05/835130705.db2.gz YIRSWOQQGUZFOS-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320143 835130711 /nfs/dbraw/zinc/13/07/11/835130711.db2.gz YIRSWOQQGUZFOS-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320143 835130715 /nfs/dbraw/zinc/13/07/15/835130715.db2.gz YIRSWOQQGUZFOS-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265436216 835140988 /nfs/dbraw/zinc/14/09/88/835140988.db2.gz BRBNRXUIUGPBTG-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265454052 835142964 /nfs/dbraw/zinc/14/29/64/835142964.db2.gz DOKUKVZABBONFZ-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265478404 835146315 /nfs/dbraw/zinc/14/63/15/835146315.db2.gz BURGTKDNXSKEQM-KJWHEZOQSA-N 2 1 320.437 -0.299 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCO1 ZINC001200722473 835148740 /nfs/dbraw/zinc/14/87/40/835148740.db2.gz XWFYIHLXRRQQLA-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCCO1 ZINC001200722473 835148743 /nfs/dbraw/zinc/14/87/43/835148743.db2.gz XWFYIHLXRRQQLA-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200796524 835152630 /nfs/dbraw/zinc/15/26/30/835152630.db2.gz ZNPTWIRAWKXCAK-RBSFLKMASA-N 2 1 309.410 -0.454 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200796524 835152634 /nfs/dbraw/zinc/15/26/34/835152634.db2.gz ZNPTWIRAWKXCAK-RBSFLKMASA-N 2 1 309.410 -0.454 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265558311 835153407 /nfs/dbraw/zinc/15/34/07/835153407.db2.gz UVUAEMSWDNBFGA-ZQDZILKHSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCCO1 ZINC001201245240 835177790 /nfs/dbraw/zinc/17/77/90/835177790.db2.gz DXINPAOSGRYTLM-HOTGVXAUSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCO1 ZINC001201245240 835177795 /nfs/dbraw/zinc/17/77/95/835177795.db2.gz DXINPAOSGRYTLM-HOTGVXAUSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001265923433 835199475 /nfs/dbraw/zinc/19/94/75/835199475.db2.gz QUDVQGPVHTZORO-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923433 835199480 /nfs/dbraw/zinc/19/94/80/835199480.db2.gz QUDVQGPVHTZORO-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001265923433 835199482 /nfs/dbraw/zinc/19/94/82/835199482.db2.gz QUDVQGPVHTZORO-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265967804 835210638 /nfs/dbraw/zinc/21/06/38/835210638.db2.gz YUEYAWZTFRIBSY-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265967804 835210644 /nfs/dbraw/zinc/21/06/44/835210644.db2.gz YUEYAWZTFRIBSY-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266028748 835218649 /nfs/dbraw/zinc/21/86/49/835218649.db2.gz CNLXURQSQUNQEZ-CABCVRRESA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154604 835239628 /nfs/dbraw/zinc/23/96/28/835239628.db2.gz CJQDYCJSSLNCSQ-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202504899 835251779 /nfs/dbraw/zinc/25/17/79/835251779.db2.gz WRFGQAWJARUDNP-OCCSQVGLSA-N 2 1 321.425 -0.596 20 30 DBEDMP COCC#CC[N@@H+](C)CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC001266335112 835281926 /nfs/dbraw/zinc/28/19/26/835281926.db2.gz ITFVWWQVCSRNLR-UHFFFAOYSA-N 2 1 321.425 -0.244 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266349714 835288955 /nfs/dbraw/zinc/28/89/55/835288955.db2.gz LHTXGGMWQHDJQC-OAHLLOKOSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266349714 835288962 /nfs/dbraw/zinc/28/89/62/835288962.db2.gz LHTXGGMWQHDJQC-OAHLLOKOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266352700 835289120 /nfs/dbraw/zinc/28/91/20/835289120.db2.gz GKHBEHMPUVHVOS-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266352700 835289127 /nfs/dbraw/zinc/28/91/27/835289127.db2.gz GKHBEHMPUVHVOS-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352700 835289132 /nfs/dbraw/zinc/28/91/32/835289132.db2.gz GKHBEHMPUVHVOS-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352700 835289139 /nfs/dbraw/zinc/28/91/39/835289139.db2.gz GKHBEHMPUVHVOS-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266612441 835345300 /nfs/dbraw/zinc/34/53/00/835345300.db2.gz RUXWNIXCQCYVIG-AVGNSLFASA-N 2 1 307.398 -0.653 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001266667047 835355808 /nfs/dbraw/zinc/35/58/08/835355808.db2.gz NOHAWNFCMKJYMU-KBPBESRZSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001266667047 835355816 /nfs/dbraw/zinc/35/58/16/835355816.db2.gz NOHAWNFCMKJYMU-KBPBESRZSA-N 2 1 324.425 -0.848 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266723333 835368862 /nfs/dbraw/zinc/36/88/62/835368862.db2.gz BTCDGIGLRXHDTC-MCIONIFRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266778085 835380874 /nfs/dbraw/zinc/38/08/74/835380874.db2.gz HUMJZYHOPIULFN-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001267024902 835431040 /nfs/dbraw/zinc/43/10/40/835431040.db2.gz YJLQMMNSHFKVEI-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267069518 835439298 /nfs/dbraw/zinc/43/92/98/835439298.db2.gz YKKHVJZPUOGNDE-KBPBESRZSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992855 835452120 /nfs/dbraw/zinc/45/21/20/835452120.db2.gz KUXGINAURMKYFJ-KBUPBQIOSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001206992855 835452124 /nfs/dbraw/zinc/45/21/24/835452124.db2.gz KUXGINAURMKYFJ-KBUPBQIOSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001206992855 835452128 /nfs/dbraw/zinc/45/21/28/835452128.db2.gz KUXGINAURMKYFJ-KBUPBQIOSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001206992855 835452132 /nfs/dbraw/zinc/45/21/32/835452132.db2.gz KUXGINAURMKYFJ-KBUPBQIOSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255917 835470447 /nfs/dbraw/zinc/47/04/47/835470447.db2.gz SETDYBCCINMTDV-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255917 835470449 /nfs/dbraw/zinc/47/04/49/835470449.db2.gz SETDYBCCINMTDV-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CCOCCO)C1 ZINC001267296238 835479484 /nfs/dbraw/zinc/47/94/84/835479484.db2.gz JLWBQTXFJYCOAS-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CCOCCO)C1 ZINC001267296238 835479487 /nfs/dbraw/zinc/47/94/87/835479487.db2.gz JLWBQTXFJYCOAS-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCCO)C1 ZINC001267296238 835479489 /nfs/dbraw/zinc/47/94/89/835479489.db2.gz JLWBQTXFJYCOAS-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCOCCO)C1 ZINC001267296238 835479492 /nfs/dbraw/zinc/47/94/92/835479492.db2.gz JLWBQTXFJYCOAS-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267564411 835531074 /nfs/dbraw/zinc/53/10/74/835531074.db2.gz AFACGZUQADDHQH-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267571889 835532427 /nfs/dbraw/zinc/53/24/27/835532427.db2.gz UPZANERBGFYHTM-GJZGRUSLSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267571889 835532432 /nfs/dbraw/zinc/53/24/32/835532432.db2.gz UPZANERBGFYHTM-GJZGRUSLSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267571889 835532434 /nfs/dbraw/zinc/53/24/34/835532434.db2.gz UPZANERBGFYHTM-GJZGRUSLSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267725836 835577185 /nfs/dbraw/zinc/57/71/85/835577185.db2.gz FUYMBTCKLOBGLU-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267725836 835577192 /nfs/dbraw/zinc/57/71/92/835577192.db2.gz FUYMBTCKLOBGLU-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267725836 835577201 /nfs/dbraw/zinc/57/72/01/835577201.db2.gz FUYMBTCKLOBGLU-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267725836 835577212 /nfs/dbraw/zinc/57/72/12/835577212.db2.gz FUYMBTCKLOBGLU-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267732240 835581191 /nfs/dbraw/zinc/58/11/91/835581191.db2.gz KESQWJCJWLROIQ-KBPBESRZSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267732240 835581192 /nfs/dbraw/zinc/58/11/92/835581192.db2.gz KESQWJCJWLROIQ-KBPBESRZSA-N 2 1 318.421 -0.589 20 30 DBEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001267922524 835609601 /nfs/dbraw/zinc/60/96/01/835609601.db2.gz DKZLXEQVNWTAEC-JYJNAYRXSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922524 835609604 /nfs/dbraw/zinc/60/96/04/835609604.db2.gz DKZLXEQVNWTAEC-JYJNAYRXSA-N 2 1 323.437 -0.016 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268380132 835682002 /nfs/dbraw/zinc/68/20/02/835682002.db2.gz YEYUSYLCMFWAKE-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001485390230 1013183227 /nfs/dbraw/zinc/18/32/27/1013183227.db2.gz YDHYFELBCVVDAJ-STQMWFEESA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001485390230 1013183241 /nfs/dbraw/zinc/18/32/41/1013183241.db2.gz YDHYFELBCVVDAJ-STQMWFEESA-N 2 1 308.426 -0.358 20 30 DBEDMP CC#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001485648004 1013310376 /nfs/dbraw/zinc/31/03/76/1013310376.db2.gz WCOPFAUJNKIUJM-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207685145 978232671 /nfs/dbraw/zinc/23/26/71/978232671.db2.gz XLXIMNOIASFTMZ-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207685146 978233569 /nfs/dbraw/zinc/23/35/69/978233569.db2.gz XLXIMNOIASFTMZ-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341257 978347334 /nfs/dbraw/zinc/34/73/34/978347334.db2.gz XMYFBUZEHROWHA-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001208352874 978349543 /nfs/dbraw/zinc/34/95/43/978349543.db2.gz RJMXPPMVOKQKGK-JYJNAYRXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001208352874 978349554 /nfs/dbraw/zinc/34/95/54/978349554.db2.gz RJMXPPMVOKQKGK-JYJNAYRXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423477 978362263 /nfs/dbraw/zinc/36/22/63/978362263.db2.gz LJBAGFBQVJMLQU-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209633790 978465026 /nfs/dbraw/zinc/46/50/26/978465026.db2.gz XYNDFWWKVNBVBZ-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210494764 978515473 /nfs/dbraw/zinc/51/54/73/978515473.db2.gz XQAJFALROVTCNY-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674267 978525962 /nfs/dbraw/zinc/52/59/62/978525962.db2.gz QKWYEYCEKFMHIH-KBPBESRZSA-N 2 1 321.425 -0.451 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210773750 978531658 /nfs/dbraw/zinc/53/16/58/978531658.db2.gz OARJICBYDJXKFR-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210789706 978532394 /nfs/dbraw/zinc/53/23/94/978532394.db2.gz QXAWAEPYWJRDCK-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857789 978694296 /nfs/dbraw/zinc/69/42/96/978694296.db2.gz WHOJCLCFMAWLMQ-RRFJBIMHSA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857789 978694303 /nfs/dbraw/zinc/69/43/03/978694303.db2.gz WHOJCLCFMAWLMQ-RRFJBIMHSA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857789 978694309 /nfs/dbraw/zinc/69/43/09/978694309.db2.gz WHOJCLCFMAWLMQ-RRFJBIMHSA-N 2 1 311.426 -0.044 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216851978 978796311 /nfs/dbraw/zinc/79/63/11/978796311.db2.gz MPCJDQFRMVORRB-ZIAGYGMSSA-N 2 1 308.426 -0.488 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643540 978987462 /nfs/dbraw/zinc/98/74/62/978987462.db2.gz XWXOUJRPIHDHGM-OAGGEKHMSA-N 2 1 323.437 -0.308 20 30 DBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](N)CN1CCC([NH3+])CC1 ZINC001220868445 979312483 /nfs/dbraw/zinc/31/24/83/979312483.db2.gz JYCRLOHSRCNFAE-GJZGRUSLSA-N 2 1 309.458 -0.497 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C1 ZINC001325766389 979717383 /nfs/dbraw/zinc/71/73/83/979717383.db2.gz LVAKUYHCTMWYLB-BETUJISGSA-N 2 1 317.393 -0.355 20 30 DBEDMP C=CCNC(=O)CN1C[C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C1 ZINC001325766389 979717389 /nfs/dbraw/zinc/71/73/89/979717389.db2.gz LVAKUYHCTMWYLB-BETUJISGSA-N 2 1 317.393 -0.355 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001327181589 979795296 /nfs/dbraw/zinc/79/52/96/979795296.db2.gz SMMHXCRCDGLNOY-LSDHHAIUSA-N 2 1 323.441 -0.470 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001327181587 979795770 /nfs/dbraw/zinc/79/57/70/979795770.db2.gz SMMHXCRCDGLNOY-HUUCEWRRSA-N 2 1 323.441 -0.470 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001488878510 1014626917 /nfs/dbraw/zinc/62/69/17/1014626917.db2.gz LXYQFXVQNBIXBG-HDJSIYSDSA-N 2 1 319.409 -0.022 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC001351994365 980705151 /nfs/dbraw/zinc/70/51/51/980705151.db2.gz AKLQBZSKMYGVAG-OAHLLOKOSA-N 2 1 309.458 -0.123 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCC#N ZINC001489144781 1014685550 /nfs/dbraw/zinc/68/55/50/1014685550.db2.gz HELRSTKPABJWGJ-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCC#N ZINC001489144781 1014685554 /nfs/dbraw/zinc/68/55/54/1014685554.db2.gz HELRSTKPABJWGJ-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001489144781 1014685558 /nfs/dbraw/zinc/68/55/58/1014685558.db2.gz HELRSTKPABJWGJ-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001489144781 1014685562 /nfs/dbraw/zinc/68/55/62/1014685562.db2.gz HELRSTKPABJWGJ-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393402 1014951819 /nfs/dbraw/zinc/95/18/19/1014951819.db2.gz FSTQZBDOEWFYBM-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NCCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393402 1014951834 /nfs/dbraw/zinc/95/18/34/1014951834.db2.gz FSTQZBDOEWFYBM-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NCCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393402 1014951842 /nfs/dbraw/zinc/95/18/42/1014951842.db2.gz FSTQZBDOEWFYBM-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001367726991 984574984 /nfs/dbraw/zinc/57/49/84/984574984.db2.gz ZPZZBKZEFAFRGT-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001490852175 1015131813 /nfs/dbraw/zinc/13/18/13/1015131813.db2.gz QOMOITUMOSFRBG-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001490852176 1015132443 /nfs/dbraw/zinc/13/24/43/1015132443.db2.gz QOMOITUMOSFRBG-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001491004380 1015185992 /nfs/dbraw/zinc/18/59/92/1015185992.db2.gz GACIBRCJJALKHQ-YIYPIFLZSA-N 2 1 324.425 -0.756 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001491004380 1015185997 /nfs/dbraw/zinc/18/59/97/1015185997.db2.gz GACIBRCJJALKHQ-YIYPIFLZSA-N 2 1 324.425 -0.756 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183162 1015275263 /nfs/dbraw/zinc/27/52/63/1015275263.db2.gz AIZYOQCGNBRSKW-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493664926 1016030265 /nfs/dbraw/zinc/03/02/65/1016030265.db2.gz RKJCEWPVEQYRES-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494624931 1016351348 /nfs/dbraw/zinc/35/13/48/1016351348.db2.gz HMYBHAQACQGCAE-GXTWGEPZSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494624931 1016351360 /nfs/dbraw/zinc/35/13/60/1016351360.db2.gz HMYBHAQACQGCAE-GXTWGEPZSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410777953 1000899105 /nfs/dbraw/zinc/89/91/05/1000899105.db2.gz BWABQNPLMMKMFC-MNOVXSKESA-N 2 1 320.231 -0.087 20 30 DBEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410777953 1000899109 /nfs/dbraw/zinc/89/91/09/1000899109.db2.gz BWABQNPLMMKMFC-MNOVXSKESA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnnn1C ZINC001495002265 1016513964 /nfs/dbraw/zinc/51/39/64/1016513964.db2.gz JWZLVJWGBNKVSB-ZFWWWQNUSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cnnn1C ZINC001495002265 1016513973 /nfs/dbraw/zinc/51/39/73/1016513973.db2.gz JWZLVJWGBNKVSB-ZFWWWQNUSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001495784924 1016721507 /nfs/dbraw/zinc/72/15/07/1016721507.db2.gz JNIHLKDJVZXUCK-KBPBESRZSA-N 2 1 308.426 -0.581 20 30 DBEDMP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573768 1016954929 /nfs/dbraw/zinc/95/49/29/1016954929.db2.gz HQEXIUKJSDLXBC-ZIAGYGMSSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479416295 1010282934 /nfs/dbraw/zinc/28/29/34/1010282934.db2.gz YCWPKPUSRZLQKG-AJNGGQMLSA-N 2 1 320.437 -0.440 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001449179124 1010343474 /nfs/dbraw/zinc/34/34/74/1010343474.db2.gz BGTWVJVJXMEDSY-QWHCGFSZSA-N 2 1 319.833 -0.132 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001449179124 1010343488 /nfs/dbraw/zinc/34/34/88/1010343488.db2.gz BGTWVJVJXMEDSY-QWHCGFSZSA-N 2 1 319.833 -0.132 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480114938 1010541391 /nfs/dbraw/zinc/54/13/91/1010541391.db2.gz VGAOBDQGZJIPBX-MELADBBJSA-N 2 1 306.410 -0.591 20 30 DBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001480207780 1010575998 /nfs/dbraw/zinc/57/59/98/1010575998.db2.gz GNHNNOZWXCSRJA-TXEJJXNPSA-N 2 1 307.398 -0.653 20 30 DBEDMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001480381950 1010622307 /nfs/dbraw/zinc/62/23/07/1010622307.db2.gz GIQBVTCYFUTMJA-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001480381950 1010622311 /nfs/dbraw/zinc/62/23/11/1010622311.db2.gz GIQBVTCYFUTMJA-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481151693 1010848245 /nfs/dbraw/zinc/84/82/45/1010848245.db2.gz ORAKYEZYCQKWOF-UHFFFAOYSA-N 2 1 320.437 -0.340 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001481151693 1010848249 /nfs/dbraw/zinc/84/82/49/1010848249.db2.gz ORAKYEZYCQKWOF-UHFFFAOYSA-N 2 1 320.437 -0.340 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001481681530 1010961654 /nfs/dbraw/zinc/96/16/54/1010961654.db2.gz HSVLKZBBCYIAJY-ILXRZTDVSA-N 2 1 320.437 -0.249 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001482289254 1011108417 /nfs/dbraw/zinc/10/84/17/1011108417.db2.gz RRINGOMJJBEMJU-MELADBBJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482365678 1011130672 /nfs/dbraw/zinc/13/06/72/1011130672.db2.gz XDPQIDKAOZWWEY-STQMWFEESA-N 2 1 319.409 -0.234 20 30 DBEDMP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790653 1011468375 /nfs/dbraw/zinc/46/83/75/1011468375.db2.gz GXDWPKZWJVXGPK-WDEREUQCSA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482924350 1011541712 /nfs/dbraw/zinc/54/17/12/1011541712.db2.gz FBXPCQCAJIZFRO-RRFJBIMHSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NCC ZINC001482930307 1011545978 /nfs/dbraw/zinc/54/59/78/1011545978.db2.gz QKAGEHATNOJFII-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NCC ZINC001482930307 1011545987 /nfs/dbraw/zinc/54/59/87/1011545987.db2.gz QKAGEHATNOJFII-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482990857 1011579237 /nfs/dbraw/zinc/57/92/37/1011579237.db2.gz IQNLTMKUQZOLEZ-LAWSMPECSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483081599 1011672482 /nfs/dbraw/zinc/67/24/82/1011672482.db2.gz APLZXEMLERIERF-WSNITJDQSA-N 2 1 306.410 -0.660 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001483127425 1011711160 /nfs/dbraw/zinc/71/11/60/1011711160.db2.gz QACCUIXZGCLCCF-KGLIPLIRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340340 1011845907 /nfs/dbraw/zinc/84/59/07/1011845907.db2.gz QNFSLJPPXLIORQ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340340 1011845908 /nfs/dbraw/zinc/84/59/08/1011845908.db2.gz QNFSLJPPXLIORQ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483340340 1011845910 /nfs/dbraw/zinc/84/59/10/1011845910.db2.gz QNFSLJPPXLIORQ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483340340 1011845913 /nfs/dbraw/zinc/84/59/13/1011845913.db2.gz QNFSLJPPXLIORQ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483605792 1011964428 /nfs/dbraw/zinc/96/44/28/1011964428.db2.gz SHZJUAYXYJQOJN-UONOGXRCSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483605793 1011968261 /nfs/dbraw/zinc/96/82/61/1011968261.db2.gz SHZJUAYXYJQOJN-ZIAGYGMSSA-N 2 1 306.410 -0.828 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001483916343 1012203371 /nfs/dbraw/zinc/20/33/71/1012203371.db2.gz ODNANSWQBYLSPX-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001483916340 1012204052 /nfs/dbraw/zinc/20/40/52/1012204052.db2.gz ODNANSWQBYLSPX-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001483933405 1012217351 /nfs/dbraw/zinc/21/73/51/1012217351.db2.gz IQWLYKXOEQHLOX-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NC ZINC001483933405 1012217357 /nfs/dbraw/zinc/21/73/57/1012217357.db2.gz IQWLYKXOEQHLOX-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC(N)=O)CC1 ZINC001483986979 1012237851 /nfs/dbraw/zinc/23/78/51/1012237851.db2.gz ZGEOQSSZHXPEKZ-UHFFFAOYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484066562 1012290983 /nfs/dbraw/zinc/29/09/83/1012290983.db2.gz AMEKEQYKVVRJOZ-MRXNPFEDSA-N 2 1 320.437 -0.035 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484066562 1012291004 /nfs/dbraw/zinc/29/10/04/1012291004.db2.gz AMEKEQYKVVRJOZ-MRXNPFEDSA-N 2 1 320.437 -0.035 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001484253730 1012465240 /nfs/dbraw/zinc/46/52/40/1012465240.db2.gz ZPRUZNXGPJXRJC-QGZVFWFLSA-N 2 1 323.437 -0.733 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC#N)C2 ZINC001484317822 1012573261 /nfs/dbraw/zinc/57/32/61/1012573261.db2.gz JJFBIPPAWUUCFG-IHRRRGAJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001484409633 1012610536 /nfs/dbraw/zinc/61/05/36/1012610536.db2.gz GGSYSNRWAJTKOO-HZSPNIEDSA-N 2 1 319.409 -0.889 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001484409633 1012610550 /nfs/dbraw/zinc/61/05/50/1012610550.db2.gz GGSYSNRWAJTKOO-HZSPNIEDSA-N 2 1 319.409 -0.889 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001484409633 1012610570 /nfs/dbraw/zinc/61/05/70/1012610570.db2.gz GGSYSNRWAJTKOO-HZSPNIEDSA-N 2 1 319.409 -0.889 20 30 DBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001484492041 1012726994 /nfs/dbraw/zinc/72/69/94/1012726994.db2.gz CWKDLTCUXANIJO-AWEZNQCLSA-N 2 1 304.394 -0.202 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484532836 1012762831 /nfs/dbraw/zinc/76/28/31/1012762831.db2.gz OFIMJSPKWLFDQU-ZIAGYGMSSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C1CC[NH+](C)CC1 ZINC001484756331 1012850289 /nfs/dbraw/zinc/85/02/89/1012850289.db2.gz YMYOXTQIMHFNNC-UHFFFAOYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001485041595 1012961705 /nfs/dbraw/zinc/96/17/05/1012961705.db2.gz XNZYKQRDAIOXNO-KGLIPLIRSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001485096369 1012993276 /nfs/dbraw/zinc/99/32/76/1012993276.db2.gz YNVJKDXOYYZNNR-JXQTWKCFSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001497829779 1017516360 /nfs/dbraw/zinc/51/63/60/1017516360.db2.gz JHHXHLDEAPNJAQ-MCIONIFRSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCNC1=O ZINC001497829779 1017516371 /nfs/dbraw/zinc/51/63/71/1017516371.db2.gz JHHXHLDEAPNJAQ-MCIONIFRSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498598271 1017834576 /nfs/dbraw/zinc/83/45/76/1017834576.db2.gz AXCJBRZGBGRPCA-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(C(=O)CC[NH+](C)C)C1 ZINC001498598271 1017834580 /nfs/dbraw/zinc/83/45/80/1017834580.db2.gz AXCJBRZGBGRPCA-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001500012405 1018227531 /nfs/dbraw/zinc/22/75/31/1018227531.db2.gz CHMIRMYTAOIHQQ-UHFFFAOYSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001500012405 1018227545 /nfs/dbraw/zinc/22/75/45/1018227545.db2.gz CHMIRMYTAOIHQQ-UHFFFAOYSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001501233176 1018604181 /nfs/dbraw/zinc/60/41/81/1018604181.db2.gz SUKNBWBOPJHLTF-ZNMIVQPWSA-N 2 1 320.437 -0.534 20 30 DBEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001502559739 1019087931 /nfs/dbraw/zinc/08/79/31/1019087931.db2.gz IGTXENHBZHBBTH-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001502559739 1019087933 /nfs/dbraw/zinc/08/79/33/1019087933.db2.gz IGTXENHBZHBBTH-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502727867 1019150464 /nfs/dbraw/zinc/15/04/64/1019150464.db2.gz MQYGGVUHXKSZKY-WCQYABFASA-N 2 1 318.381 -0.732 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001502791737 1019179179 /nfs/dbraw/zinc/17/91/79/1019179179.db2.gz NJPSHQXJUXVYRH-CYBMUJFWSA-N 2 1 321.425 -0.309 20 30 DBEDMP CC#CC[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001574973137 1019335262 /nfs/dbraw/zinc/33/52/62/1019335262.db2.gz SSUKXBJKTLIFLS-KBPBESRZSA-N 2 1 324.425 -0.978 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001506906824 1019996791 /nfs/dbraw/zinc/99/67/91/1019996791.db2.gz VDSPVUFSZNYZJF-JOCQHMNTSA-N 2 1 318.381 -0.684 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)C1 ZINC001507161123 1020110928 /nfs/dbraw/zinc/11/09/28/1020110928.db2.gz XQMQJULFZJQPRH-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)C1 ZINC001507161123 1020110930 /nfs/dbraw/zinc/11/09/30/1020110930.db2.gz XQMQJULFZJQPRH-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001507206104 1020181671 /nfs/dbraw/zinc/18/16/71/1020181671.db2.gz XYKQWXXDWFCWEP-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CCn1cccn1 ZINC001507206104 1020181677 /nfs/dbraw/zinc/18/16/77/1020181677.db2.gz XYKQWXXDWFCWEP-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP C=C(Cl)C[NH2+][C@@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001507250843 1020243900 /nfs/dbraw/zinc/24/39/00/1020243900.db2.gz ZRUIKEXFMLDBOK-GFCCVEGCSA-N 2 1 319.833 -0.084 20 30 DBEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC001578461010 1020243409 /nfs/dbraw/zinc/24/34/09/1020243409.db2.gz FHSOTCIOMXXLMP-ZDUSSCGKSA-N 2 1 309.414 -0.465 20 30 DBEDMP C=C(Cl)C[NH2+][C@H](CO)CNC(=O)COC1CC[NH+](C)CC1 ZINC001507250844 1020243496 /nfs/dbraw/zinc/24/34/96/1020243496.db2.gz ZRUIKEXFMLDBOK-LBPRGKRZSA-N 2 1 319.833 -0.084 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001507288217 1020276306 /nfs/dbraw/zinc/27/63/06/1020276306.db2.gz FBQXUESLENFCFN-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507343292 1020297776 /nfs/dbraw/zinc/29/77/76/1020297776.db2.gz XLRBKASOLPBCNS-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001507435618 1020323410 /nfs/dbraw/zinc/32/34/10/1020323410.db2.gz UNXYBMQSAGIFPU-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001507435618 1020323423 /nfs/dbraw/zinc/32/34/23/1020323423.db2.gz UNXYBMQSAGIFPU-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001508192802 1020546898 /nfs/dbraw/zinc/54/68/98/1020546898.db2.gz FLTDFFKGRXNMSV-OAHLLOKOSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001508192802 1020546908 /nfs/dbraw/zinc/54/69/08/1020546908.db2.gz FLTDFFKGRXNMSV-OAHLLOKOSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001508192802 1020546918 /nfs/dbraw/zinc/54/69/18/1020546918.db2.gz FLTDFFKGRXNMSV-OAHLLOKOSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001508192802 1020546935 /nfs/dbraw/zinc/54/69/35/1020546935.db2.gz FLTDFFKGRXNMSV-OAHLLOKOSA-N 2 1 318.421 -0.422 20 30 DBEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001580038332 1020633324 /nfs/dbraw/zinc/63/33/24/1020633324.db2.gz KORAKAITFUVOBZ-RQJABVFESA-N 2 1 320.393 -0.092 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC([N@@H+]3CC[C@@H](O)C3)C1)C2 ZINC001580041834 1020634294 /nfs/dbraw/zinc/63/42/94/1020634294.db2.gz IMTRNEOAXCUXFT-QRFPHZIJSA-N 2 1 304.394 -0.597 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC([N@H+]3CC[C@@H](O)C3)C1)C2 ZINC001580041834 1020634325 /nfs/dbraw/zinc/63/43/25/1020634325.db2.gz IMTRNEOAXCUXFT-QRFPHZIJSA-N 2 1 304.394 -0.597 20 30 DBEDMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001565496389 1024057470 /nfs/dbraw/zinc/05/74/70/1024057470.db2.gz HPYPSPCEUFYCAL-CQSZACIVSA-N 2 1 324.425 -0.170 20 30 DBEDMP COC(=O)CC[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@H](C)C1 ZINC001565496389 1024057493 /nfs/dbraw/zinc/05/74/93/1024057493.db2.gz HPYPSPCEUFYCAL-CQSZACIVSA-N 2 1 324.425 -0.170 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001566543978 1024242500 /nfs/dbraw/zinc/24/25/00/1024242500.db2.gz ZBSVKLRDZTYSDU-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001566543978 1024242518 /nfs/dbraw/zinc/24/25/18/1024242518.db2.gz ZBSVKLRDZTYSDU-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001566543978 1024242536 /nfs/dbraw/zinc/24/25/36/1024242536.db2.gz ZBSVKLRDZTYSDU-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001566611901 1024274981 /nfs/dbraw/zinc/27/49/81/1024274981.db2.gz SKLYUICCVRQCKO-UHFFFAOYSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566766766 1024362213 /nfs/dbraw/zinc/36/22/13/1024362213.db2.gz ODXAPPYTPIOZQY-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001566951250 1024433321 /nfs/dbraw/zinc/43/33/21/1024433321.db2.gz FJYYPPSEYRKCOG-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001567017178 1024464966 /nfs/dbraw/zinc/46/49/66/1024464966.db2.gz VMWLTPSBHAXOAN-OLZOCXBDSA-N 2 1 309.414 -0.407 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001567017177 1024466457 /nfs/dbraw/zinc/46/64/57/1024466457.db2.gz VMWLTPSBHAXOAN-CHWSQXEVSA-N 2 1 309.414 -0.407 20 30 DBEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395645 1024666399 /nfs/dbraw/zinc/66/63/99/1024666399.db2.gz OEIZTWVDRZECEX-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395645 1024666413 /nfs/dbraw/zinc/66/64/13/1024666413.db2.gz OEIZTWVDRZECEX-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567395645 1024666429 /nfs/dbraw/zinc/66/64/29/1024666429.db2.gz OEIZTWVDRZECEX-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567395645 1024666439 /nfs/dbraw/zinc/66/64/39/1024666439.db2.gz OEIZTWVDRZECEX-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567511579 1024754879 /nfs/dbraw/zinc/75/48/79/1024754879.db2.gz ZNJBYMYEOVUDQM-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001567510995 1024755811 /nfs/dbraw/zinc/75/58/11/1024755811.db2.gz NCLHVHNTOSYYJP-CABCVRRESA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001567510995 1024755840 /nfs/dbraw/zinc/75/58/40/1024755840.db2.gz NCLHVHNTOSYYJP-CABCVRRESA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001567548674 1024783404 /nfs/dbraw/zinc/78/34/04/1024783404.db2.gz RFQSYMHPBLFNTD-OAHLLOKOSA-N 2 1 322.453 -0.094 20 30 DBEDMP COCC#CCN1CC[C@@H](NC(=O)[C@H](C)CN2CCOCC2)C1 ZINC001567900216 1024842476 /nfs/dbraw/zinc/84/24/76/1024842476.db2.gz GOOKWGSCYMPRHA-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001568277621 1024886987 /nfs/dbraw/zinc/88/69/87/1024886987.db2.gz BSYWOBLSAIJXHX-KFWWJZLASA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C[C@@H](O)COC ZINC001568277621 1024886993 /nfs/dbraw/zinc/88/69/93/1024886993.db2.gz BSYWOBLSAIJXHX-KFWWJZLASA-N 2 1 311.426 -0.472 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001568470103 1024905567 /nfs/dbraw/zinc/90/55/67/1024905567.db2.gz HMFLVOVGJGQZAA-KBPBESRZSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001568866509 1025053198 /nfs/dbraw/zinc/05/31/98/1025053198.db2.gz USWMBNTWLIUHOY-OVNWPICBSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCCNC1=O ZINC001568866509 1025053210 /nfs/dbraw/zinc/05/32/10/1025053210.db2.gz USWMBNTWLIUHOY-OVNWPICBSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569058788 1025125580 /nfs/dbraw/zinc/12/55/80/1025125580.db2.gz UNLBXEIQSBMURI-MELADBBJSA-N 2 1 308.426 -0.440 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569075876 1025133181 /nfs/dbraw/zinc/13/31/81/1025133181.db2.gz IAWOSCRLFMZMDP-AVGNSLFASA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569118099 1025147516 /nfs/dbraw/zinc/14/75/16/1025147516.db2.gz OMFHTUUMHHDTDA-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569118099 1025147532 /nfs/dbraw/zinc/14/75/32/1025147532.db2.gz OMFHTUUMHHDTDA-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118099 1025147550 /nfs/dbraw/zinc/14/75/50/1025147550.db2.gz OMFHTUUMHHDTDA-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118099 1025147565 /nfs/dbraw/zinc/14/75/65/1025147565.db2.gz OMFHTUUMHHDTDA-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NC)CC1 ZINC001569152928 1025159204 /nfs/dbraw/zinc/15/92/04/1025159204.db2.gz LXLJXGVTYIKJNA-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NC)CC1 ZINC001569152928 1025159207 /nfs/dbraw/zinc/15/92/07/1025159207.db2.gz LXLJXGVTYIKJNA-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001569314723 1025199326 /nfs/dbraw/zinc/19/93/26/1025199326.db2.gz LNESIDFCUFXPLI-KGLIPLIRSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCN(C(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC[NH+](CCO)CC1 ZINC001569596024 1025282967 /nfs/dbraw/zinc/28/29/67/1025282967.db2.gz KTEUPXGIOXFNDI-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CCN(C(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CCO)CC1 ZINC001569596024 1025282973 /nfs/dbraw/zinc/28/29/73/1025282973.db2.gz KTEUPXGIOXFNDI-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001569695580 1025307706 /nfs/dbraw/zinc/30/77/06/1025307706.db2.gz QBXLYNKMZGWLHY-INIZCTEOSA-N 2 1 323.441 -0.205 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CCOCC1 ZINC001569727663 1025310509 /nfs/dbraw/zinc/31/05/09/1025310509.db2.gz GFJISOJDBPVNLJ-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001569764900 1025346818 /nfs/dbraw/zinc/34/68/18/1025346818.db2.gz FXPJPPCCNHDMIO-GOEBONIOSA-N 2 1 309.410 -0.859 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001569888342 1025388663 /nfs/dbraw/zinc/38/86/63/1025388663.db2.gz PUDRALZGCWEYGZ-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001569888342 1025388680 /nfs/dbraw/zinc/38/86/80/1025388680.db2.gz PUDRALZGCWEYGZ-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](CC)C(N)=O ZINC001570460428 1025624273 /nfs/dbraw/zinc/62/42/73/1025624273.db2.gz ARSXZZUKNMYLNV-IHRRRGAJSA-N 2 1 308.426 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H](CC)C(N)=O ZINC001570460428 1025624294 /nfs/dbraw/zinc/62/42/94/1025624294.db2.gz ARSXZZUKNMYLNV-IHRRRGAJSA-N 2 1 308.426 -0.168 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001571336217 1025891054 /nfs/dbraw/zinc/89/10/54/1025891054.db2.gz MWGUZWLJNLMYCY-UHFFFAOYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001571336217 1025891059 /nfs/dbraw/zinc/89/10/59/1025891059.db2.gz MWGUZWLJNLMYCY-UHFFFAOYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001571336217 1025891062 /nfs/dbraw/zinc/89/10/62/1025891062.db2.gz MWGUZWLJNLMYCY-UHFFFAOYSA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001571555325 1026067591 /nfs/dbraw/zinc/06/75/91/1026067591.db2.gz ZZJMPENSUFZERP-LSDHHAIUSA-N 2 1 323.437 -0.207 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001571555325 1026067611 /nfs/dbraw/zinc/06/76/11/1026067611.db2.gz ZZJMPENSUFZERP-LSDHHAIUSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC[C@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001571603366 1026117025 /nfs/dbraw/zinc/11/70/25/1026117025.db2.gz ZEEKEBOYOHOJCV-HUUCEWRRSA-N 2 1 313.442 -0.273 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2c[nH+]cc2C)C1 ZINC001571659906 1026138039 /nfs/dbraw/zinc/13/80/39/1026138039.db2.gz FNAQORJFQJBFAZ-UHFFFAOYSA-N 2 1 317.393 -0.480 20 30 DBEDMP CNC(=O)[C@@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)C(=O)NC ZINC000284255289 335010916 /nfs/dbraw/zinc/01/09/16/335010916.db2.gz WMZJQMHBKLJBQG-KBPBESRZSA-N 2 1 310.442 -0.382 20 30 DBEDMP CN(C)C(=O)C1([NH2+]CC#CC[NH2+]C2(C(=O)N(C)C)CC2)CC1 ZINC000625472009 374655059 /nfs/dbraw/zinc/65/50/59/374655059.db2.gz STNOTSCHCRADPE-UHFFFAOYSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594440417 375931295 /nfs/dbraw/zinc/93/12/95/375931295.db2.gz CCWZSTDRYVHWMC-ZDUSSCGKSA-N 2 1 309.414 -0.322 20 30 DBEDMP CC[NH+](CC)[C@@H]1CCN(C(NC[C@H]2CN3CCN2CC3)=[NH+]C)C1 ZINC000261671395 284774535 /nfs/dbraw/zinc/77/45/35/284774535.db2.gz GZZVTYYEOCOQGZ-CVEARBPZSA-N 2 1 322.501 -0.022 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282588 393592145 /nfs/dbraw/zinc/59/21/45/393592145.db2.gz BRMNYCTUUXHJCC-LSDHHAIUSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@@H](C(=O)OC)C1 ZINC000491735196 393827312 /nfs/dbraw/zinc/82/73/12/393827312.db2.gz JSBBQCFHCKYKTF-CQSZACIVSA-N 2 1 324.425 -0.312 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000491735196 393827315 /nfs/dbraw/zinc/82/73/15/393827315.db2.gz JSBBQCFHCKYKTF-CQSZACIVSA-N 2 1 324.425 -0.312 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@@H](C(=O)OC)C1 ZINC000491735196 393827317 /nfs/dbraw/zinc/82/73/17/393827317.db2.gz JSBBQCFHCKYKTF-CQSZACIVSA-N 2 1 324.425 -0.312 20 30 DBEDMP C[NH+]1CCC(O)(CNC(=O)NCC[NH+]2CCSCC2)CC1 ZINC000329570455 335995883 /nfs/dbraw/zinc/99/58/83/335995883.db2.gz MHHLRYZABQILET-UHFFFAOYSA-N 2 1 316.471 -0.005 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022220805 664239643 /nfs/dbraw/zinc/23/96/43/664239643.db2.gz QKKCIBRHSYLWRI-XGUBFFRZSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001022220805 664239646 /nfs/dbraw/zinc/23/96/46/664239646.db2.gz QKKCIBRHSYLWRI-XGUBFFRZSA-N 2 1 318.421 -0.401 20 30 DBEDMP CC[NH+](CC)[C@@H]1CCN(C(NC[C@@H]2CN3CCN2CC3)=[NH+]C)C1 ZINC000261671401 670529440 /nfs/dbraw/zinc/52/94/40/670529440.db2.gz GZZVTYYEOCOQGZ-HZPDHXFCSA-N 2 1 322.501 -0.022 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698612 670966973 /nfs/dbraw/zinc/96/69/73/670966973.db2.gz OABKHMLPVIKUKS-HCEZTOJASA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698612 670966977 /nfs/dbraw/zinc/96/69/77/670966977.db2.gz OABKHMLPVIKUKS-HCEZTOJASA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698612 670966979 /nfs/dbraw/zinc/96/69/79/670966979.db2.gz OABKHMLPVIKUKS-HCEZTOJASA-N 2 1 303.406 -0.079 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@@]2(CCOC2)C1 ZINC000261954279 671148002 /nfs/dbraw/zinc/14/80/02/671148002.db2.gz IHWQNPSNTGHXGX-GDBMZVCRSA-N 2 1 309.458 -0.080 20 30 DBEDMP C#CCN1CCC[C@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000896491067 671396852 /nfs/dbraw/zinc/39/68/52/671396852.db2.gz YTRSCJJLMUNIGG-INIZCTEOSA-N 2 1 321.469 -0.027 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303982561 671492349 /nfs/dbraw/zinc/49/23/49/671492349.db2.gz QHWLARASENSGNA-GFCCVEGCSA-N 2 1 317.459 -0.590 20 30 DBEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999963489 678779819 /nfs/dbraw/zinc/77/98/19/678779819.db2.gz QZKMDHVBKMOOBT-GJZGRUSLSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999963489 678779821 /nfs/dbraw/zinc/77/98/21/678779821.db2.gz QZKMDHVBKMOOBT-GJZGRUSLSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999963489 678779823 /nfs/dbraw/zinc/77/98/23/678779823.db2.gz QZKMDHVBKMOOBT-GJZGRUSLSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCO)CC1 ZINC001032800548 678886919 /nfs/dbraw/zinc/88/69/19/678886919.db2.gz MQIWUHCADHQFPA-HOTGVXAUSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC2CC[NH+]([C@@H](C)C(N)=O)CC2)CC1 ZINC001004200979 679115211 /nfs/dbraw/zinc/11/52/11/679115211.db2.gz HGMDWCATXDUXEE-ZDUSSCGKSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1C ZINC001316842623 806004762 /nfs/dbraw/zinc/00/47/62/806004762.db2.gz JUZQPLCYLQPBIG-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001316842623 806004766 /nfs/dbraw/zinc/00/47/66/806004766.db2.gz JUZQPLCYLQPBIG-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001316842623 806004774 /nfs/dbraw/zinc/00/47/74/806004774.db2.gz JUZQPLCYLQPBIG-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCC[NH+]1CCN(CCNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001316967666 806051125 /nfs/dbraw/zinc/05/11/25/806051125.db2.gz IWLOFQXCVNJDLG-UHFFFAOYSA-N 2 1 303.410 -0.051 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1 ZINC001317017346 806070445 /nfs/dbraw/zinc/07/04/45/806070445.db2.gz TVPHJFUYVZITFX-KGLIPLIRSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NC)C1CC1 ZINC001317017346 806070454 /nfs/dbraw/zinc/07/04/54/806070454.db2.gz TVPHJFUYVZITFX-KGLIPLIRSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317124702 806093842 /nfs/dbraw/zinc/09/38/42/806093842.db2.gz VWQRHMYEZUBQBJ-TUVASFSCSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001317213665 806107297 /nfs/dbraw/zinc/10/72/97/806107297.db2.gz RCAKZEUVUVTLBT-SBJFKYEJSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317502861 806168041 /nfs/dbraw/zinc/16/80/41/806168041.db2.gz KZSJGMCGDSEKFB-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317502861 806168048 /nfs/dbraw/zinc/16/80/48/806168048.db2.gz KZSJGMCGDSEKFB-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001317683732 806225433 /nfs/dbraw/zinc/22/54/33/806225433.db2.gz UAVINMGOZDSFNI-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001317683732 806225437 /nfs/dbraw/zinc/22/54/37/806225437.db2.gz UAVINMGOZDSFNI-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C)CC(=O)NCC#N ZINC001317683732 806225442 /nfs/dbraw/zinc/22/54/42/806225442.db2.gz UAVINMGOZDSFNI-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[C@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001317790158 806232901 /nfs/dbraw/zinc/23/29/01/806232901.db2.gz SMSLSAUXHMKUBE-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001317898349 806239618 /nfs/dbraw/zinc/23/96/18/806239618.db2.gz TXTSXITUYFAQLW-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001317898349 806239625 /nfs/dbraw/zinc/23/96/25/806239625.db2.gz TXTSXITUYFAQLW-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243348 806356062 /nfs/dbraw/zinc/35/60/62/806356062.db2.gz CUGFOBHRQQKHOV-QWHCGFSZSA-N 2 1 309.414 -0.690 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319642835 806400340 /nfs/dbraw/zinc/40/03/40/806400340.db2.gz KVQCZIJDBWNSBK-LSDHHAIUSA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320610001 806509229 /nfs/dbraw/zinc/50/92/29/806509229.db2.gz ZBKKHJMZEFAJJC-KGLIPLIRSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001321403614 806621562 /nfs/dbraw/zinc/62/15/62/806621562.db2.gz OYNIPOCMQLTMGT-SZZPACECSA-N 2 1 317.393 -0.409 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2cn(C)nn2)CC1 ZINC001322086422 806708478 /nfs/dbraw/zinc/70/84/78/806708478.db2.gz AIJLIOZYYQHZOT-ZDUSSCGKSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182013 806718287 /nfs/dbraw/zinc/71/82/87/806718287.db2.gz CXHKGTINBJLZPO-ZFWWWQNUSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182013 806718291 /nfs/dbraw/zinc/71/82/91/806718291.db2.gz CXHKGTINBJLZPO-ZFWWWQNUSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322549040 806751830 /nfs/dbraw/zinc/75/18/30/806751830.db2.gz JJEWPFCAHPFDIT-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCN(C)C1=O ZINC001322549040 806751835 /nfs/dbraw/zinc/75/18/35/806751835.db2.gz JJEWPFCAHPFDIT-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000876720955 806800526 /nfs/dbraw/zinc/80/05/26/806800526.db2.gz DQCDEZSKLUBDMA-LLVKDONJSA-N 2 1 302.806 -0.263 20 30 DBEDMP C[C@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001278262651 803771947 /nfs/dbraw/zinc/77/19/47/803771947.db2.gz DKCWUBGEVKCVGH-GXTWGEPZSA-N 2 1 321.425 -0.311 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278416159 803789498 /nfs/dbraw/zinc/78/94/98/803789498.db2.gz KNKFWZRYYRQENH-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)OC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104158287 803804342 /nfs/dbraw/zinc/80/43/42/803804342.db2.gz WXFFHXVMHKOCQB-UHFFFAOYSA-N 2 1 300.403 -0.045 20 30 DBEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000128901674 803812910 /nfs/dbraw/zinc/81/29/10/803812910.db2.gz JRPQEEKOMSMMMZ-GHMZBOCLSA-N 2 1 317.459 -0.674 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278771226 803818682 /nfs/dbraw/zinc/81/86/82/803818682.db2.gz MIOYQVMMXWGMIG-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278771226 803818691 /nfs/dbraw/zinc/81/86/91/803818691.db2.gz MIOYQVMMXWGMIG-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278771226 803818701 /nfs/dbraw/zinc/81/87/01/803818701.db2.gz MIOYQVMMXWGMIG-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278771226 803818710 /nfs/dbraw/zinc/81/87/10/803818710.db2.gz MIOYQVMMXWGMIG-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278780996 803823678 /nfs/dbraw/zinc/82/36/78/803823678.db2.gz AWLRTDRFNAMIFP-WBVHZDCISA-N 2 1 305.422 -0.096 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782148 803825641 /nfs/dbraw/zinc/82/56/41/803825641.db2.gz RMRBQDQEMMNBLI-INMHGKMJSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278782148 803825649 /nfs/dbraw/zinc/82/56/49/803825649.db2.gz RMRBQDQEMMNBLI-INMHGKMJSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782148 803825657 /nfs/dbraw/zinc/82/56/57/803825657.db2.gz RMRBQDQEMMNBLI-INMHGKMJSA-N 2 1 323.437 -0.471 20 30 DBEDMP CC[C@@H](C)NC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303880613 803835830 /nfs/dbraw/zinc/83/58/30/803835830.db2.gz KIQXEEYBSUZDFJ-CYBMUJFWSA-N 2 1 313.446 -0.082 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCCS(C)(=O)=O ZINC000304805941 803837288 /nfs/dbraw/zinc/83/72/88/803837288.db2.gz RRWZLGCDTKREOR-GFCCVEGCSA-N 2 1 320.459 -0.564 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278833809 803841456 /nfs/dbraw/zinc/84/14/56/803841456.db2.gz WPAOYXHHAYOFNN-AWEZNQCLSA-N 2 1 308.382 -0.750 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C1 ZINC001279416467 803884657 /nfs/dbraw/zinc/88/46/57/803884657.db2.gz SMACVIIHIFUIAB-GASCZTMLSA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001279416467 803884666 /nfs/dbraw/zinc/88/46/66/803884666.db2.gz SMACVIIHIFUIAB-GASCZTMLSA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001279416467 803884675 /nfs/dbraw/zinc/88/46/75/803884675.db2.gz SMACVIIHIFUIAB-GASCZTMLSA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001279529126 803898301 /nfs/dbraw/zinc/89/83/01/803898301.db2.gz JXPCDTGXVQFHQY-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001279529126 803898310 /nfs/dbraw/zinc/89/83/10/803898310.db2.gz JXPCDTGXVQFHQY-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001279529126 803898318 /nfs/dbraw/zinc/89/83/18/803898318.db2.gz JXPCDTGXVQFHQY-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001279529126 803898326 /nfs/dbraw/zinc/89/83/26/803898326.db2.gz JXPCDTGXVQFHQY-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NCC1=CCN(CC(=O)NCC#N)CC1 ZINC001279675724 803908850 /nfs/dbraw/zinc/90/88/50/803908850.db2.gz LAROWKCCCJICFH-UHFFFAOYSA-N 2 1 321.425 -0.284 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCC2=CCN(CC(=O)NCC#N)CC2)C1 ZINC001279687912 803911164 /nfs/dbraw/zinc/91/11/64/803911164.db2.gz SMZVKIYPAGFEGA-CQSZACIVSA-N 2 1 319.409 -0.674 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001280433816 803957811 /nfs/dbraw/zinc/95/78/11/803957811.db2.gz DDBYGKMTCIBRHX-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280534196 803972527 /nfs/dbraw/zinc/97/25/27/803972527.db2.gz RNWTWSOFKYUIRP-ZDUSSCGKSA-N 2 1 321.425 -0.404 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967263 804238306 /nfs/dbraw/zinc/23/83/06/804238306.db2.gz GHEGJVFNNSKPGL-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967263 804238313 /nfs/dbraw/zinc/23/83/13/804238313.db2.gz GHEGJVFNNSKPGL-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282028931 804244130 /nfs/dbraw/zinc/24/41/30/804244130.db2.gz MSOQGVTWANVZDD-UHFFFAOYSA-N 2 1 318.381 -0.684 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282074400 804252915 /nfs/dbraw/zinc/25/29/15/804252915.db2.gz VDSPVUFSZNYZJF-UHFFFAOYSA-N 2 1 318.381 -0.684 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001282231047 804264306 /nfs/dbraw/zinc/26/43/06/804264306.db2.gz TWNZNECXJRCLBM-NWDGAFQWSA-N 2 1 307.398 -0.023 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001282231046 804264753 /nfs/dbraw/zinc/26/47/53/804264753.db2.gz TWNZNECXJRCLBM-NEPJUHHUSA-N 2 1 307.398 -0.023 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(=O)NCC#N ZINC001282392245 804272328 /nfs/dbraw/zinc/27/23/28/804272328.db2.gz YBYZAIDMTXZWSC-TZMCWYRMSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(=O)NCC#N ZINC001282392245 804272333 /nfs/dbraw/zinc/27/23/33/804272333.db2.gz YBYZAIDMTXZWSC-TZMCWYRMSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001282872587 804324595 /nfs/dbraw/zinc/32/45/95/804324595.db2.gz AQRVNHIINIIHHY-TUVASFSCSA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001283618869 804541212 /nfs/dbraw/zinc/54/12/12/804541212.db2.gz XGKGLSXZUCJYOS-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001283618869 804541217 /nfs/dbraw/zinc/54/12/17/804541217.db2.gz XGKGLSXZUCJYOS-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](CC)CC)C1 ZINC001284907627 804794981 /nfs/dbraw/zinc/79/49/81/804794981.db2.gz KSUXXZPEONZUKG-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](CC)CC)C1 ZINC001284907627 804794984 /nfs/dbraw/zinc/79/49/84/804794984.db2.gz KSUXXZPEONZUKG-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324707137 807001049 /nfs/dbraw/zinc/00/10/49/807001049.db2.gz ONVZKRWVYKIAKI-NVXWUHKLSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324707137 807001055 /nfs/dbraw/zinc/00/10/55/807001055.db2.gz ONVZKRWVYKIAKI-NVXWUHKLSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001325794166 807104539 /nfs/dbraw/zinc/10/45/39/807104539.db2.gz ITVUBSPVLOIVQL-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001325794166 807104542 /nfs/dbraw/zinc/10/45/42/807104542.db2.gz ITVUBSPVLOIVQL-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001328268461 807402937 /nfs/dbraw/zinc/40/29/37/807402937.db2.gz UNKOMYUWDVLFPF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001328268461 807402940 /nfs/dbraw/zinc/40/29/40/807402940.db2.gz UNKOMYUWDVLFPF-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001332112739 807872264 /nfs/dbraw/zinc/87/22/64/807872264.db2.gz QWHIQTSOFBQTCC-YOEHRIQHSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1C)C1CC[NH+](C)CC1 ZINC000931889275 807946929 /nfs/dbraw/zinc/94/69/29/807946929.db2.gz CORDLKJHTXROTD-AWEZNQCLSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)C1CC[NH+](C)CC1 ZINC000931889275 807946936 /nfs/dbraw/zinc/94/69/36/807946936.db2.gz CORDLKJHTXROTD-AWEZNQCLSA-N 2 1 306.410 -0.637 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077581 809761307 /nfs/dbraw/zinc/76/13/07/809761307.db2.gz WQNYHJMDIAMTMN-DZGCQCFKSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958723907 810012789 /nfs/dbraw/zinc/01/27/89/810012789.db2.gz KJECISJKJPXNJG-DLBZAZTESA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000962016786 810424430 /nfs/dbraw/zinc/42/44/30/810424430.db2.gz LHJJUPAOJRBTLG-FICVDOATSA-N 2 1 301.394 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@H](C)O)C[C@H]32)CC1 ZINC000962779001 810579573 /nfs/dbraw/zinc/57/95/73/810579573.db2.gz RHRTVKLDDBMZQX-ARLBYUKCSA-N 2 1 305.422 -0.241 20 30 DBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010762 816718074 /nfs/dbraw/zinc/71/80/74/816718074.db2.gz UHMLBPIQEKVMBR-JKSUJKDBSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010762 816718078 /nfs/dbraw/zinc/71/80/78/816718078.db2.gz UHMLBPIQEKVMBR-JKSUJKDBSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010762 816718083 /nfs/dbraw/zinc/71/80/83/816718083.db2.gz UHMLBPIQEKVMBR-JKSUJKDBSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010760 816719185 /nfs/dbraw/zinc/71/91/85/816719185.db2.gz UHMLBPIQEKVMBR-HOTGVXAUSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010760 816719188 /nfs/dbraw/zinc/71/91/88/816719188.db2.gz UHMLBPIQEKVMBR-HOTGVXAUSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010760 816719192 /nfs/dbraw/zinc/71/91/92/816719192.db2.gz UHMLBPIQEKVMBR-HOTGVXAUSA-N 2 1 304.438 -0.068 20 30 DBEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014515 816722070 /nfs/dbraw/zinc/72/20/70/816722070.db2.gz YSDYFLJVAJOJBF-HZPDHXFCSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014515 816722076 /nfs/dbraw/zinc/72/20/76/816722076.db2.gz YSDYFLJVAJOJBF-HZPDHXFCSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014515 816722079 /nfs/dbraw/zinc/72/20/79/816722079.db2.gz YSDYFLJVAJOJBF-HZPDHXFCSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014515 816722084 /nfs/dbraw/zinc/72/20/84/816722084.db2.gz YSDYFLJVAJOJBF-HZPDHXFCSA-N 2 1 322.453 -0.279 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082909 816754043 /nfs/dbraw/zinc/75/40/43/816754043.db2.gz YABXVDRUULXUCJ-INIZCTEOSA-N 2 1 304.438 -0.066 20 30 DBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046083001 816755185 /nfs/dbraw/zinc/75/51/85/816755185.db2.gz ZVVFPNPXDBPOGK-HZPDHXFCSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083001 816755189 /nfs/dbraw/zinc/75/51/89/816755189.db2.gz ZVVFPNPXDBPOGK-HZPDHXFCSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083001 816755190 /nfs/dbraw/zinc/75/51/90/816755190.db2.gz ZVVFPNPXDBPOGK-HZPDHXFCSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047500131 817171164 /nfs/dbraw/zinc/17/11/64/817171164.db2.gz YZNJSAJCCXSWKC-HRCADAONSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047500131 817171170 /nfs/dbraw/zinc/17/11/70/817171170.db2.gz YZNJSAJCCXSWKC-HRCADAONSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047500131 817171174 /nfs/dbraw/zinc/17/11/74/817171174.db2.gz YZNJSAJCCXSWKC-HRCADAONSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047500131 817171180 /nfs/dbraw/zinc/17/11/80/817171180.db2.gz YZNJSAJCCXSWKC-HRCADAONSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047634195 817243315 /nfs/dbraw/zinc/24/33/15/817243315.db2.gz ZBCQVHXSXYSVIF-KKUMJFAQSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047634195 817243324 /nfs/dbraw/zinc/24/33/24/817243324.db2.gz ZBCQVHXSXYSVIF-KKUMJFAQSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047634195 817243332 /nfs/dbraw/zinc/24/33/32/817243332.db2.gz ZBCQVHXSXYSVIF-KKUMJFAQSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047634195 817243339 /nfs/dbraw/zinc/24/33/39/817243339.db2.gz ZBCQVHXSXYSVIF-KKUMJFAQSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833361 817455681 /nfs/dbraw/zinc/45/56/81/817455681.db2.gz NYIJJAHPIONJTJ-FZKCQIBNSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833361 817455685 /nfs/dbraw/zinc/45/56/85/817455685.db2.gz NYIJJAHPIONJTJ-FZKCQIBNSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833361 817455689 /nfs/dbraw/zinc/45/56/89/817455689.db2.gz NYIJJAHPIONJTJ-FZKCQIBNSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862218 817462922 /nfs/dbraw/zinc/46/29/22/817462922.db2.gz UFSJWTMBPAWQLS-OWCLPIDISA-N 2 1 315.421 -0.163 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862218 817462927 /nfs/dbraw/zinc/46/29/27/817462927.db2.gz UFSJWTMBPAWQLS-OWCLPIDISA-N 2 1 315.421 -0.163 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310133 820444091 /nfs/dbraw/zinc/44/40/91/820444091.db2.gz PZSUCCSEFCMDKU-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001114091119 828621342 /nfs/dbraw/zinc/62/13/42/828621342.db2.gz QULOXZLKWCVAHD-BARDWOONSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001114091119 828621346 /nfs/dbraw/zinc/62/13/46/828621346.db2.gz QULOXZLKWCVAHD-BARDWOONSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091119 828621349 /nfs/dbraw/zinc/62/13/49/828621349.db2.gz QULOXZLKWCVAHD-BARDWOONSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)CCO1 ZINC001114091119 828621353 /nfs/dbraw/zinc/62/13/53/828621353.db2.gz QULOXZLKWCVAHD-BARDWOONSA-N 2 1 309.410 -0.434 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558587 824449836 /nfs/dbraw/zinc/44/98/36/824449836.db2.gz YMYPWOHEKAWINQ-KFWWJZLASA-N 2 1 303.410 -0.117 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470292 824640991 /nfs/dbraw/zinc/64/09/91/824640991.db2.gz JWZZAKWUHJRMJU-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469428 824641009 /nfs/dbraw/zinc/64/10/09/824641009.db2.gz SHLIVHFHOFDCET-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469428 824641011 /nfs/dbraw/zinc/64/10/11/824641011.db2.gz SHLIVHFHOFDCET-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655043 824713672 /nfs/dbraw/zinc/71/36/72/824713672.db2.gz SBNQDGIUGYYBLD-WCCAFZKYSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655043 824713683 /nfs/dbraw/zinc/71/36/83/824713683.db2.gz SBNQDGIUGYYBLD-WCCAFZKYSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655043 824713687 /nfs/dbraw/zinc/71/36/87/824713687.db2.gz SBNQDGIUGYYBLD-WCCAFZKYSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114404832 828687945 /nfs/dbraw/zinc/68/79/45/828687945.db2.gz ICPAPSDDOYLINF-LJISPDSOSA-N 2 1 301.394 -0.507 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114404832 828687946 /nfs/dbraw/zinc/68/79/46/828687946.db2.gz ICPAPSDDOYLINF-LJISPDSOSA-N 2 1 301.394 -0.507 20 30 DBEDMP C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114404831 828688208 /nfs/dbraw/zinc/68/82/08/828688208.db2.gz ICPAPSDDOYLINF-BARDWOONSA-N 2 1 301.394 -0.507 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114404831 828688212 /nfs/dbraw/zinc/68/82/12/828688212.db2.gz ICPAPSDDOYLINF-BARDWOONSA-N 2 1 301.394 -0.507 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114420239 828690620 /nfs/dbraw/zinc/69/06/20/828690620.db2.gz FLOJEAHAICOOLA-OWYFMNJBSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001114420239 828690622 /nfs/dbraw/zinc/69/06/22/828690622.db2.gz FLOJEAHAICOOLA-OWYFMNJBSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001114420239 828690625 /nfs/dbraw/zinc/69/06/25/828690625.db2.gz FLOJEAHAICOOLA-OWYFMNJBSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001114420239 828690627 /nfs/dbraw/zinc/69/06/27/828690627.db2.gz FLOJEAHAICOOLA-OWYFMNJBSA-N 2 1 321.421 -0.862 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440462 828695228 /nfs/dbraw/zinc/69/52/28/828695228.db2.gz SVEAEZFEIXRMSP-XNISGKROSA-N 2 1 322.453 -0.079 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114440462 828695230 /nfs/dbraw/zinc/69/52/30/828695230.db2.gz SVEAEZFEIXRMSP-XNISGKROSA-N 2 1 322.453 -0.079 20 30 DBEDMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001114440703 828695510 /nfs/dbraw/zinc/69/55/10/828695510.db2.gz VJBVHVAIOQHSIK-MXYBEHONSA-N 2 1 321.425 -0.741 20 30 DBEDMP CC(C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001114440703 828695513 /nfs/dbraw/zinc/69/55/13/828695513.db2.gz VJBVHVAIOQHSIK-MXYBEHONSA-N 2 1 321.425 -0.741 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@@H]2O)CC1 ZINC001084090066 824887539 /nfs/dbraw/zinc/88/75/39/824887539.db2.gz ILVGVVWFQBPHNS-IMJJTQAJSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](O)C1 ZINC001084090330 824888587 /nfs/dbraw/zinc/88/85/87/824888587.db2.gz VBFLSIKDJMLJCV-CVEARBPZSA-N 2 1 303.406 -0.484 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743965 828735887 /nfs/dbraw/zinc/73/58/87/828735887.db2.gz UBFFIJSHBUVQJX-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114743965 828735891 /nfs/dbraw/zinc/73/58/91/828735891.db2.gz UBFFIJSHBUVQJX-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086110096 825179398 /nfs/dbraw/zinc/17/93/98/825179398.db2.gz SXPNNHAWVHKCGH-FQUUOJAGSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086110096 825179402 /nfs/dbraw/zinc/17/94/02/825179402.db2.gz SXPNNHAWVHKCGH-FQUUOJAGSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090273154 825616871 /nfs/dbraw/zinc/61/68/71/825616871.db2.gz SBMAGSNPMOLBKR-HIFRSBDPSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090273154 825616874 /nfs/dbraw/zinc/61/68/74/825616874.db2.gz SBMAGSNPMOLBKR-HIFRSBDPSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090273159 825617440 /nfs/dbraw/zinc/61/74/40/825617440.db2.gz SBMAGSNPMOLBKR-UKRRQHHQSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090273159 825617443 /nfs/dbraw/zinc/61/74/43/825617443.db2.gz SBMAGSNPMOLBKR-UKRRQHHQSA-N 2 1 319.409 -0.757 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090636040 825770791 /nfs/dbraw/zinc/77/07/91/825770791.db2.gz BXKHFLZFYRIZJN-GJZGRUSLSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001115271692 828821595 /nfs/dbraw/zinc/82/15/95/828821595.db2.gz MQQXRWFEAGOECW-XUWVNRHRSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001115271692 828821605 /nfs/dbraw/zinc/82/16/05/828821605.db2.gz MQQXRWFEAGOECW-XUWVNRHRSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115271692 828821612 /nfs/dbraw/zinc/82/16/12/828821612.db2.gz MQQXRWFEAGOECW-XUWVNRHRSA-N 2 1 323.437 -0.044 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001115271692 828821617 /nfs/dbraw/zinc/82/16/17/828821617.db2.gz MQQXRWFEAGOECW-XUWVNRHRSA-N 2 1 323.437 -0.044 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090830021 825862879 /nfs/dbraw/zinc/86/28/79/825862879.db2.gz HZPFPTMFTCNWMZ-HZPDHXFCSA-N 2 1 323.437 -0.735 20 30 DBEDMP COCC#CC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274014010 833005359 /nfs/dbraw/zinc/00/53/59/833005359.db2.gz CAPYGDVPEMYTIU-HNNXBMFYSA-N 2 1 323.437 -0.157 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274096933 833030445 /nfs/dbraw/zinc/03/04/45/833030445.db2.gz LOAXTIBAXKDNER-APHBUQMISA-N 2 1 303.406 -0.004 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC#CCOC ZINC001274096933 833030448 /nfs/dbraw/zinc/03/04/48/833030448.db2.gz LOAXTIBAXKDNER-APHBUQMISA-N 2 1 303.406 -0.004 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274268053 833053593 /nfs/dbraw/zinc/05/35/93/833053593.db2.gz DQRLNOHVYMZYSM-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566680 826499178 /nfs/dbraw/zinc/49/91/78/826499178.db2.gz IIJOQWVYDQCYNX-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566680 826499182 /nfs/dbraw/zinc/49/91/82/826499182.db2.gz IIJOQWVYDQCYNX-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566680 826499183 /nfs/dbraw/zinc/49/91/83/826499183.db2.gz IIJOQWVYDQCYNX-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](CC)CCO2)CC1 ZINC001098566680 826499188 /nfs/dbraw/zinc/49/91/88/826499188.db2.gz IIJOQWVYDQCYNX-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274367798 833069421 /nfs/dbraw/zinc/06/94/21/833069421.db2.gz GRLQQUMXPPKDIP-MUHKLVGJSA-N 2 1 320.437 -0.272 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892790 826716035 /nfs/dbraw/zinc/71/60/35/826716035.db2.gz PPOKHJZFJYTBDB-GJZGRUSLSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892790 826716038 /nfs/dbraw/zinc/71/60/38/826716038.db2.gz PPOKHJZFJYTBDB-GJZGRUSLSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001274543198 833093099 /nfs/dbraw/zinc/09/30/99/833093099.db2.gz GDMCGJNTNMEUHN-OAHLLOKOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553786 833096598 /nfs/dbraw/zinc/09/65/98/833096598.db2.gz AOFWZXXKHMUDJS-DOTOQJQBSA-N 2 1 323.437 -0.517 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979668 826755315 /nfs/dbraw/zinc/75/53/15/826755315.db2.gz YZBHYHDYMWSEIO-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979668 826755317 /nfs/dbraw/zinc/75/53/17/826755317.db2.gz YZBHYHDYMWSEIO-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036941 826786914 /nfs/dbraw/zinc/78/69/14/826786914.db2.gz PZEPRCTVTSFKAM-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036941 826786916 /nfs/dbraw/zinc/78/69/16/826786916.db2.gz PZEPRCTVTSFKAM-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037216 826787043 /nfs/dbraw/zinc/78/70/43/826787043.db2.gz VYZBQWPHTFSCEO-CABCVRRESA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037216 826787051 /nfs/dbraw/zinc/78/70/51/826787051.db2.gz VYZBQWPHTFSCEO-CABCVRRESA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036943 826787589 /nfs/dbraw/zinc/78/75/89/826787589.db2.gz PZEPRCTVTSFKAM-LSDHHAIUSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036943 826787590 /nfs/dbraw/zinc/78/75/90/826787590.db2.gz PZEPRCTVTSFKAM-LSDHHAIUSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056060 826800419 /nfs/dbraw/zinc/80/04/19/826800419.db2.gz NTTCYDIYQTVQLQ-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056060 826800431 /nfs/dbraw/zinc/80/04/31/826800431.db2.gz NTTCYDIYQTVQLQ-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100055983 826801569 /nfs/dbraw/zinc/80/15/69/826801569.db2.gz MLNFNRDHSRFGGJ-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074160 826827305 /nfs/dbraw/zinc/82/73/05/826827305.db2.gz JTFAFMKEYCUVSX-HUUCEWRRSA-N 2 1 323.437 -0.164 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100082900 826838103 /nfs/dbraw/zinc/83/81/03/826838103.db2.gz JUCQZRPERLFINQ-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100082900 826838114 /nfs/dbraw/zinc/83/81/14/826838114.db2.gz JUCQZRPERLFINQ-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100082900 826838125 /nfs/dbraw/zinc/83/81/25/826838125.db2.gz JUCQZRPERLFINQ-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100082900 826838141 /nfs/dbraw/zinc/83/81/41/826838141.db2.gz JUCQZRPERLFINQ-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616887 833111023 /nfs/dbraw/zinc/11/10/23/833111023.db2.gz QVZJJQHQLFXLQJ-HZPDHXFCSA-N 2 1 311.426 -0.212 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100678564 827001126 /nfs/dbraw/zinc/00/11/26/827001126.db2.gz PBSXUVUYBZZVMW-HSBZDZAISA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100904935 827043285 /nfs/dbraw/zinc/04/32/85/827043285.db2.gz OHZLAJJJPAIYCU-NFOMZHRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001274941497 833142236 /nfs/dbraw/zinc/14/22/36/833142236.db2.gz MUPNHLMSEIVNPB-HNNXBMFYSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001274941497 833142238 /nfs/dbraw/zinc/14/22/38/833142238.db2.gz MUPNHLMSEIVNPB-HNNXBMFYSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815708 827150885 /nfs/dbraw/zinc/15/08/85/827150885.db2.gz PONUAVGUMLVNHW-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815708 827150891 /nfs/dbraw/zinc/15/08/91/827150891.db2.gz PONUAVGUMLVNHW-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815708 827150896 /nfs/dbraw/zinc/15/08/96/827150896.db2.gz PONUAVGUMLVNHW-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001275180458 833156651 /nfs/dbraw/zinc/15/66/51/833156651.db2.gz YBKGPLHBTJPACF-NWDGAFQWSA-N 2 1 305.382 -0.426 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001275284892 833167595 /nfs/dbraw/zinc/16/75/95/833167595.db2.gz VFENFVICEZAHRG-HSBZDZAISA-N 2 1 321.425 -0.548 20 30 DBEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163941107 833184352 /nfs/dbraw/zinc/18/43/52/833184352.db2.gz YANLGMSBJRUQKU-OAHLLOKOSA-N 2 1 323.437 -0.157 20 30 DBEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941107 833184355 /nfs/dbraw/zinc/18/43/55/833184355.db2.gz YANLGMSBJRUQKU-OAHLLOKOSA-N 2 1 323.437 -0.157 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001275729438 833204453 /nfs/dbraw/zinc/20/44/53/833204453.db2.gz MIAMRQCJPMUHFH-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001275729438 833204455 /nfs/dbraw/zinc/20/44/55/833204455.db2.gz MIAMRQCJPMUHFH-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001275849898 833214040 /nfs/dbraw/zinc/21/40/40/833214040.db2.gz JLQSGXPFMYYBBF-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC001164538408 833218161 /nfs/dbraw/zinc/21/81/61/833218161.db2.gz GOXHJQWMFLKLAW-OAHLLOKOSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC)CC1 ZINC001276010289 833233888 /nfs/dbraw/zinc/23/38/88/833233888.db2.gz FWMZCJLIPCDGPX-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677778 833277481 /nfs/dbraw/zinc/27/74/81/833277481.db2.gz MWFXIAKJIGLPBM-ZIAGYGMSSA-N 2 1 308.426 -0.438 20 30 DBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169798435 833344840 /nfs/dbraw/zinc/34/48/40/833344840.db2.gz PBNFMJDFJWKCMO-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001118131023 829038806 /nfs/dbraw/zinc/03/88/06/829038806.db2.gz PXHCRUSZJYCZIQ-STQMWFEESA-N 2 1 309.414 -0.289 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001276390074 833423853 /nfs/dbraw/zinc/42/38/53/833423853.db2.gz WNYVUXIEKXZBPB-IMJJTQAJSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](C[C@H](O)COC)C1 ZINC001276390072 833423982 /nfs/dbraw/zinc/42/39/82/833423982.db2.gz WNYVUXIEKXZBPB-BPUTZDHNSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001176844954 833425310 /nfs/dbraw/zinc/42/53/10/833425310.db2.gz PAYARRVCHHPXCY-OKILXGFUSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128787308 830129965 /nfs/dbraw/zinc/12/99/65/830129965.db2.gz ZFBQHJZVPSESDC-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001129340594 830173394 /nfs/dbraw/zinc/17/33/94/830173394.db2.gz NNNZVEUATGOJMC-CYBMUJFWSA-N 2 1 309.414 -0.690 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370721 830176942 /nfs/dbraw/zinc/17/69/42/830176942.db2.gz ZDSRYAYQMGRYRX-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370721 830176945 /nfs/dbraw/zinc/17/69/45/830176945.db2.gz ZDSRYAYQMGRYRX-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](n2ccnn2)C1 ZINC001129370721 830176946 /nfs/dbraw/zinc/17/69/46/830176946.db2.gz ZDSRYAYQMGRYRX-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129410944 830178893 /nfs/dbraw/zinc/17/88/93/830178893.db2.gz RVVYLGCDWWLJRL-CYBMUJFWSA-N 2 1 309.414 -0.405 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429932 830180405 /nfs/dbraw/zinc/18/04/05/830180405.db2.gz NBMANZSYBKSDQH-AWEZNQCLSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001129770586 830207737 /nfs/dbraw/zinc/20/77/37/830207737.db2.gz JNHWCJHSYZZYJB-CVEARBPZSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@@H]1CCOC1 ZINC001129770586 830207743 /nfs/dbraw/zinc/20/77/43/830207743.db2.gz JNHWCJHSYZZYJB-CVEARBPZSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCC ZINC001129770088 830208512 /nfs/dbraw/zinc/20/85/12/830208512.db2.gz AFVBJMOEMQCQKG-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCCCC ZINC001129770088 830208520 /nfs/dbraw/zinc/20/85/20/830208520.db2.gz AFVBJMOEMQCQKG-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001129770364 830208532 /nfs/dbraw/zinc/20/85/32/830208532.db2.gz FCBGJNQAEKIOHV-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C(C)C ZINC001129770364 830208539 /nfs/dbraw/zinc/20/85/39/830208539.db2.gz FCBGJNQAEKIOHV-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1CC ZINC001129771247 830208719 /nfs/dbraw/zinc/20/87/19/830208719.db2.gz UFSYIWVIGBIXDA-AWEZNQCLSA-N 2 1 304.398 -0.399 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cnnn1CC ZINC001129771247 830208711 /nfs/dbraw/zinc/20/87/11/830208711.db2.gz UFSYIWVIGBIXDA-AWEZNQCLSA-N 2 1 304.398 -0.399 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001129771473 830209894 /nfs/dbraw/zinc/20/98/94/830209894.db2.gz YBHROBPKRHKLAP-AWEZNQCLSA-N 2 1 323.441 -0.503 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)NC(C)C ZINC001129771473 830209901 /nfs/dbraw/zinc/20/99/01/830209901.db2.gz YBHROBPKRHKLAP-AWEZNQCLSA-N 2 1 323.441 -0.503 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130079629 830260536 /nfs/dbraw/zinc/26/05/36/830260536.db2.gz TTYJRDXUTNTADH-KGLIPLIRSA-N 2 1 304.398 -0.405 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130192662 830280694 /nfs/dbraw/zinc/28/06/94/830280694.db2.gz QMBJMMOHRMXVSP-STQMWFEESA-N 2 1 307.398 -0.651 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300153 830292700 /nfs/dbraw/zinc/29/27/00/830292700.db2.gz JLJJHTVYMNJDCK-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132739569 830688748 /nfs/dbraw/zinc/68/87/48/830688748.db2.gz SFSCLANGWOQEQY-CABCVRRESA-N 2 1 322.453 -0.048 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001133824037 830832298 /nfs/dbraw/zinc/83/22/98/830832298.db2.gz WJWXKCVNWSKRML-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865266 830841131 /nfs/dbraw/zinc/84/11/31/830841131.db2.gz BPODUBDOIBRWHP-CYBMUJFWSA-N 2 1 317.393 -0.791 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC001133866946 830843432 /nfs/dbraw/zinc/84/34/32/830843432.db2.gz QAMIFAVVLNBKID-UONOGXRCSA-N 2 1 323.441 -0.348 20 30 DBEDMP Cc1[nH+]cc2n1CC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C2 ZINC001133869975 830845429 /nfs/dbraw/zinc/84/54/29/830845429.db2.gz PELIPFOJFMRIGY-GFCCVEGCSA-N 2 1 318.381 -0.901 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146591082 831285277 /nfs/dbraw/zinc/28/52/77/831285277.db2.gz FUWNJKVNUSGSAW-KBPBESRZSA-N 2 1 310.442 -0.051 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148167817 831432936 /nfs/dbraw/zinc/43/29/36/831432936.db2.gz KGAQKPLOPZKWCW-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148167817 831432939 /nfs/dbraw/zinc/43/29/39/831432939.db2.gz KGAQKPLOPZKWCW-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400279 831529466 /nfs/dbraw/zinc/52/94/66/831529466.db2.gz VOJUKBMLSJRISW-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400279 831529473 /nfs/dbraw/zinc/52/94/73/831529473.db2.gz VOJUKBMLSJRISW-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149400279 831529481 /nfs/dbraw/zinc/52/94/81/831529481.db2.gz VOJUKBMLSJRISW-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149400279 831529487 /nfs/dbraw/zinc/52/94/87/831529487.db2.gz VOJUKBMLSJRISW-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400277 831529558 /nfs/dbraw/zinc/52/95/58/831529558.db2.gz VOJUKBMLSJRISW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400277 831529561 /nfs/dbraw/zinc/52/95/61/831529561.db2.gz VOJUKBMLSJRISW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149400277 831529566 /nfs/dbraw/zinc/52/95/66/831529566.db2.gz VOJUKBMLSJRISW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149400277 831529571 /nfs/dbraw/zinc/52/95/71/831529571.db2.gz VOJUKBMLSJRISW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590083 831631833 /nfs/dbraw/zinc/63/18/33/831631833.db2.gz YIRIHIRFYGQDBY-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ccn(C)n2)CC1 ZINC001152334580 831741973 /nfs/dbraw/zinc/74/19/73/831741973.db2.gz IYFQTMJTESTIHI-UHFFFAOYSA-N 2 1 303.410 -0.029 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001152521917 831759719 /nfs/dbraw/zinc/75/97/19/831759719.db2.gz FOYAYVIYRDLBCV-OAHLLOKOSA-N 2 1 317.393 -0.365 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC001152530179 831760713 /nfs/dbraw/zinc/76/07/13/831760713.db2.gz USUNHASSFAWQBI-MRXNPFEDSA-N 2 1 316.405 -0.256 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N)[NH+](C)C ZINC001154013050 831856911 /nfs/dbraw/zinc/85/69/11/831856911.db2.gz SLWOVYGVILRIKZ-CHWSQXEVSA-N 2 1 311.430 -0.207 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N)[NH+](C)C ZINC001154013050 831856919 /nfs/dbraw/zinc/85/69/19/831856919.db2.gz SLWOVYGVILRIKZ-CHWSQXEVSA-N 2 1 311.430 -0.207 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155812508 831954590 /nfs/dbraw/zinc/95/45/90/831954590.db2.gz NXBMYIKPWPUTJP-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409473 831982847 /nfs/dbraw/zinc/98/28/47/831982847.db2.gz NAVYNJYCFRRHRM-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409473 831982850 /nfs/dbraw/zinc/98/28/50/831982850.db2.gz NAVYNJYCFRRHRM-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890218 832008693 /nfs/dbraw/zinc/00/86/93/832008693.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890218 832008697 /nfs/dbraw/zinc/00/86/97/832008697.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156890218 832008701 /nfs/dbraw/zinc/00/87/01/832008701.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156890218 832008707 /nfs/dbraw/zinc/00/87/07/832008707.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156890218 832008711 /nfs/dbraw/zinc/00/87/11/832008711.db2.gz JTAVZUGXGVNPHT-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001158396673 832108728 /nfs/dbraw/zinc/10/87/28/832108728.db2.gz DFUCJLWGMBZFKH-QWHCGFSZSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412086 832110094 /nfs/dbraw/zinc/11/00/94/832110094.db2.gz LUFFGKNOOZMYCH-SOUVJXGZSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001269198794 832161254 /nfs/dbraw/zinc/16/12/54/832161254.db2.gz BWWTZFWTMHRNEZ-MRXNPFEDSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269296316 832410236 /nfs/dbraw/zinc/41/02/36/832410236.db2.gz LSMGGRSNPWAZFS-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269296316 832410238 /nfs/dbraw/zinc/41/02/38/832410238.db2.gz LSMGGRSNPWAZFS-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269296316 832410243 /nfs/dbraw/zinc/41/02/43/832410243.db2.gz LSMGGRSNPWAZFS-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269296316 832410250 /nfs/dbraw/zinc/41/02/50/832410250.db2.gz LSMGGRSNPWAZFS-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269296316 832410252 /nfs/dbraw/zinc/41/02/52/832410252.db2.gz LSMGGRSNPWAZFS-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001269544390 832446626 /nfs/dbraw/zinc/44/66/26/832446626.db2.gz DOYGBXUZWLNWBE-CQSZACIVSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001270525058 832543586 /nfs/dbraw/zinc/54/35/86/832543586.db2.gz DCKKODUAXXRCQM-NWDGAFQWSA-N 2 1 305.382 -0.568 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001270525059 832544053 /nfs/dbraw/zinc/54/40/53/832544053.db2.gz DCKKODUAXXRCQM-RYUDHWBXSA-N 2 1 305.382 -0.568 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186817544 833879070 /nfs/dbraw/zinc/87/90/70/833879070.db2.gz WZBQWLJSYDKBBS-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001270994135 832604229 /nfs/dbraw/zinc/60/42/29/832604229.db2.gz BDTVDHOZJDQQHZ-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001271458553 832670711 /nfs/dbraw/zinc/67/07/11/832670711.db2.gz NQWQFZXGKTZADS-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001271841053 832706330 /nfs/dbraw/zinc/70/63/30/832706330.db2.gz YUQZCIGAHSPURY-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271841053 832706335 /nfs/dbraw/zinc/70/63/35/832706335.db2.gz YUQZCIGAHSPURY-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271841053 832706341 /nfs/dbraw/zinc/70/63/41/832706341.db2.gz YUQZCIGAHSPURY-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001272865544 832845107 /nfs/dbraw/zinc/84/51/07/832845107.db2.gz MFPAOTRDBJJTFE-QWHCGFSZSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272914737 832852500 /nfs/dbraw/zinc/85/25/00/832852500.db2.gz QSKCNDVDIMCJMU-TZMCWYRMSA-N 2 1 319.409 -0.186 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159875918 832854668 /nfs/dbraw/zinc/85/46/68/832854668.db2.gz CTWLJTGTPBFCPR-HNNXBMFYSA-N 2 1 321.425 -0.441 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC=C ZINC001160209203 832882631 /nfs/dbraw/zinc/88/26/31/832882631.db2.gz CVDDSNZWGNTGCM-GJZGRUSLSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NCC=C ZINC001160209203 832882638 /nfs/dbraw/zinc/88/26/38/832882638.db2.gz CVDDSNZWGNTGCM-GJZGRUSLSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCC ZINC001160197843 832883231 /nfs/dbraw/zinc/88/32/31/832883231.db2.gz KBHGQSXVHCJROE-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCCC ZINC001160197843 832883244 /nfs/dbraw/zinc/88/32/44/832883244.db2.gz KBHGQSXVHCJROE-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001160197693 832884140 /nfs/dbraw/zinc/88/41/40/832884140.db2.gz CZACBUCOCKSQQG-AWEZNQCLSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC1CC1 ZINC001160197693 832884151 /nfs/dbraw/zinc/88/41/51/832884151.db2.gz CZACBUCOCKSQQG-AWEZNQCLSA-N 2 1 306.410 -0.542 20 30 DBEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881706 832978679 /nfs/dbraw/zinc/97/86/79/832978679.db2.gz QBPRCHSYYAFUIU-CZUORRHYSA-N 2 1 309.410 -0.064 20 30 DBEDMP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001276650560 833447751 /nfs/dbraw/zinc/44/77/51/833447751.db2.gz IXUIMAAUOJPOMD-LVQVYYBASA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001276650560 833447752 /nfs/dbraw/zinc/44/77/52/833447752.db2.gz IXUIMAAUOJPOMD-LVQVYYBASA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001276650560 833447753 /nfs/dbraw/zinc/44/77/53/833447753.db2.gz IXUIMAAUOJPOMD-LVQVYYBASA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001276650560 833447754 /nfs/dbraw/zinc/44/77/54/833447754.db2.gz IXUIMAAUOJPOMD-LVQVYYBASA-N 2 1 321.421 -0.739 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178045729 833489196 /nfs/dbraw/zinc/48/91/96/833489196.db2.gz SYJXBIIECUDWLK-AWEZNQCLSA-N 2 1 323.441 -0.013 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178722802 833521516 /nfs/dbraw/zinc/52/15/16/833521516.db2.gz OQEAKAUSORPRCG-AWEZNQCLSA-N 2 1 308.426 -0.165 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCCCC[NH2+]CC(N)=O ZINC001178722802 833521521 /nfs/dbraw/zinc/52/15/21/833521521.db2.gz OQEAKAUSORPRCG-AWEZNQCLSA-N 2 1 308.426 -0.165 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001179935299 833564685 /nfs/dbraw/zinc/56/46/85/833564685.db2.gz ALGBVTNHJXBXAB-IHRRRGAJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183354292 833714316 /nfs/dbraw/zinc/71/43/16/833714316.db2.gz ZVJXGTDFBFFJBG-CABCVRRESA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001183354292 833714317 /nfs/dbraw/zinc/71/43/17/833714317.db2.gz ZVJXGTDFBFFJBG-CABCVRRESA-N 2 1 318.421 -0.447 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001184877113 833774209 /nfs/dbraw/zinc/77/42/09/833774209.db2.gz RMNXLKQBNBEIFM-MGPQQGTHSA-N 2 1 308.426 -0.038 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001186817545 833878096 /nfs/dbraw/zinc/87/80/96/833878096.db2.gz WZBQWLJSYDKBBS-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276798114 833898832 /nfs/dbraw/zinc/89/88/32/833898832.db2.gz BXQXPOKQNZFFQH-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001187982133 833961233 /nfs/dbraw/zinc/96/12/33/833961233.db2.gz GCXQXKTXUMWAOQ-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982133 833961240 /nfs/dbraw/zinc/96/12/40/833961240.db2.gz GCXQXKTXUMWAOQ-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388390 834072870 /nfs/dbraw/zinc/07/28/70/834072870.db2.gz FJGAQDJKNDRVNL-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388390 834072881 /nfs/dbraw/zinc/07/28/81/834072881.db2.gz FJGAQDJKNDRVNL-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189388390 834072889 /nfs/dbraw/zinc/07/28/89/834072889.db2.gz FJGAQDJKNDRVNL-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189388390 834072903 /nfs/dbraw/zinc/07/29/03/834072903.db2.gz FJGAQDJKNDRVNL-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388391 834073376 /nfs/dbraw/zinc/07/33/76/834073376.db2.gz FJGAQDJKNDRVNL-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189388391 834073385 /nfs/dbraw/zinc/07/33/85/834073385.db2.gz FJGAQDJKNDRVNL-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189388391 834073392 /nfs/dbraw/zinc/07/33/92/834073392.db2.gz FJGAQDJKNDRVNL-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189388391 834073404 /nfs/dbraw/zinc/07/34/04/834073404.db2.gz FJGAQDJKNDRVNL-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655140 834177035 /nfs/dbraw/zinc/17/70/35/834177035.db2.gz NTJPKGATZNLLBP-ZBFHGGJFSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655140 834177038 /nfs/dbraw/zinc/17/70/38/834177038.db2.gz NTJPKGATZNLLBP-ZBFHGGJFSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190674992 834179500 /nfs/dbraw/zinc/17/95/00/834179500.db2.gz FSKSCGAZYOYROH-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190674992 834179506 /nfs/dbraw/zinc/17/95/06/834179506.db2.gz FSKSCGAZYOYROH-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190674992 834179509 /nfs/dbraw/zinc/17/95/09/834179509.db2.gz FSKSCGAZYOYROH-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190674992 834179514 /nfs/dbraw/zinc/17/95/14/834179514.db2.gz FSKSCGAZYOYROH-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019128 834213290 /nfs/dbraw/zinc/21/32/90/834213290.db2.gz JMPHFIZSUYNRKC-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191019128 834213294 /nfs/dbraw/zinc/21/32/94/834213294.db2.gz JMPHFIZSUYNRKC-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191019128 834213300 /nfs/dbraw/zinc/21/33/00/834213300.db2.gz JMPHFIZSUYNRKC-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191019128 834213306 /nfs/dbraw/zinc/21/33/06/834213306.db2.gz JMPHFIZSUYNRKC-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246045457 834413624 /nfs/dbraw/zinc/41/36/24/834413624.db2.gz KJOFXZJSWBYXIE-GAGVYUBLSA-N 2 1 322.405 -0.672 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCNC2(C[NH2+]C2)C1 ZINC001246307681 834428941 /nfs/dbraw/zinc/42/89/41/834428941.db2.gz NHAKGCZYZPZFBP-KBPBESRZSA-N 3 1 310.442 -0.103 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193278633 834480465 /nfs/dbraw/zinc/48/04/65/834480465.db2.gz IGZBSXRAJQQISC-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193278633 834480471 /nfs/dbraw/zinc/48/04/71/834480471.db2.gz IGZBSXRAJQQISC-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193278633 834480474 /nfs/dbraw/zinc/48/04/74/834480474.db2.gz IGZBSXRAJQQISC-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193278633 834480481 /nfs/dbraw/zinc/48/04/81/834480481.db2.gz IGZBSXRAJQQISC-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193291200 834481317 /nfs/dbraw/zinc/48/13/17/834481317.db2.gz FWJGETVPFJGEJL-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193291200 834481342 /nfs/dbraw/zinc/48/13/42/834481342.db2.gz FWJGETVPFJGEJL-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193291200 834481343 /nfs/dbraw/zinc/48/13/43/834481343.db2.gz FWJGETVPFJGEJL-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193291200 834481348 /nfs/dbraw/zinc/48/13/48/834481348.db2.gz FWJGETVPFJGEJL-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193600426 834513113 /nfs/dbraw/zinc/51/31/13/834513113.db2.gz CQMIUIHYJOREDQ-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193600426 834513117 /nfs/dbraw/zinc/51/31/17/834513117.db2.gz CQMIUIHYJOREDQ-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193600426 834513123 /nfs/dbraw/zinc/51/31/23/834513123.db2.gz CQMIUIHYJOREDQ-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[NH+](C)CCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193600426 834513128 /nfs/dbraw/zinc/51/31/28/834513128.db2.gz CQMIUIHYJOREDQ-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001995 834555538 /nfs/dbraw/zinc/55/55/38/834555538.db2.gz MFNOOOLQTFVQFT-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001995 834555544 /nfs/dbraw/zinc/55/55/44/834555544.db2.gz MFNOOOLQTFVQFT-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001995 834555553 /nfs/dbraw/zinc/55/55/53/834555553.db2.gz MFNOOOLQTFVQFT-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001995 834555560 /nfs/dbraw/zinc/55/55/60/834555560.db2.gz MFNOOOLQTFVQFT-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001996 834556342 /nfs/dbraw/zinc/55/63/42/834556342.db2.gz MFNOOOLQTFVQFT-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194001996 834556346 /nfs/dbraw/zinc/55/63/46/834556346.db2.gz MFNOOOLQTFVQFT-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194001996 834556350 /nfs/dbraw/zinc/55/63/50/834556350.db2.gz MFNOOOLQTFVQFT-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194001996 834556353 /nfs/dbraw/zinc/55/63/53/834556353.db2.gz MFNOOOLQTFVQFT-ZIAGYGMSSA-N 2 1 306.410 -0.780 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001194054387 834561796 /nfs/dbraw/zinc/56/17/96/834561796.db2.gz LAWMUNSLBFNWNT-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001194054387 834561805 /nfs/dbraw/zinc/56/18/05/834561805.db2.gz LAWMUNSLBFNWNT-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054387 834561813 /nfs/dbraw/zinc/56/18/13/834561813.db2.gz LAWMUNSLBFNWNT-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001194054387 834561820 /nfs/dbraw/zinc/56/18/20/834561820.db2.gz LAWMUNSLBFNWNT-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001197792604 834905185 /nfs/dbraw/zinc/90/51/85/834905185.db2.gz NSFFJEPUWDEIFJ-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792604 834905192 /nfs/dbraw/zinc/90/51/92/834905192.db2.gz NSFFJEPUWDEIFJ-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001197792604 834905204 /nfs/dbraw/zinc/90/52/04/834905204.db2.gz NSFFJEPUWDEIFJ-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC)C[C@H]2O)CC1 ZINC001199029039 834981443 /nfs/dbraw/zinc/98/14/43/834981443.db2.gz DCBVSGJDWDCFHC-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@H]2O)CC1 ZINC001199029597 834982222 /nfs/dbraw/zinc/98/22/22/834982222.db2.gz MHNJGFHYERAPNK-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)[C@H]1CC ZINC001264047667 835004404 /nfs/dbraw/zinc/00/44/04/835004404.db2.gz LZSSXXIUZBNQEU-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCN2C)[C@H]1CC ZINC001264047667 835004415 /nfs/dbraw/zinc/00/44/15/835004415.db2.gz LZSSXXIUZBNQEU-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264440489 835032016 /nfs/dbraw/zinc/03/20/16/835032016.db2.gz DJDPIAONUBWHPA-KKUMJFAQSA-N 2 1 322.453 -0.051 20 30 DBEDMP CC#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001264756315 835052565 /nfs/dbraw/zinc/05/25/65/835052565.db2.gz BAURYURXIBWWAF-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001264756315 835052577 /nfs/dbraw/zinc/05/25/77/835052577.db2.gz BAURYURXIBWWAF-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001264756315 835052585 /nfs/dbraw/zinc/05/25/85/835052585.db2.gz BAURYURXIBWWAF-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001264756315 835052593 /nfs/dbraw/zinc/05/25/93/835052593.db2.gz BAURYURXIBWWAF-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCCO1 ZINC001200123019 835095726 /nfs/dbraw/zinc/09/57/26/835095726.db2.gz KHZVGKSRHHXUOB-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001265257651 835116132 /nfs/dbraw/zinc/11/61/32/835116132.db2.gz KBAKFRLTCCNABS-OAHLLOKOSA-N 2 1 310.442 -0.373 20 30 DBEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001265257651 835116133 /nfs/dbraw/zinc/11/61/33/835116133.db2.gz KBAKFRLTCCNABS-OAHLLOKOSA-N 2 1 310.442 -0.373 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001265502947 835148177 /nfs/dbraw/zinc/14/81/77/835148177.db2.gz CZRORLINGDVGKJ-MGPQQGTHSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265558310 835153476 /nfs/dbraw/zinc/15/34/76/835153476.db2.gz UVUAEMSWDNBFGA-TUVASFSCSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCCO1 ZINC001201245244 835177341 /nfs/dbraw/zinc/17/73/41/835177341.db2.gz DXINPAOSGRYTLM-JKSUJKDBSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCO1 ZINC001201245244 835177346 /nfs/dbraw/zinc/17/73/46/835177346.db2.gz DXINPAOSGRYTLM-JKSUJKDBSA-N 2 1 323.437 -0.064 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265967807 835210540 /nfs/dbraw/zinc/21/05/40/835210540.db2.gz YUEYAWZTFRIBSY-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265967807 835210544 /nfs/dbraw/zinc/21/05/44/835210544.db2.gz YUEYAWZTFRIBSY-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266028750 835218871 /nfs/dbraw/zinc/21/88/71/835218871.db2.gz CNLXURQSQUNQEZ-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266028749 835218991 /nfs/dbraw/zinc/21/89/91/835218991.db2.gz CNLXURQSQUNQEZ-GJZGRUSLSA-N 2 1 320.437 -0.484 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC(=O)NCC#N)C1CC1 ZINC001266126377 835234464 /nfs/dbraw/zinc/23/44/64/835234464.db2.gz VTORBMZCVVDXBI-CQSZACIVSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266126377 835234468 /nfs/dbraw/zinc/23/44/68/835234468.db2.gz VTORBMZCVVDXBI-CQSZACIVSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266126377 835234471 /nfs/dbraw/zinc/23/44/71/835234471.db2.gz VTORBMZCVVDXBI-CQSZACIVSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(N)=O ZINC001266220208 835250692 /nfs/dbraw/zinc/25/06/92/835250692.db2.gz PLSHLQTVZMNVFD-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC(N)=O ZINC001266220208 835250697 /nfs/dbraw/zinc/25/06/97/835250697.db2.gz PLSHLQTVZMNVFD-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(N)=O ZINC001266220208 835250702 /nfs/dbraw/zinc/25/07/02/835250702.db2.gz PLSHLQTVZMNVFD-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC(N)=O ZINC001266220208 835250707 /nfs/dbraw/zinc/25/07/07/835250707.db2.gz PLSHLQTVZMNVFD-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001203708933 835305716 /nfs/dbraw/zinc/30/57/16/835305716.db2.gz HKLFUIJAYUSHQY-UHFFFAOYSA-N 2 1 317.393 -0.478 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266505126 835322098 /nfs/dbraw/zinc/32/20/98/835322098.db2.gz DCKLLDJFVYZZKK-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266505126 835322101 /nfs/dbraw/zinc/32/21/01/835322101.db2.gz DCKLLDJFVYZZKK-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266505126 835322105 /nfs/dbraw/zinc/32/21/05/835322105.db2.gz DCKLLDJFVYZZKK-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266505126 835322108 /nfs/dbraw/zinc/32/21/08/835322108.db2.gz DCKLLDJFVYZZKK-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551281 835337173 /nfs/dbraw/zinc/33/71/73/835337173.db2.gz OVEHZXIVPRAJBK-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551281 835337179 /nfs/dbraw/zinc/33/71/79/835337179.db2.gz OVEHZXIVPRAJBK-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551281 835337188 /nfs/dbraw/zinc/33/71/88/835337188.db2.gz OVEHZXIVPRAJBK-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001205479818 835344949 /nfs/dbraw/zinc/34/49/49/835344949.db2.gz YSWXCDIWOMDXCB-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NC)CC1 ZINC001205479818 835344960 /nfs/dbraw/zinc/34/49/60/835344960.db2.gz YSWXCDIWOMDXCB-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266995843 835424406 /nfs/dbraw/zinc/42/44/06/835424406.db2.gz WFJMAHZMQDYQLV-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206890217 835424662 /nfs/dbraw/zinc/42/46/62/835424662.db2.gz HABIPXGAAMTPLE-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267115304 835445026 /nfs/dbraw/zinc/44/50/26/835445026.db2.gz SQZWOJHVQYCPHT-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267115304 835445030 /nfs/dbraw/zinc/44/50/30/835445030.db2.gz SQZWOJHVQYCPHT-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267115304 835445035 /nfs/dbraw/zinc/44/50/35/835445035.db2.gz SQZWOJHVQYCPHT-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267115304 835445039 /nfs/dbraw/zinc/44/50/39/835445039.db2.gz SQZWOJHVQYCPHT-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CCC1 ZINC001267295063 835479227 /nfs/dbraw/zinc/47/92/27/835479227.db2.gz QAFUZGQVABZEPV-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](C)C1(C(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCC1 ZINC001267295063 835479229 /nfs/dbraw/zinc/47/92/29/835479229.db2.gz QAFUZGQVABZEPV-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CCC1 ZINC001267295064 835479383 /nfs/dbraw/zinc/47/93/83/835479383.db2.gz QAFUZGQVABZEPV-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](C)C1(C(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CCC1 ZINC001267295064 835479387 /nfs/dbraw/zinc/47/93/87/835479387.db2.gz QAFUZGQVABZEPV-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267604854 835538520 /nfs/dbraw/zinc/53/85/20/835538520.db2.gz GSJJJFFDBJVNKK-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267604854 835538528 /nfs/dbraw/zinc/53/85/28/835538528.db2.gz GSJJJFFDBJVNKK-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267604854 835538531 /nfs/dbraw/zinc/53/85/31/835538531.db2.gz GSJJJFFDBJVNKK-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267730556 835579229 /nfs/dbraw/zinc/57/92/29/835579229.db2.gz RJMHIDLJXDWPJP-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267730556 835579233 /nfs/dbraw/zinc/57/92/33/835579233.db2.gz RJMHIDLJXDWPJP-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC#N ZINC001267804935 835600611 /nfs/dbraw/zinc/60/06/11/835600611.db2.gz MRERZMDAQJNWTD-HZSPNIEDSA-N 2 1 323.441 -0.159 20 30 DBEDMP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831967 835604913 /nfs/dbraw/zinc/60/49/13/835604913.db2.gz VXLCZGCKXFPAPQ-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966650 835614755 /nfs/dbraw/zinc/61/47/55/835614755.db2.gz NWNNMHNAWPRWEX-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966650 835614758 /nfs/dbraw/zinc/61/47/58/835614758.db2.gz NWNNMHNAWPRWEX-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C ZINC001267970362 835614823 /nfs/dbraw/zinc/61/48/23/835614823.db2.gz SGAPXBDFMQXHFF-CQSZACIVSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001268066801 835627609 /nfs/dbraw/zinc/62/76/09/835627609.db2.gz CFBBPOWYDWCCPK-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001268066801 835627611 /nfs/dbraw/zinc/62/76/11/835627611.db2.gz CFBBPOWYDWCCPK-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268098552 835631825 /nfs/dbraw/zinc/63/18/25/835631825.db2.gz UAJSGCXKQALFNB-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001268138210 835635973 /nfs/dbraw/zinc/63/59/73/835635973.db2.gz AWIVEIXOGVFTFX-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268233411 835642185 /nfs/dbraw/zinc/64/21/85/835642185.db2.gz SBGZEDOMDFOFRI-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268233411 835642187 /nfs/dbraw/zinc/64/21/87/835642187.db2.gz SBGZEDOMDFOFRI-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268233411 835642190 /nfs/dbraw/zinc/64/21/90/835642190.db2.gz SBGZEDOMDFOFRI-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268233411 835642192 /nfs/dbraw/zinc/64/21/92/835642192.db2.gz SBGZEDOMDFOFRI-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001268306975 835655780 /nfs/dbraw/zinc/65/57/80/835655780.db2.gz DDMRWTICUARTJZ-CABCVRRESA-N 2 1 319.409 -0.916 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1ccnn1C ZINC001268306975 835655782 /nfs/dbraw/zinc/65/57/82/835655782.db2.gz DDMRWTICUARTJZ-CABCVRRESA-N 2 1 319.409 -0.916 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268380129 835682030 /nfs/dbraw/zinc/68/20/30/835682030.db2.gz YEYUSYLCMFWAKE-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734594 835792760 /nfs/dbraw/zinc/79/27/60/835792760.db2.gz YAUSZSYVFNBOCL-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734594 835792764 /nfs/dbraw/zinc/79/27/64/835792764.db2.gz YAUSZSYVFNBOCL-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746885 835796180 /nfs/dbraw/zinc/79/61/80/835796180.db2.gz OGPFGQBYAFQRLQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746885 835796189 /nfs/dbraw/zinc/79/61/89/835796189.db2.gz OGPFGQBYAFQRLQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268746885 835796201 /nfs/dbraw/zinc/79/62/01/835796201.db2.gz OGPFGQBYAFQRLQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268746885 835796206 /nfs/dbraw/zinc/79/62/06/835796206.db2.gz OGPFGQBYAFQRLQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750447 835797825 /nfs/dbraw/zinc/79/78/25/835797825.db2.gz AKSDZOKBVJUKSN-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750447 835797836 /nfs/dbraw/zinc/79/78/36/835797836.db2.gz AKSDZOKBVJUKSN-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268750447 835797847 /nfs/dbraw/zinc/79/78/47/835797847.db2.gz AKSDZOKBVJUKSN-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268750447 835797854 /nfs/dbraw/zinc/79/78/54/835797854.db2.gz AKSDZOKBVJUKSN-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268759014 835803081 /nfs/dbraw/zinc/80/30/81/835803081.db2.gz HTAWKBSRJOXCEJ-KBPBESRZSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268759014 835803086 /nfs/dbraw/zinc/80/30/86/835803086.db2.gz HTAWKBSRJOXCEJ-KBPBESRZSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759014 835803095 /nfs/dbraw/zinc/80/30/95/835803095.db2.gz HTAWKBSRJOXCEJ-KBPBESRZSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759014 835803103 /nfs/dbraw/zinc/80/31/03/835803103.db2.gz HTAWKBSRJOXCEJ-KBPBESRZSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001485390227 1013182846 /nfs/dbraw/zinc/18/28/46/1013182846.db2.gz YDHYFELBCVVDAJ-CHWSQXEVSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001485390227 1013182858 /nfs/dbraw/zinc/18/28/58/1013182858.db2.gz YDHYFELBCVVDAJ-CHWSQXEVSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001486278307 1013777359 /nfs/dbraw/zinc/77/73/59/1013777359.db2.gz NBSGVDIHSPLRQL-IUODEOHRSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001486278307 1013777382 /nfs/dbraw/zinc/77/73/82/1013777382.db2.gz NBSGVDIHSPLRQL-IUODEOHRSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@H+](C)CCCO ZINC001486340272 1013821755 /nfs/dbraw/zinc/82/17/55/1013821755.db2.gz HCLNTHGKZKCRHF-CABCVRRESA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[N@@H+](C)CCCO ZINC001486340272 1013821760 /nfs/dbraw/zinc/82/17/60/1013821760.db2.gz HCLNTHGKZKCRHF-CABCVRRESA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCO ZINC001486340272 1013821763 /nfs/dbraw/zinc/82/17/63/1013821763.db2.gz HCLNTHGKZKCRHF-CABCVRRESA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH+](C)CCCO ZINC001486340272 1013821767 /nfs/dbraw/zinc/82/17/67/1013821767.db2.gz HCLNTHGKZKCRHF-CABCVRRESA-N 2 1 311.426 -0.783 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001185158151 978161132 /nfs/dbraw/zinc/16/11/32/978161132.db2.gz NMJGDCMXXIJHEC-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207685148 978233167 /nfs/dbraw/zinc/23/31/67/978233167.db2.gz XLXIMNOIASFTMZ-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[N@@H+](CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001208340781 978345306 /nfs/dbraw/zinc/34/53/06/978345306.db2.gz PTRUCZMUDHIKSR-CYBMUJFWSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424410 978362162 /nfs/dbraw/zinc/36/21/62/978362162.db2.gz YLTMCOBRALQUQS-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410702 978362818 /nfs/dbraw/zinc/36/28/18/978362818.db2.gz CNPJQECCYNDLRG-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410702 978362831 /nfs/dbraw/zinc/36/28/31/978362831.db2.gz CNPJQECCYNDLRG-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438453 978366259 /nfs/dbraw/zinc/36/62/59/978366259.db2.gz WFGFLGZVSPXZAS-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208438453 978366271 /nfs/dbraw/zinc/36/62/71/978366271.db2.gz WFGFLGZVSPXZAS-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040252 978492223 /nfs/dbraw/zinc/49/22/23/978492223.db2.gz DIHCRWVDPIBWRB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040252 978492226 /nfs/dbraw/zinc/49/22/26/978492226.db2.gz DIHCRWVDPIBWRB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040252 978492228 /nfs/dbraw/zinc/49/22/28/978492228.db2.gz DIHCRWVDPIBWRB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040252 978492230 /nfs/dbraw/zinc/49/22/30/978492230.db2.gz DIHCRWVDPIBWRB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210481906 978516242 /nfs/dbraw/zinc/51/62/42/978516242.db2.gz GSSYNVHIRWKFGT-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673865 978525314 /nfs/dbraw/zinc/52/53/14/978525314.db2.gz IKUZUVQHIJGDIA-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674270 978525777 /nfs/dbraw/zinc/52/57/77/978525777.db2.gz QKWYEYCEKFMHIH-ZIAGYGMSSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1C ZINC001214661817 978746876 /nfs/dbraw/zinc/74/68/76/978746876.db2.gz FTWRHAMTFOJDFT-KBUPBQIOSA-N 2 1 320.437 -0.488 20 30 DBEDMP C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216383046 978785838 /nfs/dbraw/zinc/78/58/38/978785838.db2.gz HBLKVMUOIVRJFU-HZSPNIEDSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216515974 978788266 /nfs/dbraw/zinc/78/82/66/978788266.db2.gz WHQLTGOMNRNUDM-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754010 978793309 /nfs/dbraw/zinc/79/33/09/978793309.db2.gz DFZBRUHZYUTXOH-MGPQQGTHSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001488718616 1014531303 /nfs/dbraw/zinc/53/13/03/1014531303.db2.gz XJUJBZWUOAEPRX-HZSPNIEDSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOC)C[C@@H]1O ZINC001219821732 979023554 /nfs/dbraw/zinc/02/35/54/979023554.db2.gz VSHRLNNPFQCVIP-ILXRZTDVSA-N 2 1 309.410 -0.718 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867271 979034627 /nfs/dbraw/zinc/03/46/27/979034627.db2.gz LAWMUNSLBFNWNT-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867271 979034633 /nfs/dbraw/zinc/03/46/33/979034633.db2.gz LAWMUNSLBFNWNT-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867271 979034636 /nfs/dbraw/zinc/03/46/36/979034636.db2.gz LAWMUNSLBFNWNT-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867271 979034639 /nfs/dbraw/zinc/03/46/39/979034639.db2.gz LAWMUNSLBFNWNT-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877419 979035938 /nfs/dbraw/zinc/03/59/38/979035938.db2.gz FFPXLUWDEWKDGS-CABCVRRESA-N 2 1 323.437 -0.471 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755385 979273850 /nfs/dbraw/zinc/27/38/50/979273850.db2.gz NSFFJEPUWDEIFJ-ZNMIVQPWSA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001488794098 1014568236 /nfs/dbraw/zinc/56/82/36/1014568236.db2.gz LWPOMFXSRHWGHW-OKILXGFUSA-N 2 1 317.393 -0.575 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020122 979350877 /nfs/dbraw/zinc/35/08/77/979350877.db2.gz HJSSSSAJGPIICA-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020122 979350888 /nfs/dbraw/zinc/35/08/88/979350888.db2.gz HJSSSSAJGPIICA-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020122 979350898 /nfs/dbraw/zinc/35/08/98/979350898.db2.gz HJSSSSAJGPIICA-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020122 979350909 /nfs/dbraw/zinc/35/09/09/979350909.db2.gz HJSSSSAJGPIICA-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCC)C[C@@H]2O)CC1 ZINC001221079015 979357614 /nfs/dbraw/zinc/35/76/14/979357614.db2.gz DCBVSGJDWDCFHC-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001222640902 979522892 /nfs/dbraw/zinc/52/28/92/979522892.db2.gz DQRJFOHXWSBPSL-AWEZNQCLSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001222640902 979522894 /nfs/dbraw/zinc/52/28/94/979522894.db2.gz DQRJFOHXWSBPSL-AWEZNQCLSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)CC[N@H+](C)CC)CC1 ZINC001225087905 979592138 /nfs/dbraw/zinc/59/21/38/979592138.db2.gz PNZZHBZUDZFPOM-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225428245 979596732 /nfs/dbraw/zinc/59/67/32/979596732.db2.gz YYNWSHIVPOKUJW-AWEZNQCLSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225428245 979596739 /nfs/dbraw/zinc/59/67/39/979596739.db2.gz YYNWSHIVPOKUJW-AWEZNQCLSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001227980234 979669208 /nfs/dbraw/zinc/66/92/08/979669208.db2.gz PQAVBHDXODYNPX-CQSZACIVSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331530261 979886185 /nfs/dbraw/zinc/88/61/85/979886185.db2.gz AEVUCEFCMIDFMC-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488879264 1014624428 /nfs/dbraw/zinc/62/44/28/1014624428.db2.gz YEDBDCRVAZJMRZ-MGPQQGTHSA-N 2 1 308.426 -0.275 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001349170440 980419487 /nfs/dbraw/zinc/41/94/87/980419487.db2.gz RWGFLOZIHPWQAK-OLZOCXBDSA-N 2 1 307.398 -0.570 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001356780623 980983354 /nfs/dbraw/zinc/98/33/54/980983354.db2.gz FMIZNAQUSKXQQN-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+](C)CCC)C1 ZINC001356780623 980983365 /nfs/dbraw/zinc/98/33/65/980983365.db2.gz FMIZNAQUSKXQQN-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](C)CCC)C1 ZINC001356780623 980983372 /nfs/dbraw/zinc/98/33/72/980983372.db2.gz FMIZNAQUSKXQQN-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](C)CCC)C1 ZINC001356780623 980983379 /nfs/dbraw/zinc/98/33/79/980983379.db2.gz FMIZNAQUSKXQQN-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NCC#N ZINC001490255421 1014909671 /nfs/dbraw/zinc/90/96/71/1014909671.db2.gz BYANVHISJSRPKL-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270352 1014912271 /nfs/dbraw/zinc/91/22/71/1014912271.db2.gz LSOUNTPVSYIDGA-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001490270352 1014912278 /nfs/dbraw/zinc/91/22/78/1014912278.db2.gz LSOUNTPVSYIDGA-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490270352 1014912287 /nfs/dbraw/zinc/91/22/87/1014912287.db2.gz LSOUNTPVSYIDGA-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001490401560 1014956099 /nfs/dbraw/zinc/95/60/99/1014956099.db2.gz BGWRZDHSRNBKIZ-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001490401560 1014956111 /nfs/dbraw/zinc/95/61/11/1014956111.db2.gz BGWRZDHSRNBKIZ-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490727274 1015096274 /nfs/dbraw/zinc/09/62/74/1015096274.db2.gz AQNSNSBSMQDGST-UKRRQHHQSA-N 2 1 320.437 -0.438 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734462 1015099753 /nfs/dbraw/zinc/09/97/53/1015099753.db2.gz AYPSGESBFDMOEM-KBPBESRZSA-N 2 1 308.426 -0.275 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001490826477 1015124213 /nfs/dbraw/zinc/12/42/13/1015124213.db2.gz SWWWMEUMOAYLRY-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001490842106 1015128259 /nfs/dbraw/zinc/12/82/59/1015128259.db2.gz DDPNSAWSJJHOIR-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491017850 1015194689 /nfs/dbraw/zinc/19/46/89/1015194689.db2.gz BURGTKDNXSKEQM-XPABHHOTSA-N 2 1 320.437 -0.299 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491334530 1015359140 /nfs/dbraw/zinc/35/91/40/1015359140.db2.gz KASJUZOYQYKPRC-ZSAUSMIDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491334530 1015359148 /nfs/dbraw/zinc/35/91/48/1015359148.db2.gz KASJUZOYQYKPRC-ZSAUSMIDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491334530 1015359161 /nfs/dbraw/zinc/35/91/61/1015359161.db2.gz KASJUZOYQYKPRC-ZSAUSMIDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001491486013 1015447867 /nfs/dbraw/zinc/44/78/67/1015447867.db2.gz AAMVZEXUWGCTAU-KGLIPLIRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC001491486013 1015447870 /nfs/dbraw/zinc/44/78/70/1015447870.db2.gz AAMVZEXUWGCTAU-KGLIPLIRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[C@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487262 1015450146 /nfs/dbraw/zinc/45/01/46/1015450146.db2.gz XXUTVFAUDAVTKJ-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491826197 1015641657 /nfs/dbraw/zinc/64/16/57/1015641657.db2.gz RTSHMMMNIRAFQB-KGLIPLIRSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491958207 1015680025 /nfs/dbraw/zinc/68/00/25/1015680025.db2.gz AWCIQJUGGHVEAS-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491958207 1015680036 /nfs/dbraw/zinc/68/00/36/1015680036.db2.gz AWCIQJUGGHVEAS-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357116 1015897530 /nfs/dbraw/zinc/89/75/30/1015897530.db2.gz OKNUOJOUVUZYBW-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357116 1015897534 /nfs/dbraw/zinc/89/75/34/1015897534.db2.gz OKNUOJOUVUZYBW-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357116 1015897535 /nfs/dbraw/zinc/89/75/35/1015897535.db2.gz OKNUOJOUVUZYBW-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493357116 1015897537 /nfs/dbraw/zinc/89/75/37/1015897537.db2.gz OKNUOJOUVUZYBW-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001493435360 1015931119 /nfs/dbraw/zinc/93/11/19/1015931119.db2.gz IQAKEIWLOPEORY-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001493435360 1015931138 /nfs/dbraw/zinc/93/11/38/1015931138.db2.gz IQAKEIWLOPEORY-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001493435360 1015931155 /nfs/dbraw/zinc/93/11/55/1015931155.db2.gz IQAKEIWLOPEORY-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)C1CC1 ZINC001493435360 1015931167 /nfs/dbraw/zinc/93/11/67/1015931167.db2.gz IQAKEIWLOPEORY-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494180308 1016184987 /nfs/dbraw/zinc/18/49/87/1016184987.db2.gz JSNYPALHGODZEZ-CQSZACIVSA-N 2 1 321.425 -0.498 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494773528 1016421575 /nfs/dbraw/zinc/42/15/75/1016421575.db2.gz UTEKQDQDNJHJIF-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494773528 1016421601 /nfs/dbraw/zinc/42/16/01/1016421601.db2.gz UTEKQDQDNJHJIF-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)N1CCC1 ZINC001495002957 1016514277 /nfs/dbraw/zinc/51/42/77/1016514277.db2.gz OGRRCBBENRTQRL-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC(=O)N1CCC1 ZINC001495002957 1016514284 /nfs/dbraw/zinc/51/42/84/1016514284.db2.gz OGRRCBBENRTQRL-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495301364 1016607582 /nfs/dbraw/zinc/60/75/82/1016607582.db2.gz UDVLWCQVFDMESU-DYVFJYSZSA-N 2 1 320.437 -0.438 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001495588358 1016656641 /nfs/dbraw/zinc/65/66/41/1016656641.db2.gz VXJBOKPSJCRAIE-UONOGXRCSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001496369327 1016899137 /nfs/dbraw/zinc/89/91/37/1016899137.db2.gz QFVIOLPGZBPFOX-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001480038260 1010511008 /nfs/dbraw/zinc/51/10/08/1010511008.db2.gz FAVZJEQSXSGBDU-CHWSQXEVSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001480142261 1010553692 /nfs/dbraw/zinc/55/36/92/1010553692.db2.gz MUVIJZOZIJHSRY-SYQHCUMBSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001480142261 1010553707 /nfs/dbraw/zinc/55/37/07/1010553707.db2.gz MUVIJZOZIJHSRY-SYQHCUMBSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480936893 1010809153 /nfs/dbraw/zinc/80/91/53/1010809153.db2.gz VATZNGOTFHRYDA-CYBMUJFWSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480936893 1010809157 /nfs/dbraw/zinc/80/91/57/1010809157.db2.gz VATZNGOTFHRYDA-CYBMUJFWSA-N 2 1 306.410 -0.732 20 30 DBEDMP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001481143526 1010845787 /nfs/dbraw/zinc/84/57/87/1010845787.db2.gz FQROBQYNDILBML-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CCC[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001481143526 1010845790 /nfs/dbraw/zinc/84/57/90/1010845790.db2.gz FQROBQYNDILBML-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001481143526 1010845792 /nfs/dbraw/zinc/84/57/92/1010845792.db2.gz FQROBQYNDILBML-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NCC#N ZINC001481143526 1010845794 /nfs/dbraw/zinc/84/57/94/1010845794.db2.gz FQROBQYNDILBML-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1C[C@@H]2C[C@H]1CN2C(=O)CC[N@H+](C)CC ZINC001481681531 1010962335 /nfs/dbraw/zinc/96/23/35/1010962335.db2.gz HSVLKZBBCYIAJY-KKUMJFAQSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774320 1010996407 /nfs/dbraw/zinc/99/64/07/1010996407.db2.gz JLGAMKOZWPNZTQ-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774320 1010996409 /nfs/dbraw/zinc/99/64/09/1010996409.db2.gz JLGAMKOZWPNZTQ-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482309610 1011114047 /nfs/dbraw/zinc/11/40/47/1011114047.db2.gz DMUZTINQKAHFLC-GFCCVEGCSA-N 2 1 307.398 -0.070 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329601 1011119780 /nfs/dbraw/zinc/11/97/80/1011119780.db2.gz CRDYJKPLIIPJPT-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C ZINC001482536712 1011174353 /nfs/dbraw/zinc/17/43/53/1011174353.db2.gz ZCSFYUSISJUMMP-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C(C)C ZINC001482536712 1011174359 /nfs/dbraw/zinc/17/43/59/1011174359.db2.gz ZCSFYUSISJUMMP-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001482770857 1011421778 /nfs/dbraw/zinc/42/17/78/1011421778.db2.gz XBXAEYWHVIKVAD-CQSZACIVSA-N 2 1 313.442 -0.319 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001482924347 1011541284 /nfs/dbraw/zinc/54/12/84/1011541284.db2.gz FBXPCQCAJIZFRO-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483010714 1011599084 /nfs/dbraw/zinc/59/90/84/1011599084.db2.gz MUZPEXWIMXYGPB-XGACYXMMSA-N 2 1 321.425 -0.239 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483081600 1011673779 /nfs/dbraw/zinc/67/37/79/1011673779.db2.gz APLZXEMLERIERF-ZRUQZJFASA-N 2 1 306.410 -0.660 20 30 DBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001483473960 1011885135 /nfs/dbraw/zinc/88/51/35/1011885135.db2.gz DWKWRMKWKASTRR-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001483938891 1012222418 /nfs/dbraw/zinc/22/24/18/1012222418.db2.gz FHVRGHPCTNYYTK-ZDUSSCGKSA-N 2 1 318.381 -0.588 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484066559 1012289053 /nfs/dbraw/zinc/28/90/53/1012289053.db2.gz AMEKEQYKVVRJOZ-INIZCTEOSA-N 2 1 320.437 -0.035 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001484066559 1012289064 /nfs/dbraw/zinc/28/90/64/1012289064.db2.gz AMEKEQYKVVRJOZ-INIZCTEOSA-N 2 1 320.437 -0.035 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485178976 1013039416 /nfs/dbraw/zinc/03/94/16/1013039416.db2.gz XJWMTAGLKPHBKG-VXGBXAGGSA-N 2 1 306.370 -0.686 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)N(C)C ZINC001497602371 1017441351 /nfs/dbraw/zinc/44/13/51/1017441351.db2.gz XIAKTINHHOXTJJ-WJNHHXLDSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H](C)C(=O)N(C)C ZINC001497602371 1017441358 /nfs/dbraw/zinc/44/13/58/1017441358.db2.gz XIAKTINHHOXTJJ-WJNHHXLDSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001498774911 1017864584 /nfs/dbraw/zinc/86/45/84/1017864584.db2.gz OZWYKOHYBWLBNH-KGLIPLIRSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001498774911 1017864585 /nfs/dbraw/zinc/86/45/85/1017864585.db2.gz OZWYKOHYBWLBNH-KGLIPLIRSA-N 2 1 306.410 -0.686 20 30 DBEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001502559735 1019089330 /nfs/dbraw/zinc/08/93/30/1019089330.db2.gz IGTXENHBZHBBTH-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001502559735 1019089347 /nfs/dbraw/zinc/08/93/47/1019089347.db2.gz IGTXENHBZHBBTH-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001502861313 1019204816 /nfs/dbraw/zinc/20/48/16/1019204816.db2.gz FUEBQZWLHQJMLA-CQSZACIVSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001502861313 1019204838 /nfs/dbraw/zinc/20/48/38/1019204838.db2.gz FUEBQZWLHQJMLA-CQSZACIVSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022953 1019234542 /nfs/dbraw/zinc/23/45/42/1019234542.db2.gz IGZWSRZCPSWFAO-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022953 1019234546 /nfs/dbraw/zinc/23/45/46/1019234546.db2.gz IGZWSRZCPSWFAO-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022953 1019234562 /nfs/dbraw/zinc/23/45/62/1019234562.db2.gz IGZWSRZCPSWFAO-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022953 1019234566 /nfs/dbraw/zinc/23/45/66/1019234566.db2.gz IGZWSRZCPSWFAO-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1c[nH+]cc1C ZINC001503359155 1019243820 /nfs/dbraw/zinc/24/38/20/1019243820.db2.gz GKTZRDBNNMOWFK-LBPRGKRZSA-N 2 1 305.382 -0.575 20 30 DBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001506976946 1020029908 /nfs/dbraw/zinc/02/99/08/1020029908.db2.gz JPQCDSCRCRHVLW-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001506976946 1020029917 /nfs/dbraw/zinc/02/99/17/1020029917.db2.gz JPQCDSCRCRHVLW-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506976946 1020029924 /nfs/dbraw/zinc/02/99/24/1020029924.db2.gz JPQCDSCRCRHVLW-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](CC)CCO1 ZINC001506976946 1020029933 /nfs/dbraw/zinc/02/99/33/1020029933.db2.gz JPQCDSCRCRHVLW-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001507331557 1020293964 /nfs/dbraw/zinc/29/39/64/1020293964.db2.gz LZBYGXRHSYJQAN-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@@H+](C)C(C)C ZINC001522697946 1021844703 /nfs/dbraw/zinc/84/47/03/1021844703.db2.gz LIQNFCRWZOHTFR-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@H+](C)C(C)C ZINC001522697946 1021844707 /nfs/dbraw/zinc/84/47/07/1021844707.db2.gz LIQNFCRWZOHTFR-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)C(C)C ZINC001522697946 1021844708 /nfs/dbraw/zinc/84/47/08/1021844708.db2.gz LIQNFCRWZOHTFR-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)C(C)C ZINC001522697946 1021844713 /nfs/dbraw/zinc/84/47/13/1021844713.db2.gz LIQNFCRWZOHTFR-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001566456090 1024178917 /nfs/dbraw/zinc/17/89/17/1024178917.db2.gz AGISEWPOYUQOIC-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001566456090 1024178939 /nfs/dbraw/zinc/17/89/39/1024178939.db2.gz AGISEWPOYUQOIC-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001566456090 1024178973 /nfs/dbraw/zinc/17/89/73/1024178973.db2.gz AGISEWPOYUQOIC-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566791956 1024374683 /nfs/dbraw/zinc/37/46/83/1024374683.db2.gz SVPBBWIHWHUABN-AAVRWANBSA-N 2 1 308.426 -0.134 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001567017179 1024466747 /nfs/dbraw/zinc/46/67/47/1024466747.db2.gz VMWLTPSBHAXOAN-QWHCGFSZSA-N 2 1 309.414 -0.407 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nncn2C)CC1 ZINC001567082868 1024508484 /nfs/dbraw/zinc/50/84/84/1024508484.db2.gz YESBNYGNOMJJAF-ZDUSSCGKSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001567100369 1024516908 /nfs/dbraw/zinc/51/69/08/1024516908.db2.gz YSEZXNZJZLAISC-KGLIPLIRSA-N 2 1 317.393 -0.480 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567177971 1024557967 /nfs/dbraw/zinc/55/79/67/1024557967.db2.gz YMYZYNSWOLKBMK-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001567324717 1024628620 /nfs/dbraw/zinc/62/86/20/1024628620.db2.gz ZKHONNUZBYQLKU-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001567324717 1024628635 /nfs/dbraw/zinc/62/86/35/1024628635.db2.gz ZKHONNUZBYQLKU-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001567347437 1024641131 /nfs/dbraw/zinc/64/11/31/1024641131.db2.gz CQELEEZQYPAZQL-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001567347437 1024641143 /nfs/dbraw/zinc/64/11/43/1024641143.db2.gz CQELEEZQYPAZQL-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567347437 1024641157 /nfs/dbraw/zinc/64/11/57/1024641157.db2.gz CQELEEZQYPAZQL-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567347437 1024641166 /nfs/dbraw/zinc/64/11/66/1024641166.db2.gz CQELEEZQYPAZQL-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395644 1024663671 /nfs/dbraw/zinc/66/36/71/1024663671.db2.gz OEIZTWVDRZECEX-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395644 1024663691 /nfs/dbraw/zinc/66/36/91/1024663691.db2.gz OEIZTWVDRZECEX-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567395644 1024663704 /nfs/dbraw/zinc/66/37/04/1024663704.db2.gz OEIZTWVDRZECEX-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567395644 1024663714 /nfs/dbraw/zinc/66/37/14/1024663714.db2.gz OEIZTWVDRZECEX-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001567419826 1024687030 /nfs/dbraw/zinc/68/70/30/1024687030.db2.gz VIDUBBZUCPJMKG-AWEZNQCLSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419826 1024687051 /nfs/dbraw/zinc/68/70/51/1024687051.db2.gz VIDUBBZUCPJMKG-AWEZNQCLSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419826 1024687065 /nfs/dbraw/zinc/68/70/65/1024687065.db2.gz VIDUBBZUCPJMKG-AWEZNQCLSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001567418761 1024687626 /nfs/dbraw/zinc/68/76/26/1024687626.db2.gz AIFSQDCZTAGITE-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001568208313 1024875733 /nfs/dbraw/zinc/87/57/33/1024875733.db2.gz FBTLAOLZNUDPHS-LBPRGKRZSA-N 2 1 305.382 -0.717 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001568330992 1024893164 /nfs/dbraw/zinc/89/31/64/1024893164.db2.gz JCOLLOIMKJWRNB-KBPBESRZSA-N 2 1 308.426 -0.310 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(N)=O)CC(C)C ZINC001568330992 1024893168 /nfs/dbraw/zinc/89/31/68/1024893168.db2.gz JCOLLOIMKJWRNB-KBPBESRZSA-N 2 1 308.426 -0.310 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001568371123 1024896688 /nfs/dbraw/zinc/89/66/88/1024896688.db2.gz YWZIFOKSNMXKIS-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C ZINC001568642030 1024975971 /nfs/dbraw/zinc/97/59/71/1024975971.db2.gz FISCZLAXYCZIKT-HIFRSBDPSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cnnn1C ZINC001568642030 1024975973 /nfs/dbraw/zinc/97/59/73/1024975973.db2.gz FISCZLAXYCZIKT-HIFRSBDPSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001568998079 1025111506 /nfs/dbraw/zinc/11/15/06/1025111506.db2.gz UAPJIYRCMCAFEJ-KGLIPLIRSA-N 2 1 304.398 -0.530 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCn1cncn1 ZINC001568998079 1025111516 /nfs/dbraw/zinc/11/15/16/1025111516.db2.gz UAPJIYRCMCAFEJ-KGLIPLIRSA-N 2 1 304.398 -0.530 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001569076681 1025133679 /nfs/dbraw/zinc/13/36/79/1025133679.db2.gz XJRFSFWCUJPQRO-IHRRRGAJSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001569152428 1025157737 /nfs/dbraw/zinc/15/77/37/1025157737.db2.gz BEWUGSIJRRLBTM-OLZOCXBDSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001569152428 1025157748 /nfs/dbraw/zinc/15/77/48/1025157748.db2.gz BEWUGSIJRRLBTM-OLZOCXBDSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001569266548 1025188461 /nfs/dbraw/zinc/18/84/61/1025188461.db2.gz BEHUDLYVGIBCAS-CYBMUJFWSA-N 2 1 319.409 -0.232 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001569534194 1025271191 /nfs/dbraw/zinc/27/11/91/1025271191.db2.gz FDODZKMLTLWZGK-UONOGXRCSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[C@H](C(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1)[NH+](C)C ZINC001569577137 1025278551 /nfs/dbraw/zinc/27/85/51/1025278551.db2.gz GLZDYWKXYNFDMN-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569652983 1025296591 /nfs/dbraw/zinc/29/65/91/1025296591.db2.gz CKXAPVUWLDRXNW-XJKSGUPXSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001569652983 1025296605 /nfs/dbraw/zinc/29/66/05/1025296605.db2.gz CKXAPVUWLDRXNW-XJKSGUPXSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652983 1025296615 /nfs/dbraw/zinc/29/66/15/1025296615.db2.gz CKXAPVUWLDRXNW-XJKSGUPXSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652983 1025296630 /nfs/dbraw/zinc/29/66/30/1025296630.db2.gz CKXAPVUWLDRXNW-XJKSGUPXSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001569652980 1025297988 /nfs/dbraw/zinc/29/79/88/1025297988.db2.gz CKXAPVUWLDRXNW-BBRMVZONSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001569652980 1025297995 /nfs/dbraw/zinc/29/79/95/1025297995.db2.gz CKXAPVUWLDRXNW-BBRMVZONSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652980 1025298006 /nfs/dbraw/zinc/29/80/06/1025298006.db2.gz CKXAPVUWLDRXNW-BBRMVZONSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001569652980 1025298013 /nfs/dbraw/zinc/29/80/13/1025298013.db2.gz CKXAPVUWLDRXNW-BBRMVZONSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001569750903 1025326496 /nfs/dbraw/zinc/32/64/96/1025326496.db2.gz GDKXBYWDRXFGJH-QGZVFWFLSA-N 2 1 323.437 -0.469 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449962 1025624710 /nfs/dbraw/zinc/62/47/10/1025624710.db2.gz XULYJPLHEVNFAP-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449962 1025624739 /nfs/dbraw/zinc/62/47/39/1025624739.db2.gz XULYJPLHEVNFAP-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449962 1025624755 /nfs/dbraw/zinc/62/47/55/1025624755.db2.gz XULYJPLHEVNFAP-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449962 1025624788 /nfs/dbraw/zinc/62/47/88/1025624788.db2.gz XULYJPLHEVNFAP-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449961 1025625666 /nfs/dbraw/zinc/62/56/66/1025625666.db2.gz XULYJPLHEVNFAP-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449961 1025625678 /nfs/dbraw/zinc/62/56/78/1025625678.db2.gz XULYJPLHEVNFAP-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449961 1025625687 /nfs/dbraw/zinc/62/56/87/1025625687.db2.gz XULYJPLHEVNFAP-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449961 1025625701 /nfs/dbraw/zinc/62/57/01/1025625701.db2.gz XULYJPLHEVNFAP-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC001570567291 1025666656 /nfs/dbraw/zinc/66/66/56/1025666656.db2.gz QPVIZLXDEZAPFG-UHFFFAOYSA-N 2 1 317.393 -0.575 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001570671025 1025702311 /nfs/dbraw/zinc/70/23/11/1025702311.db2.gz GNDCXELAHCAXAJ-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)N(C)C)CC1 ZINC001570753870 1025733019 /nfs/dbraw/zinc/73/30/19/1025733019.db2.gz RTOXYAMIFFTUOW-CQSZACIVSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)N(C)C)CC1 ZINC001570753870 1025733040 /nfs/dbraw/zinc/73/30/40/1025733040.db2.gz RTOXYAMIFFTUOW-CQSZACIVSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570909372 1025798931 /nfs/dbraw/zinc/79/89/31/1025798931.db2.gz INGNOLBFVMCZRZ-KGLIPLIRSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570909372 1025798962 /nfs/dbraw/zinc/79/89/62/1025798962.db2.gz INGNOLBFVMCZRZ-KGLIPLIRSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909372 1025798983 /nfs/dbraw/zinc/79/89/83/1025798983.db2.gz INGNOLBFVMCZRZ-KGLIPLIRSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909372 1025799012 /nfs/dbraw/zinc/79/90/12/1025799012.db2.gz INGNOLBFVMCZRZ-KGLIPLIRSA-N 2 1 320.437 -0.486 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001570964147 1025803932 /nfs/dbraw/zinc/80/39/32/1025803932.db2.gz DLMIWXAFXUDMAV-QKDCVEJESA-N 2 1 322.453 -0.077 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001570964147 1025803933 /nfs/dbraw/zinc/80/39/33/1025803933.db2.gz DLMIWXAFXUDMAV-QKDCVEJESA-N 2 1 322.453 -0.077 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001570964147 1025803935 /nfs/dbraw/zinc/80/39/35/1025803935.db2.gz DLMIWXAFXUDMAV-QKDCVEJESA-N 2 1 322.453 -0.077 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001570957601 1025804066 /nfs/dbraw/zinc/80/40/66/1025804066.db2.gz HIEAJUWLHQSBLN-QKDCVEJESA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001570957601 1025804069 /nfs/dbraw/zinc/80/40/69/1025804069.db2.gz HIEAJUWLHQSBLN-QKDCVEJESA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001570957601 1025804070 /nfs/dbraw/zinc/80/40/70/1025804070.db2.gz HIEAJUWLHQSBLN-QKDCVEJESA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001571197780 1025882465 /nfs/dbraw/zinc/88/24/65/1025882465.db2.gz LFTTVSFXFVNKPE-RBSFLKMASA-N 2 1 322.453 -0.051 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC001571333397 1025891616 /nfs/dbraw/zinc/89/16/16/1025891616.db2.gz PDOHMTGOGGEBIK-UHFFFAOYSA-N 2 1 323.441 -0.109 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001571418232 1025948952 /nfs/dbraw/zinc/94/89/52/1025948952.db2.gz SOORWHSKCBPCNU-LBPRGKRZSA-N 2 1 307.398 -0.070 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001571555324 1026066352 /nfs/dbraw/zinc/06/63/52/1026066352.db2.gz ZZJMPENSUFZERP-HUUCEWRRSA-N 2 1 323.437 -0.207 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001571555324 1026066371 /nfs/dbraw/zinc/06/63/71/1026066371.db2.gz ZZJMPENSUFZERP-HUUCEWRRSA-N 2 1 323.437 -0.207 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637921 1026132787 /nfs/dbraw/zinc/13/27/87/1026132787.db2.gz GRIJMDHAQRJGEK-QWHCGFSZSA-N 2 1 323.441 -0.302 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001571654742 1026135383 /nfs/dbraw/zinc/13/53/83/1026135383.db2.gz MFIRTYAUKMTXSO-RUXDESIVSA-N 2 1 308.426 -0.038 20 30 DBEDMP CCN(CC#CC[N@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000284795739 335016829 /nfs/dbraw/zinc/01/68/29/335016829.db2.gz OFMCGWCXOIEPLM-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCN(CC#CC[N@@H+](CC)[C@@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000284795739 335016830 /nfs/dbraw/zinc/01/68/30/335016830.db2.gz OFMCGWCXOIEPLM-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039065 374973050 /nfs/dbraw/zinc/97/30/50/374973050.db2.gz NVUSVDKPMJRGSX-KJGYPYNMSA-N 2 1 306.410 -0.619 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262303899 381625451 /nfs/dbraw/zinc/62/54/51/381625451.db2.gz OWNWLUNZCNINIV-ZIAGYGMSSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)C2CCOCC2)CC1 ZINC000491040963 392637592 /nfs/dbraw/zinc/63/75/92/392637592.db2.gz WSQVTRILURDAQA-UHFFFAOYSA-N 2 1 309.410 -0.763 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](C)CCOCCOCC)CC1 ZINC000490714270 393791236 /nfs/dbraw/zinc/79/12/36/393791236.db2.gz NZWXUZDOZNOYGR-UHFFFAOYSA-N 2 1 311.426 -0.251 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000491641982 393822149 /nfs/dbraw/zinc/82/21/49/393822149.db2.gz UXTPOFWVMBBYCH-HNNXBMFYSA-N 2 1 307.442 -0.369 20 30 DBEDMP CN(CCN1CCOCC1)C(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000329388441 544481657 /nfs/dbraw/zinc/48/16/57/544481657.db2.gz UBHGZVFWQIDDBU-CQSZACIVSA-N 2 1 313.446 -0.590 20 30 DBEDMP CN(CCN1CCOCC1)C(=O)NC[C@@H]1CN(C)CCN1C ZINC000329388441 544481660 /nfs/dbraw/zinc/48/16/60/544481660.db2.gz UBHGZVFWQIDDBU-CQSZACIVSA-N 2 1 313.446 -0.590 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NCC#CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000681339905 544970927 /nfs/dbraw/zinc/97/09/27/544970927.db2.gz UMRUPSFEAXWHSV-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[NH+]=C(NCc1nncn1C)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261728683 275409389 /nfs/dbraw/zinc/40/93/89/275409389.db2.gz LIJXUWDZJXZRRG-ZDUSSCGKSA-N 2 1 321.429 -0.455 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665896 338110859 /nfs/dbraw/zinc/11/08/59/338110859.db2.gz NOCJEMGFUOHFMS-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[C@H]1C[NH+]=C(NCCC[NH+]2CCN(c3ncccn3)CC2)N1 ZINC000285051549 533991204 /nfs/dbraw/zinc/99/12/04/533991204.db2.gz LDQJMAYZDLQSJO-ZDUSSCGKSA-N 2 1 303.414 -0.074 20 30 DBEDMP C=CC[NH+]1CCC(NC(NC[C@H]2CN3CCN2CC3)=[NH+]C)CC1 ZINC000179229264 526415181 /nfs/dbraw/zinc/41/51/81/526415181.db2.gz BHWUZAGCMORVFG-INIZCTEOSA-N 2 1 320.485 -0.198 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272441492 529070624 /nfs/dbraw/zinc/07/06/24/529070624.db2.gz UQQQHWLPZHNNEJ-LLVKDONJSA-N 2 1 307.402 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022221241 664238819 /nfs/dbraw/zinc/23/88/19/664238819.db2.gz AVSBJJCQNKMEAM-ZNMIVQPWSA-N 2 1 316.409 -0.388 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCn2cncn2)C1 ZINC001022221241 664238821 /nfs/dbraw/zinc/23/88/21/664238821.db2.gz AVSBJJCQNKMEAM-ZNMIVQPWSA-N 2 1 316.409 -0.388 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC000910888080 674651967 /nfs/dbraw/zinc/65/19/67/674651967.db2.gz XCEICJWDPUXPKP-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000910888080 674651971 /nfs/dbraw/zinc/65/19/71/674651971.db2.gz XCEICJWDPUXPKP-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991758946 674889913 /nfs/dbraw/zinc/88/99/13/674889913.db2.gz VYINWDBHAVBKMM-HNNXBMFYSA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC000991758946 674889915 /nfs/dbraw/zinc/88/99/15/674889915.db2.gz VYINWDBHAVBKMM-HNNXBMFYSA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CCN1CCC[C@@H](NC(=O)N2CCN(C)CC[N@H+](C)CC2)C1 ZINC000896491074 671396700 /nfs/dbraw/zinc/39/67/00/671396700.db2.gz YTRSCJJLMUNIGG-MRXNPFEDSA-N 2 1 321.469 -0.027 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)N[C@@H]1CCn2cc[nH+]c2C1 ZINC000262491704 671465328 /nfs/dbraw/zinc/46/53/28/671465328.db2.gz XKVLOZWFKWTLIT-CYBMUJFWSA-N 2 1 306.414 -0.305 20 30 DBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186363 678058017 /nfs/dbraw/zinc/05/80/17/678058017.db2.gz OYLDQZDWPFMGHD-LSDHHAIUSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186363 678058019 /nfs/dbraw/zinc/05/80/19/678058019.db2.gz OYLDQZDWPFMGHD-LSDHHAIUSA-N 2 1 320.437 -0.227 20 30 DBEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043361 678792838 /nfs/dbraw/zinc/79/28/38/678792838.db2.gz KEPKOCAILVZARE-UKRRQHHQSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043361 678792845 /nfs/dbraw/zinc/79/28/45/678792845.db2.gz KEPKOCAILVZARE-UKRRQHHQSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043361 678792849 /nfs/dbraw/zinc/79/28/49/678792849.db2.gz KEPKOCAILVZARE-UKRRQHHQSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](C)O)CC1 ZINC001032800467 678887020 /nfs/dbraw/zinc/88/70/20/678887020.db2.gz KCXPNPLLSBPPMW-BPUTZDHNSA-N 2 1 305.422 -0.003 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001016335097 679004079 /nfs/dbraw/zinc/00/40/79/679004079.db2.gz AKYQNOCPJJUMAR-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(=O)N(C)C)C2)CC1 ZINC001016335097 679004082 /nfs/dbraw/zinc/00/40/82/679004082.db2.gz AKYQNOCPJJUMAR-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001298810423 805834717 /nfs/dbraw/zinc/83/47/17/805834717.db2.gz ITEQQXHEDMWMQD-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001298810423 805834727 /nfs/dbraw/zinc/83/47/27/805834727.db2.gz ITEQQXHEDMWMQD-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001298810423 805834737 /nfs/dbraw/zinc/83/47/37/805834737.db2.gz ITEQQXHEDMWMQD-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001298810423 805834745 /nfs/dbraw/zinc/83/47/45/805834745.db2.gz ITEQQXHEDMWMQD-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865046 806015980 /nfs/dbraw/zinc/01/59/80/806015980.db2.gz FKQZVBIIBNCJIP-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865046 806015986 /nfs/dbraw/zinc/01/59/86/806015986.db2.gz FKQZVBIIBNCJIP-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C=CCOCC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316968441 806050030 /nfs/dbraw/zinc/05/00/30/806050030.db2.gz TWNRRBCMTOCSTD-MRXNPFEDSA-N 2 1 324.469 -0.126 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987832 806062314 /nfs/dbraw/zinc/06/23/14/806062314.db2.gz ZQMAOCKAGMLYGI-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987832 806062324 /nfs/dbraw/zinc/06/23/24/806062324.db2.gz ZQMAOCKAGMLYGI-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987835 806062680 /nfs/dbraw/zinc/06/26/80/806062680.db2.gz ZQMAOCKAGMLYGI-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987835 806062687 /nfs/dbraw/zinc/06/26/87/806062687.db2.gz ZQMAOCKAGMLYGI-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001317097773 806087434 /nfs/dbraw/zinc/08/74/34/806087434.db2.gz VIRJTSGAVMHTDT-YXSUXZIUSA-N 2 1 321.425 -0.264 20 30 DBEDMP N#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138034 806096327 /nfs/dbraw/zinc/09/63/27/806096327.db2.gz QWPOQJVLJIZTQI-AWEZNQCLSA-N 2 1 321.425 -0.450 20 30 DBEDMP N#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138034 806096336 /nfs/dbraw/zinc/09/63/36/806096336.db2.gz QWPOQJVLJIZTQI-AWEZNQCLSA-N 2 1 321.425 -0.450 20 30 DBEDMP C[C@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001317411244 806146029 /nfs/dbraw/zinc/14/60/29/806146029.db2.gz DCUJIDLBMKHIKF-CHWSQXEVSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422782 806296505 /nfs/dbraw/zinc/29/65/05/806296505.db2.gz BIWUSHMVTNPSKO-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422782 806296508 /nfs/dbraw/zinc/29/65/08/806296508.db2.gz BIWUSHMVTNPSKO-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001318512637 806308640 /nfs/dbraw/zinc/30/86/40/806308640.db2.gz TVVDZFYAKKOKNG-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001318512637 806308648 /nfs/dbraw/zinc/30/86/48/806308648.db2.gz TVVDZFYAKKOKNG-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000862647388 806327120 /nfs/dbraw/zinc/32/71/20/806327120.db2.gz JUEOBUARRQRLFG-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000862647388 806327130 /nfs/dbraw/zinc/32/71/30/806327130.db2.gz JUEOBUARRQRLFG-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000862647388 806327141 /nfs/dbraw/zinc/32/71/41/806327141.db2.gz JUEOBUARRQRLFG-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O ZINC000862647388 806327148 /nfs/dbraw/zinc/32/71/48/806327148.db2.gz JUEOBUARRQRLFG-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001319942469 806421370 /nfs/dbraw/zinc/42/13/70/806421370.db2.gz BBYYCYSBKHTMMW-LSDHHAIUSA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001320610002 806509595 /nfs/dbraw/zinc/50/95/95/806509595.db2.gz ZBKKHJMZEFAJJC-UONOGXRCSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001321543146 806638344 /nfs/dbraw/zinc/63/83/44/806638344.db2.gz HVYVHYVVIDWDNT-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(CC)C1=O ZINC001321543146 806638348 /nfs/dbraw/zinc/63/83/48/806638348.db2.gz HVYVHYVVIDWDNT-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001321842414 806677821 /nfs/dbraw/zinc/67/78/21/806677821.db2.gz QACCUIXZGCLCCF-KBPBESRZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001323445010 806875788 /nfs/dbraw/zinc/87/57/88/806875788.db2.gz VNKZWTOJVBPGBU-VXGBXAGGSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)CC1 ZINC001323445232 806875516 /nfs/dbraw/zinc/87/55/16/806875516.db2.gz VRGQPUUHFKNHIS-UONOGXRCSA-N 2 1 320.437 -0.296 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001324097174 806943864 /nfs/dbraw/zinc/94/38/64/806943864.db2.gz HZQWOWZBRPTIRD-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001324395905 806971384 /nfs/dbraw/zinc/97/13/84/806971384.db2.gz HRVFJKQROVLKGN-CQSZACIVSA-N 2 1 308.426 -0.262 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278418206 803790263 /nfs/dbraw/zinc/79/02/63/803790263.db2.gz ZFYIKAGBGJZCPO-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001278733302 803810573 /nfs/dbraw/zinc/81/05/73/803810573.db2.gz DWFCSZGSIWDZAU-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001278733302 803810580 /nfs/dbraw/zinc/81/05/80/803810580.db2.gz DWFCSZGSIWDZAU-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP [NH2+]=C(NCCCO[C@H]1CCOC1)NCCC[NH+]1CCOCC1 ZINC000134042498 803816276 /nfs/dbraw/zinc/81/62/76/803816276.db2.gz UCIMGSCQBUVXPN-AWEZNQCLSA-N 2 1 314.430 -0.191 20 30 DBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278780993 803824014 /nfs/dbraw/zinc/82/40/14/803824014.db2.gz AWLRTDRFNAMIFP-DOTOQJQBSA-N 2 1 305.422 -0.096 20 30 DBEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261945713 803832178 /nfs/dbraw/zinc/83/21/78/803832178.db2.gz LBKKXZUYHDOQNM-GDBMZVCRSA-N 3 1 320.485 -0.222 20 30 DBEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000261945713 803832188 /nfs/dbraw/zinc/83/21/88/803832188.db2.gz LBKKXZUYHDOQNM-GDBMZVCRSA-N 3 1 320.485 -0.222 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828952 803840437 /nfs/dbraw/zinc/84/04/37/803840437.db2.gz ROIDCLAGMNJPBJ-MRXNPFEDSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828952 803840445 /nfs/dbraw/zinc/84/04/45/803840445.db2.gz ROIDCLAGMNJPBJ-MRXNPFEDSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828952 803840454 /nfs/dbraw/zinc/84/04/54/803840454.db2.gz ROIDCLAGMNJPBJ-MRXNPFEDSA-N 2 1 311.426 -0.471 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001278882280 803856943 /nfs/dbraw/zinc/85/69/43/803856943.db2.gz DDSGDVBRLNGTEA-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001278882280 803856951 /nfs/dbraw/zinc/85/69/51/803856951.db2.gz DDSGDVBRLNGTEA-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001278882280 803856958 /nfs/dbraw/zinc/85/69/58/803856958.db2.gz DDSGDVBRLNGTEA-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001278882280 803856967 /nfs/dbraw/zinc/85/69/67/803856967.db2.gz DDSGDVBRLNGTEA-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001279529129 803898075 /nfs/dbraw/zinc/89/80/75/803898075.db2.gz JXPCDTGXVQFHQY-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001279529129 803898078 /nfs/dbraw/zinc/89/80/78/803898078.db2.gz JXPCDTGXVQFHQY-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001279529129 803898084 /nfs/dbraw/zinc/89/80/84/803898084.db2.gz JXPCDTGXVQFHQY-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001279529129 803898092 /nfs/dbraw/zinc/89/80/92/803898092.db2.gz JXPCDTGXVQFHQY-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279577013 803899442 /nfs/dbraw/zinc/89/94/42/803899442.db2.gz RAJUPYWXOWLAEH-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279577013 803899450 /nfs/dbraw/zinc/89/94/50/803899450.db2.gz RAJUPYWXOWLAEH-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1 ZINC001280497135 803965649 /nfs/dbraw/zinc/96/56/49/803965649.db2.gz KANVOMZXKRHLHY-GFCCVEGCSA-N 2 1 307.398 -0.651 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706470 804006904 /nfs/dbraw/zinc/00/69/04/804006904.db2.gz CYFNBTFTTJPLAO-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001280706470 804006916 /nfs/dbraw/zinc/00/69/16/804006916.db2.gz CYFNBTFTTJPLAO-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001280706470 804006926 /nfs/dbraw/zinc/00/69/26/804006926.db2.gz CYFNBTFTTJPLAO-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001280706470 804006934 /nfs/dbraw/zinc/00/69/34/804006934.db2.gz CYFNBTFTTJPLAO-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280755060 804013798 /nfs/dbraw/zinc/01/37/98/804013798.db2.gz BBLDUSOYOFRBOE-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001281193446 804119063 /nfs/dbraw/zinc/11/90/63/804119063.db2.gz SPEWRTCLQIFLHH-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001281193446 804119068 /nfs/dbraw/zinc/11/90/68/804119068.db2.gz SPEWRTCLQIFLHH-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964165 804239151 /nfs/dbraw/zinc/23/91/51/804239151.db2.gz CCJZQPPVDGFQBU-UONOGXRCSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964165 804239155 /nfs/dbraw/zinc/23/91/55/804239155.db2.gz CCJZQPPVDGFQBU-UONOGXRCSA-N 2 1 323.441 -0.111 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001282231048 804264603 /nfs/dbraw/zinc/26/46/03/804264603.db2.gz TWNZNECXJRCLBM-RYUDHWBXSA-N 2 1 307.398 -0.023 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001283101936 804414550 /nfs/dbraw/zinc/41/45/50/804414550.db2.gz DJBSKXGYITZAEM-APIJFGDWSA-N 2 1 320.437 -0.440 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283101937 804415097 /nfs/dbraw/zinc/41/50/97/804415097.db2.gz DJBSKXGYITZAEM-KBUPBQIOSA-N 2 1 320.437 -0.440 20 30 DBEDMP COCC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001283359351 804492122 /nfs/dbraw/zinc/49/21/22/804492122.db2.gz KXEGQQKMDRWXLT-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001283359351 804492124 /nfs/dbraw/zinc/49/21/24/804492124.db2.gz KXEGQQKMDRWXLT-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001283359351 804492127 /nfs/dbraw/zinc/49/21/27/804492127.db2.gz KXEGQQKMDRWXLT-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C[C@H](O)COC ZINC001283617383 804539887 /nfs/dbraw/zinc/53/98/87/804539887.db2.gz HZAPLUCPOHJDEL-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C[C@H](O)COC ZINC001283617383 804539888 /nfs/dbraw/zinc/53/98/88/804539888.db2.gz HZAPLUCPOHJDEL-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001283618500 804540725 /nfs/dbraw/zinc/54/07/25/804540725.db2.gz URCSLWQVUYOVNI-CABCVRRESA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001283618500 804540731 /nfs/dbraw/zinc/54/07/31/804540731.db2.gz URCSLWQVUYOVNI-CABCVRRESA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC=C ZINC001283618501 804540760 /nfs/dbraw/zinc/54/07/60/804540760.db2.gz URCSLWQVUYOVNI-GJZGRUSLSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC=C ZINC001283618501 804540767 /nfs/dbraw/zinc/54/07/67/804540767.db2.gz URCSLWQVUYOVNI-GJZGRUSLSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001283804829 804577619 /nfs/dbraw/zinc/57/76/19/804577619.db2.gz OIEHCXXCKCUYBA-ZIAGYGMSSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284578511 804741651 /nfs/dbraw/zinc/74/16/51/804741651.db2.gz RIDKILBLAKUWAZ-ZIAGYGMSSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284578502 804741915 /nfs/dbraw/zinc/74/19/15/804741915.db2.gz RIDKILBLAKUWAZ-KBPBESRZSA-N 2 1 322.453 -0.050 20 30 DBEDMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884213953 807040972 /nfs/dbraw/zinc/04/09/72/807040972.db2.gz QDMVVCQXAIMYHE-MYMJJRTCSA-N 2 1 306.410 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001287708851 805104649 /nfs/dbraw/zinc/10/46/49/805104649.db2.gz SZNISCZRMGJVSZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001287708851 805104653 /nfs/dbraw/zinc/10/46/53/805104653.db2.gz SZNISCZRMGJVSZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324707135 807001004 /nfs/dbraw/zinc/00/10/04/807001004.db2.gz ONVZKRWVYKIAKI-DOTOQJQBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324707135 807001010 /nfs/dbraw/zinc/00/10/10/807001010.db2.gz ONVZKRWVYKIAKI-DOTOQJQBSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001327554811 807302121 /nfs/dbraw/zinc/30/21/21/807302121.db2.gz LJHBHBFRFIVBHP-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001327554811 807302131 /nfs/dbraw/zinc/30/21/31/807302131.db2.gz LJHBHBFRFIVBHP-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001327606205 807311065 /nfs/dbraw/zinc/31/10/65/807311065.db2.gz BMYSRJFDYUGHQX-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001327606205 807311074 /nfs/dbraw/zinc/31/10/74/807311074.db2.gz BMYSRJFDYUGHQX-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001327971199 807363512 /nfs/dbraw/zinc/36/35/12/807363512.db2.gz ZMLGMIBIIWWPGE-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903492628 807391387 /nfs/dbraw/zinc/39/13/87/807391387.db2.gz IAOOICDTFITCQO-ZWUHOBOKSA-N 2 1 307.394 -0.014 20 30 DBEDMP CNC(=O)C[NH+]1CCC(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC001328454724 807428482 /nfs/dbraw/zinc/42/84/82/807428482.db2.gz JMCXOWUNIWWLCQ-UHFFFAOYSA-N 2 1 306.410 -0.684 20 30 DBEDMP COCC#CC[NH2+]CC1CC(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001328928005 807489842 /nfs/dbraw/zinc/48/98/42/807489842.db2.gz XDTJQXMPOJMMLO-UHFFFAOYSA-N 2 1 323.437 -0.157 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330070994 807669031 /nfs/dbraw/zinc/66/90/31/807669031.db2.gz MONHHGBAJNVTRP-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330070994 807669033 /nfs/dbraw/zinc/66/90/33/807669033.db2.gz MONHHGBAJNVTRP-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001330429493 807712444 /nfs/dbraw/zinc/71/24/44/807712444.db2.gz OZJLEIHLCRDHDG-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC)C1 ZINC001333082833 808013159 /nfs/dbraw/zinc/01/31/59/808013159.db2.gz QNYJQZNNFRGUFV-NRXISQOPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NCC)C1 ZINC001333082833 808013163 /nfs/dbraw/zinc/01/31/63/808013163.db2.gz QNYJQZNNFRGUFV-NRXISQOPSA-N 2 1 320.437 -0.201 20 30 DBEDMP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001333636615 808083455 /nfs/dbraw/zinc/08/34/55/808083455.db2.gz VCIWOTYUACAXPW-CQSZACIVSA-N 2 1 301.394 -0.104 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)CC1 ZINC000948069300 808255381 /nfs/dbraw/zinc/25/53/81/808255381.db2.gz FNJGKBLDIKGLDP-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)CC1 ZINC000948069300 808255389 /nfs/dbraw/zinc/25/53/89/808255389.db2.gz FNJGKBLDIKGLDP-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077583 809761275 /nfs/dbraw/zinc/76/12/75/809761275.db2.gz WQNYHJMDIAMTMN-HIFRSBDPSA-N 2 1 321.425 -0.347 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468462 809922048 /nfs/dbraw/zinc/92/20/48/809922048.db2.gz YFQMYKIMNHOGCB-HIFRSBDPSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598593 809974477 /nfs/dbraw/zinc/97/44/77/809974477.db2.gz KLGMRZDNSZCIQH-DOMZBBRYSA-N 2 1 302.378 -0.197 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC#CC)C[C@H]2O)CC1 ZINC000958723752 810012162 /nfs/dbraw/zinc/01/21/62/810012162.db2.gz JMKNVLPEXYHAIH-IAGOWNOFSA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958724371 810013248 /nfs/dbraw/zinc/01/32/48/810013248.db2.gz OFGSIDDPURMXOR-CVEARBPZSA-N 2 1 303.406 -0.626 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000968956733 811521325 /nfs/dbraw/zinc/52/13/25/811521325.db2.gz WCZCGZBCNMAWAR-CABCVRRESA-N 2 1 316.409 -0.434 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000968956733 811521332 /nfs/dbraw/zinc/52/13/32/811521332.db2.gz WCZCGZBCNMAWAR-CABCVRRESA-N 2 1 316.409 -0.434 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001016336617 813653066 /nfs/dbraw/zinc/65/30/66/813653066.db2.gz MQUMGTKHSKRQBL-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001016336617 813653069 /nfs/dbraw/zinc/65/30/69/813653069.db2.gz MQUMGTKHSKRQBL-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018986213 814039157 /nfs/dbraw/zinc/03/91/57/814039157.db2.gz WCZCGZBCNMAWAR-GJZGRUSLSA-N 2 1 316.409 -0.434 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC001018986213 814039167 /nfs/dbraw/zinc/03/91/67/814039167.db2.gz WCZCGZBCNMAWAR-GJZGRUSLSA-N 2 1 316.409 -0.434 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020250868 814335128 /nfs/dbraw/zinc/33/51/28/814335128.db2.gz VFWLMTOUZKIJJH-XUXIUFHCSA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001020250868 814335139 /nfs/dbraw/zinc/33/51/39/814335139.db2.gz VFWLMTOUZKIJJH-XUXIUFHCSA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020250781 814335170 /nfs/dbraw/zinc/33/51/70/814335170.db2.gz QKKCIBRHSYLWRI-AJNGGQMLSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001020250781 814335179 /nfs/dbraw/zinc/33/51/79/814335179.db2.gz QKKCIBRHSYLWRI-AJNGGQMLSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047381590 817099480 /nfs/dbraw/zinc/09/94/80/817099480.db2.gz ODKMJXQBXODVHR-JYJNAYRXSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001047428319 817127983 /nfs/dbraw/zinc/12/79/83/817127983.db2.gz FYEAEKWZTRZCJH-CBBWQLFWSA-N 2 1 309.410 -0.768 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001047428319 817127988 /nfs/dbraw/zinc/12/79/88/817127988.db2.gz FYEAEKWZTRZCJH-CBBWQLFWSA-N 2 1 309.410 -0.768 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428319 817127993 /nfs/dbraw/zinc/12/79/93/817127993.db2.gz FYEAEKWZTRZCJH-CBBWQLFWSA-N 2 1 309.410 -0.768 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001047428319 817127996 /nfs/dbraw/zinc/12/79/96/817127996.db2.gz FYEAEKWZTRZCJH-CBBWQLFWSA-N 2 1 309.410 -0.768 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158571 820410280 /nfs/dbraw/zinc/41/02/80/820410280.db2.gz PXRCSMCLYPSZJU-MCIONIFRSA-N 2 1 302.382 -0.653 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014364 821968661 /nfs/dbraw/zinc/96/86/61/821968661.db2.gz SHLIVHFHOFDCET-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014364 821968666 /nfs/dbraw/zinc/96/86/66/821968666.db2.gz SHLIVHFHOFDCET-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418140 822106420 /nfs/dbraw/zinc/10/64/20/822106420.db2.gz KNJKCFTWCYCTNK-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418140 822106423 /nfs/dbraw/zinc/10/64/23/822106423.db2.gz KNJKCFTWCYCTNK-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418140 822106428 /nfs/dbraw/zinc/10/64/28/822106428.db2.gz KNJKCFTWCYCTNK-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418140 822106432 /nfs/dbraw/zinc/10/64/32/822106432.db2.gz KNJKCFTWCYCTNK-VXSWHIBVSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817077 822231578 /nfs/dbraw/zinc/23/15/78/822231578.db2.gz MIJYGJWVMWLFBM-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817077 822231585 /nfs/dbraw/zinc/23/15/85/822231585.db2.gz MIJYGJWVMWLFBM-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@H]2O)CC1 ZINC001078227245 823747150 /nfs/dbraw/zinc/74/71/50/823747150.db2.gz PWPKHZUHBGKOMS-FVQBIDKESA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164426 824008584 /nfs/dbraw/zinc/00/85/84/824008584.db2.gz ASCGZGUGFIRWSU-QVCPJDEESA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080164426 824008593 /nfs/dbraw/zinc/00/85/93/824008593.db2.gz ASCGZGUGFIRWSU-QVCPJDEESA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080164426 824008602 /nfs/dbraw/zinc/00/86/02/824008602.db2.gz ASCGZGUGFIRWSU-QVCPJDEESA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C[C@H]1C ZINC001082558588 824449938 /nfs/dbraw/zinc/44/99/38/824449938.db2.gz YMYPWOHEKAWINQ-RBSFLKMASA-N 2 1 303.410 -0.117 20 30 DBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405600 828688805 /nfs/dbraw/zinc/68/88/05/828688805.db2.gz WDUDHYBCPXQRDW-XUWVNRHRSA-N 2 1 315.421 -0.117 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001114405600 828688806 /nfs/dbraw/zinc/68/88/06/828688806.db2.gz WDUDHYBCPXQRDW-XUWVNRHRSA-N 2 1 315.421 -0.117 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409054 828688841 /nfs/dbraw/zinc/68/88/41/828688841.db2.gz FTVSFOLTHYJQBQ-BFJAYTPKSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114409054 828688844 /nfs/dbraw/zinc/68/88/44/828688844.db2.gz FTVSFOLTHYJQBQ-BFJAYTPKSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114412412 828689949 /nfs/dbraw/zinc/68/99/49/828689949.db2.gz XRCUXZPJWVODCZ-HALDLXJZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114412412 828689952 /nfs/dbraw/zinc/68/99/52/828689952.db2.gz XRCUXZPJWVODCZ-HALDLXJZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412412 828689956 /nfs/dbraw/zinc/68/99/56/828689956.db2.gz XRCUXZPJWVODCZ-HALDLXJZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412412 828689958 /nfs/dbraw/zinc/68/99/58/828689958.db2.gz XRCUXZPJWVODCZ-HALDLXJZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C1CCC1 ZINC001114412000 828690076 /nfs/dbraw/zinc/69/00/76/828690076.db2.gz OPFJRLZRNSBWLA-HALDLXJZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C1CCC1 ZINC001114412000 828690081 /nfs/dbraw/zinc/69/00/81/828690081.db2.gz OPFJRLZRNSBWLA-HALDLXJZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412000 828690084 /nfs/dbraw/zinc/69/00/84/828690084.db2.gz OPFJRLZRNSBWLA-HALDLXJZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001114412000 828690088 /nfs/dbraw/zinc/69/00/88/828690088.db2.gz OPFJRLZRNSBWLA-HALDLXJZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740882 828735277 /nfs/dbraw/zinc/73/52/77/828735277.db2.gz DAGDPOWRWVWAPQ-NHAGDIPZSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114740882 828735282 /nfs/dbraw/zinc/73/52/82/828735282.db2.gz DAGDPOWRWVWAPQ-NHAGDIPZSA-N 2 1 318.421 -0.876 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114832143 828748741 /nfs/dbraw/zinc/74/87/41/828748741.db2.gz MDALRNLYFWXFOY-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114832143 828748744 /nfs/dbraw/zinc/74/87/44/828748744.db2.gz MDALRNLYFWXFOY-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832143 828748749 /nfs/dbraw/zinc/74/87/49/828748749.db2.gz MDALRNLYFWXFOY-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114832143 828748754 /nfs/dbraw/zinc/74/87/54/828748754.db2.gz MDALRNLYFWXFOY-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114846111 828751267 /nfs/dbraw/zinc/75/12/67/828751267.db2.gz GYGGKULPTMPGOW-SFDCQRBFSA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114846111 828751269 /nfs/dbraw/zinc/75/12/69/828751269.db2.gz GYGGKULPTMPGOW-SFDCQRBFSA-N 2 1 308.426 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086390432 825247480 /nfs/dbraw/zinc/24/74/80/825247480.db2.gz UFJKYKOEUUWWHV-AJNGGQMLSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001086390432 825247488 /nfs/dbraw/zinc/24/74/88/825247488.db2.gz UFJKYKOEUUWWHV-AJNGGQMLSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086432427 825257032 /nfs/dbraw/zinc/25/70/32/825257032.db2.gz VHLNUKQIBSTLBN-RJZXRHAOSA-N 2 1 303.406 -0.033 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115073948 828782850 /nfs/dbraw/zinc/78/28/50/828782850.db2.gz FDCTXIDFEYCGJW-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115073948 828782851 /nfs/dbraw/zinc/78/28/51/828782851.db2.gz FDCTXIDFEYCGJW-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115073948 828782853 /nfs/dbraw/zinc/78/28/53/828782853.db2.gz FDCTXIDFEYCGJW-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115073948 828782855 /nfs/dbraw/zinc/78/28/55/828782855.db2.gz FDCTXIDFEYCGJW-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090271463 825617473 /nfs/dbraw/zinc/61/74/73/825617473.db2.gz IODIIQJPHLCALF-UKRRQHHQSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242151 828813001 /nfs/dbraw/zinc/81/30/01/828813001.db2.gz WIZHAASFSWKPNO-VIKVFOODSA-N 2 1 306.410 -0.569 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242151 828813007 /nfs/dbraw/zinc/81/30/07/828813007.db2.gz WIZHAASFSWKPNO-VIKVFOODSA-N 2 1 306.410 -0.569 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242916 828813330 /nfs/dbraw/zinc/81/33/30/828813330.db2.gz GGBOQJIHRGBLHS-NYTXWWLZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090636039 825771773 /nfs/dbraw/zinc/77/17/73/825771773.db2.gz BXKHFLZFYRIZJN-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC#C)C[C@H]2O)CC1 ZINC001090830902 825862499 /nfs/dbraw/zinc/86/24/99/825862499.db2.gz QNRFBLGUUBGKNC-HZPDHXFCSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#C)C[C@H]2O)CC1 ZINC001090830902 825862505 /nfs/dbraw/zinc/86/25/05/825862505.db2.gz QNRFBLGUUBGKNC-HZPDHXFCSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090830019 825863620 /nfs/dbraw/zinc/86/36/20/825863620.db2.gz HZPFPTMFTCNWMZ-CVEARBPZSA-N 2 1 323.437 -0.735 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@H]2O)CC1 ZINC001090832162 825864023 /nfs/dbraw/zinc/86/40/23/825864023.db2.gz YQKPNAQHDUFIGR-JKSUJKDBSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC)C[C@H]1C ZINC001092689323 826056030 /nfs/dbraw/zinc/05/60/30/826056030.db2.gz IPKHTRVUIGWSCF-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC)C[C@H]1C ZINC001092689323 826056037 /nfs/dbraw/zinc/05/60/37/826056037.db2.gz IPKHTRVUIGWSCF-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001092689323 826056047 /nfs/dbraw/zinc/05/60/47/826056047.db2.gz IPKHTRVUIGWSCF-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC)C[C@H]1C ZINC001092689323 826056056 /nfs/dbraw/zinc/05/60/56/826056056.db2.gz IPKHTRVUIGWSCF-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC)nn2)C1 ZINC001093323970 826119794 /nfs/dbraw/zinc/11/97/94/826119794.db2.gz MTRNMTUGTGDENI-HNNXBMFYSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]CC)nn2)C1 ZINC001093323970 826119797 /nfs/dbraw/zinc/11/97/97/826119797.db2.gz MTRNMTUGTGDENI-HNNXBMFYSA-N 2 1 316.409 -0.132 20 30 DBEDMP C[C@@H]1[C@H](C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001274033975 833008548 /nfs/dbraw/zinc/00/85/48/833008548.db2.gz AWMGAQAERUKRBC-CDJBXZAQSA-N 2 1 307.398 -0.772 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815394 826294273 /nfs/dbraw/zinc/29/42/73/826294273.db2.gz RVRAYSRSUGQCDH-KBPBESRZSA-N 2 1 320.437 -0.085 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815394 826294279 /nfs/dbraw/zinc/29/42/79/826294279.db2.gz RVRAYSRSUGQCDH-KBPBESRZSA-N 2 1 320.437 -0.085 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892792 826715969 /nfs/dbraw/zinc/71/59/69/826715969.db2.gz PPOKHJZFJYTBDB-LSDHHAIUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892792 826715974 /nfs/dbraw/zinc/71/59/74/826715974.db2.gz PPOKHJZFJYTBDB-LSDHHAIUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274555710 833098707 /nfs/dbraw/zinc/09/87/07/833098707.db2.gz ZFQYFEXIUNCNTE-WBVHZDCISA-N 2 1 323.437 -0.374 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056523 826805008 /nfs/dbraw/zinc/80/50/08/826805008.db2.gz WACIGWDQRVPGEN-LSDHHAIUSA-N 2 1 311.426 -0.165 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100063705 826810689 /nfs/dbraw/zinc/81/06/89/826810689.db2.gz BOTWKBUUHYEWGO-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100063705 826810694 /nfs/dbraw/zinc/81/06/94/826810694.db2.gz BOTWKBUUHYEWGO-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100063705 826810703 /nfs/dbraw/zinc/81/07/03/826810703.db2.gz BOTWKBUUHYEWGO-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100063705 826810717 /nfs/dbraw/zinc/81/07/17/826810717.db2.gz BOTWKBUUHYEWGO-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074158 826826144 /nfs/dbraw/zinc/82/61/44/826826144.db2.gz JTFAFMKEYCUVSX-CABCVRRESA-N 2 1 323.437 -0.164 20 30 DBEDMP C=CCC[C@@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274620997 833111459 /nfs/dbraw/zinc/11/14/59/833111459.db2.gz NQKMIZMHCVUXRG-CQSZACIVSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109480 826860075 /nfs/dbraw/zinc/86/00/75/826860075.db2.gz GEGLRCYVTOJMSH-CABCVRRESA-N 2 1 311.426 -0.164 20 30 DBEDMP C[C@@H]1[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001100343732 826944464 /nfs/dbraw/zinc/94/44/64/826944464.db2.gz PJIKACVNFZDHPM-BLYZHGLHSA-N 2 1 321.425 -0.549 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1nncn1C ZINC001274792335 833127640 /nfs/dbraw/zinc/12/76/40/833127640.db2.gz YLKQWGWDLAPGOU-OLZOCXBDSA-N 2 1 304.398 -0.493 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100678565 827000323 /nfs/dbraw/zinc/00/03/23/827000323.db2.gz PBSXUVUYBZZVMW-IYXRBSQSSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827377 827030191 /nfs/dbraw/zinc/03/01/91/827030191.db2.gz BIHQCHDFLJGTBO-WLYUNCDWSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100827376 827030420 /nfs/dbraw/zinc/03/04/20/827030420.db2.gz BIHQCHDFLJGTBO-NFOMZHRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)C1 ZINC001101006726 827062140 /nfs/dbraw/zinc/06/21/40/827062140.db2.gz WNVWTILPPIDGAB-GPANFISMSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)C1 ZINC001101006726 827062152 /nfs/dbraw/zinc/06/21/52/827062152.db2.gz WNVWTILPPIDGAB-GPANFISMSA-N 2 1 323.437 -0.159 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037222 827065211 /nfs/dbraw/zinc/06/52/11/827065211.db2.gz DJDPIAONUBWHPA-WLYUNCDWSA-N 2 1 322.453 -0.051 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001275054083 833148001 /nfs/dbraw/zinc/14/80/01/833148001.db2.gz BCNSDGWREQYKEE-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102495628 827214889 /nfs/dbraw/zinc/21/48/89/827214889.db2.gz FGTJXUPUFGPWJN-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102495628 827214893 /nfs/dbraw/zinc/21/48/93/827214893.db2.gz FGTJXUPUFGPWJN-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102495628 827214902 /nfs/dbraw/zinc/21/49/02/827214902.db2.gz FGTJXUPUFGPWJN-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001102578238 827227429 /nfs/dbraw/zinc/22/74/29/827227429.db2.gz RJZUPUPXGGDZQT-HZSPNIEDSA-N 2 1 321.425 -0.738 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001102578238 827227436 /nfs/dbraw/zinc/22/74/36/827227436.db2.gz RJZUPUPXGGDZQT-HZSPNIEDSA-N 2 1 321.425 -0.738 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001102578238 827227441 /nfs/dbraw/zinc/22/74/41/827227441.db2.gz RJZUPUPXGGDZQT-HZSPNIEDSA-N 2 1 321.425 -0.738 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001275305704 833169590 /nfs/dbraw/zinc/16/95/90/833169590.db2.gz XIABGPUTYPJAKY-WLYUNCDWSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275631149 833195966 /nfs/dbraw/zinc/19/59/66/833195966.db2.gz YJILBXCUCZNYQO-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275631149 833195972 /nfs/dbraw/zinc/19/59/72/833195972.db2.gz YJILBXCUCZNYQO-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105945012 827566444 /nfs/dbraw/zinc/56/64/44/827566444.db2.gz HWDJLMHLGIPPMM-MCIONIFRSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105945013 827566826 /nfs/dbraw/zinc/56/68/26/827566826.db2.gz HWDJLMHLGIPPMM-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921553 833222289 /nfs/dbraw/zinc/22/22/89/833222289.db2.gz UWFFBACJECJASN-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921553 833222295 /nfs/dbraw/zinc/22/22/95/833222295.db2.gz UWFFBACJECJASN-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001106839862 827681448 /nfs/dbraw/zinc/68/14/48/827681448.db2.gz QHRPLYFSMKJECL-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N ZINC001276012394 833234591 /nfs/dbraw/zinc/23/45/91/833234591.db2.gz PMMDHWBLNZFALI-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106982294 827690340 /nfs/dbraw/zinc/69/03/40/827690340.db2.gz HVNQEKZMIVSUJQ-MGPQQGTHSA-N 2 1 321.425 -0.738 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001276012782 833235236 /nfs/dbraw/zinc/23/52/36/833235236.db2.gz SWRXTTQTEPDTJQ-ZFWWWQNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001276128456 833247572 /nfs/dbraw/zinc/24/75/72/833247572.db2.gz PALYCECQHCIDEW-UHFFFAOYSA-N 2 1 306.370 -0.731 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626874 833276583 /nfs/dbraw/zinc/27/65/83/833276583.db2.gz LIZCLIXSORBKEW-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC(C)c1[nH+]ccn1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167472463 833299982 /nfs/dbraw/zinc/29/99/82/833299982.db2.gz ZGLVZYQZCLARLX-UHFFFAOYSA-N 2 1 320.397 -0.258 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168023037 833315668 /nfs/dbraw/zinc/31/56/68/833315668.db2.gz SUODBFACIOXZBK-KBPBESRZSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115577856 828851008 /nfs/dbraw/zinc/85/10/08/828851008.db2.gz MAIHHEZMWQNXEV-AWEZNQCLSA-N 2 1 320.437 -0.022 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(N)=O)CCCCC1 ZINC001115577856 828851017 /nfs/dbraw/zinc/85/10/17/828851017.db2.gz MAIHHEZMWQNXEV-AWEZNQCLSA-N 2 1 320.437 -0.022 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001117532324 828989465 /nfs/dbraw/zinc/98/94/65/828989465.db2.gz BUYAQCZQHYVLMU-CVEARBPZSA-N 2 1 305.422 -0.001 20 30 DBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169798432 833344913 /nfs/dbraw/zinc/34/49/13/833344913.db2.gz PBNFMJDFJWKCMO-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001118131016 829038683 /nfs/dbraw/zinc/03/86/83/829038683.db2.gz PXHCRUSZJYCZIQ-OLZOCXBDSA-N 2 1 309.414 -0.289 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176147109 833401214 /nfs/dbraw/zinc/40/12/14/833401214.db2.gz JAXPZRPZCBZEAB-LBPRGKRZSA-N 2 1 305.382 -0.575 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC)C1CC1 ZINC001276603633 833443207 /nfs/dbraw/zinc/44/32/07/833443207.db2.gz PUJJUJQPWWQCLO-CABCVRRESA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC)C1CC1 ZINC001276603633 833443211 /nfs/dbraw/zinc/44/32/11/833443211.db2.gz PUJJUJQPWWQCLO-CABCVRRESA-N 2 1 320.437 -0.296 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001124838814 829794125 /nfs/dbraw/zinc/79/41/25/829794125.db2.gz ZZNZHYVVYOJYQF-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179975854 833565665 /nfs/dbraw/zinc/56/56/65/833565665.db2.gz DZVAMVRCXSNTQY-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180221612 833573362 /nfs/dbraw/zinc/57/33/62/833573362.db2.gz BBHSKHXLWOHLLR-STQMWFEESA-N 2 1 309.414 -0.455 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC001129429205 830180382 /nfs/dbraw/zinc/18/03/82/830180382.db2.gz DPYIZOILHHYDOC-HNNXBMFYSA-N 2 1 320.437 -0.151 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129531968 830186931 /nfs/dbraw/zinc/18/69/31/830186931.db2.gz ODEMAUQIRFRZAO-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001129770790 830207840 /nfs/dbraw/zinc/20/78/40/830207840.db2.gz KKCKQPFVOUQOPT-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001129770790 830207845 /nfs/dbraw/zinc/20/78/45/830207845.db2.gz KKCKQPFVOUQOPT-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001129770130 830207875 /nfs/dbraw/zinc/20/78/75/830207875.db2.gz BRUQFXWOGBXIMG-AWEZNQCLSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)(C)C ZINC001129770130 830207878 /nfs/dbraw/zinc/20/78/78/830207878.db2.gz BRUQFXWOGBXIMG-AWEZNQCLSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001129771433 830209596 /nfs/dbraw/zinc/20/95/96/830209596.db2.gz XKAWKZAQKYXQPG-HNNXBMFYSA-N 2 1 303.410 -0.234 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1cnn(C)c1 ZINC001129771433 830209601 /nfs/dbraw/zinc/20/96/01/830209601.db2.gz XKAWKZAQKYXQPG-HNNXBMFYSA-N 2 1 303.410 -0.234 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001129771432 830209749 /nfs/dbraw/zinc/20/97/49/830209749.db2.gz XJQVDHFNRFUMKM-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)CC1CC1 ZINC001129771432 830209758 /nfs/dbraw/zinc/20/97/58/830209758.db2.gz XJQVDHFNRFUMKM-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001129771388 830209917 /nfs/dbraw/zinc/20/99/17/830209917.db2.gz WUVGHLYHJHFMEO-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(CC)C1=O ZINC001129771388 830209921 /nfs/dbraw/zinc/20/99/21/830209921.db2.gz WUVGHLYHJHFMEO-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130081398 830262152 /nfs/dbraw/zinc/26/21/52/830262152.db2.gz MLPLYYGOZACRIR-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137309 830269881 /nfs/dbraw/zinc/26/98/81/830269881.db2.gz SFJGCVMTRQGXMA-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001130298140 830292732 /nfs/dbraw/zinc/29/27/32/830292732.db2.gz WRQWMGDVBABPFS-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001131380174 830465303 /nfs/dbraw/zinc/46/53/03/830465303.db2.gz FHOFEKGWQXHOBR-CYBMUJFWSA-N 2 1 305.382 -0.316 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132737224 830688180 /nfs/dbraw/zinc/68/81/80/830688180.db2.gz JMOWRPLCLBZZTA-CQSZACIVSA-N 2 1 308.426 -0.436 20 30 DBEDMP CCC[N@H+]1CCC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132738032 830688204 /nfs/dbraw/zinc/68/82/04/830688204.db2.gz UFVJPEJLDASWBW-ZDUSSCGKSA-N 2 1 309.414 -0.546 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000749 830730196 /nfs/dbraw/zinc/73/01/96/830730196.db2.gz JMKJXLFJBAVEEZ-CYBMUJFWSA-N 2 1 319.409 -0.238 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133000750 830730963 /nfs/dbraw/zinc/73/09/63/830730963.db2.gz JMKJXLFJBAVEEZ-ZDUSSCGKSA-N 2 1 319.409 -0.238 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001133845465 830838217 /nfs/dbraw/zinc/83/82/17/830838217.db2.gz GNOKGJFKYBFBKT-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607989 830955211 /nfs/dbraw/zinc/95/52/11/830955211.db2.gz OYJUNFAUAVPDMF-QWHCGFSZSA-N 2 1 323.441 -0.017 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135029640 831001028 /nfs/dbraw/zinc/00/10/28/831001028.db2.gz PUSJHBZIGAXRBQ-NWDGAFQWSA-N 2 1 320.397 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146591083 831285758 /nfs/dbraw/zinc/28/57/58/831285758.db2.gz FUWNJKVNUSGSAW-KGLIPLIRSA-N 2 1 310.442 -0.051 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147885297 831414762 /nfs/dbraw/zinc/41/47/62/831414762.db2.gz LNNNDEWVRRCTRW-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215648 831438229 /nfs/dbraw/zinc/43/82/29/831438229.db2.gz DYZGNUSSHKNQAD-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)C(C)C)C2)C1 ZINC001148840020 831475305 /nfs/dbraw/zinc/47/53/05/831475305.db2.gz YDNKYHFMFFBBAG-UHFFFAOYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)C(C)C)C2)C1 ZINC001148840020 831475310 /nfs/dbraw/zinc/47/53/10/831475310.db2.gz YDNKYHFMFFBBAG-UHFFFAOYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148840020 831475314 /nfs/dbraw/zinc/47/53/14/831475314.db2.gz YDNKYHFMFFBBAG-UHFFFAOYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001148840020 831475320 /nfs/dbraw/zinc/47/53/20/831475320.db2.gz YDNKYHFMFFBBAG-UHFFFAOYSA-N 2 1 320.437 -0.390 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386659 831744912 /nfs/dbraw/zinc/74/49/12/831744912.db2.gz NTOOEKOZBNADBE-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001152386659 831744917 /nfs/dbraw/zinc/74/49/17/831744917.db2.gz NTOOEKOZBNADBE-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001152386659 831744925 /nfs/dbraw/zinc/74/49/25/831744925.db2.gz NTOOEKOZBNADBE-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001152386659 831744928 /nfs/dbraw/zinc/74/49/28/831744928.db2.gz NTOOEKOZBNADBE-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392795 831746605 /nfs/dbraw/zinc/74/66/05/831746605.db2.gz UFZPVMGNSUTOHM-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152392795 831746618 /nfs/dbraw/zinc/74/66/18/831746618.db2.gz UFZPVMGNSUTOHM-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152392795 831746624 /nfs/dbraw/zinc/74/66/24/831746624.db2.gz UFZPVMGNSUTOHM-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152392795 831746633 /nfs/dbraw/zinc/74/66/33/831746633.db2.gz UFZPVMGNSUTOHM-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)C(C)C ZINC001152439139 831750338 /nfs/dbraw/zinc/75/03/38/831750338.db2.gz AGRPADWXXQOUNR-UHFFFAOYSA-N 2 1 313.402 -0.956 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824109 831837857 /nfs/dbraw/zinc/83/78/57/831837857.db2.gz LCJNMXQRCKQDLF-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1([NH+](C)C)CCC1 ZINC001153824109 831837862 /nfs/dbraw/zinc/83/78/62/831837862.db2.gz LCJNMXQRCKQDLF-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824061 831838175 /nfs/dbraw/zinc/83/81/75/831838175.db2.gz JCZUAXQESRZHQZ-IUODEOHRSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824061 831838186 /nfs/dbraw/zinc/83/81/86/831838186.db2.gz JCZUAXQESRZHQZ-IUODEOHRSA-N 2 1 323.441 -0.207 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001155791267 831952607 /nfs/dbraw/zinc/95/26/07/831952607.db2.gz UXNYFABCTFAMOS-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[N@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(=O)NCC#N ZINC001156525672 831989000 /nfs/dbraw/zinc/98/90/00/831989000.db2.gz TXKNXQISCMGPIC-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NC[C@@H](C)[NH+](CC)CC(=O)NCC#N ZINC001156525672 831989005 /nfs/dbraw/zinc/98/90/05/831989005.db2.gz TXKNXQISCMGPIC-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N ZINC001156525672 831989009 /nfs/dbraw/zinc/98/90/09/831989009.db2.gz TXKNXQISCMGPIC-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N ZINC001156525672 831989011 /nfs/dbraw/zinc/98/90/11/831989011.db2.gz TXKNXQISCMGPIC-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927687 832010557 /nfs/dbraw/zinc/01/05/57/832010557.db2.gz QXNDVACFOWCHGZ-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927687 832010560 /nfs/dbraw/zinc/01/05/60/832010560.db2.gz QXNDVACFOWCHGZ-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487036 832117183 /nfs/dbraw/zinc/11/71/83/832117183.db2.gz VISQRRUPBHHTPO-CABCVRRESA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185659094 833805011 /nfs/dbraw/zinc/80/50/11/833805011.db2.gz DDPNSAWSJJHOIR-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC[C@@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC#CCOC ZINC001269482801 832440299 /nfs/dbraw/zinc/44/02/99/832440299.db2.gz ZBISGQASQLNJOO-HNNXBMFYSA-N 2 1 311.426 -0.157 20 30 DBEDMP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](C)C(=O)NC)CC1 ZINC001270339004 832524032 /nfs/dbraw/zinc/52/40/32/832524032.db2.gz YWZXFQOGCCCWKH-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)CN1CC[C@@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001270657659 832562350 /nfs/dbraw/zinc/56/23/50/832562350.db2.gz MQLYVYYAPJPMRQ-MRXNPFEDSA-N 2 1 317.393 -0.478 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001270697392 832567059 /nfs/dbraw/zinc/56/70/59/832567059.db2.gz HHJYZHCWPOVAGW-WMLDXEAASA-N 2 1 320.437 -0.342 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCCC1 ZINC001270729002 832570508 /nfs/dbraw/zinc/57/05/08/832570508.db2.gz ZQVMQSSFMDKFSM-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001270729002 832570515 /nfs/dbraw/zinc/57/05/15/832570515.db2.gz ZQVMQSSFMDKFSM-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271145296 832628936 /nfs/dbraw/zinc/62/89/36/832628936.db2.gz LOXGRPVGVXTQOD-WBVHZDCISA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCOC)C2)CC1 ZINC001271229029 832643053 /nfs/dbraw/zinc/64/30/53/832643053.db2.gz QWPUPJHVZSUFKN-QGZVFWFLSA-N 2 1 323.437 -0.469 20 30 DBEDMP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311248 832655440 /nfs/dbraw/zinc/65/54/40/832655440.db2.gz LAOVMOKZNVMICI-KGLIPLIRSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](O)COC ZINC001272033663 832732626 /nfs/dbraw/zinc/73/26/26/832732626.db2.gz SPODOKPSPNPNRF-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C[C@@H](O)COC ZINC001272033663 832732630 /nfs/dbraw/zinc/73/26/30/832732630.db2.gz SPODOKPSPNPNRF-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](O)COC ZINC001272033663 832732632 /nfs/dbraw/zinc/73/26/32/832732632.db2.gz SPODOKPSPNPNRF-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C[C@@H](O)COC ZINC001272033663 832732634 /nfs/dbraw/zinc/73/26/34/832732634.db2.gz SPODOKPSPNPNRF-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272214548 832759082 /nfs/dbraw/zinc/75/90/82/832759082.db2.gz AKUAJRLMLWZLQF-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272413450 832783782 /nfs/dbraw/zinc/78/37/82/832783782.db2.gz DASHRRJIHFQBLU-HUUCEWRRSA-N 2 1 311.426 -0.424 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272523732 832793042 /nfs/dbraw/zinc/79/30/42/832793042.db2.gz KXQANHMKPYJPBY-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(CC)nn1 ZINC001160209235 832883141 /nfs/dbraw/zinc/88/31/41/832883141.db2.gz FGJBTVFMQAWAIT-HNNXBMFYSA-N 2 1 318.425 -0.009 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(CC)nn1 ZINC001160209235 832883152 /nfs/dbraw/zinc/88/31/52/832883152.db2.gz FGJBTVFMQAWAIT-HNNXBMFYSA-N 2 1 318.425 -0.009 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001160197639 832884075 /nfs/dbraw/zinc/88/40/75/832884075.db2.gz BNCWFWZNWRRKMV-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCCC1 ZINC001160197639 832884088 /nfs/dbraw/zinc/88/40/88/832884088.db2.gz BNCWFWZNWRRKMV-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001160197876 832884109 /nfs/dbraw/zinc/88/41/09/832884109.db2.gz LLTXVSRJWDATJH-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC1CC1 ZINC001160197876 832884117 /nfs/dbraw/zinc/88/41/17/832884117.db2.gz LLTXVSRJWDATJH-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160268176 832889795 /nfs/dbraw/zinc/88/97/95/832889795.db2.gz VHQWKRWTFIPJEO-ZDUSSCGKSA-N 2 1 309.414 -0.404 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160867953 832955169 /nfs/dbraw/zinc/95/51/69/832955169.db2.gz JCNIBEPRDAZFPW-KBPBESRZSA-N 2 1 321.425 -0.261 20 30 DBEDMP N#Cc1c(NCCN2CC[NH2+]CC2=O)ncc2c1CCC[NH2+]C2 ZINC001161018621 832966584 /nfs/dbraw/zinc/96/65/84/832966584.db2.gz AXOMYSMNNCSSDQ-UHFFFAOYSA-N 2 1 314.393 -0.167 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179856823 833561355 /nfs/dbraw/zinc/56/13/55/833561355.db2.gz LJCPQDKSADYJNB-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001179856496 833561597 /nfs/dbraw/zinc/56/15/97/833561597.db2.gz CGTXUHVXOGAGCQ-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)[C@H]1C ZINC001179982601 833565292 /nfs/dbraw/zinc/56/52/92/833565292.db2.gz BASVTWDNAITNJI-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001180259491 833576321 /nfs/dbraw/zinc/57/63/21/833576321.db2.gz IQKGXTNEKJHSSL-CQSZACIVSA-N 2 1 323.441 -0.156 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472604 833678848 /nfs/dbraw/zinc/67/88/48/833678848.db2.gz GBSPCWYQXQOACL-HUUCEWRRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001183040564 833704169 /nfs/dbraw/zinc/70/41/69/833704169.db2.gz SWWWMEUMOAYLRY-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC)C1 ZINC001183354290 833714584 /nfs/dbraw/zinc/71/45/84/833714584.db2.gz ZSMSVTWMDYOZCQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCCC)C1 ZINC001183354290 833714589 /nfs/dbraw/zinc/71/45/89/833714589.db2.gz ZSMSVTWMDYOZCQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576189 833723557 /nfs/dbraw/zinc/72/35/57/833723557.db2.gz FCQRHTGREIZYBE-MGPQQGTHSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576189 833723558 /nfs/dbraw/zinc/72/35/58/833723558.db2.gz FCQRHTGREIZYBE-MGPQQGTHSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001184877111 833773941 /nfs/dbraw/zinc/77/39/41/833773941.db2.gz RMNXLKQBNBEIFM-BFHYXJOUSA-N 2 1 308.426 -0.038 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185650564 833802542 /nfs/dbraw/zinc/80/25/42/833802542.db2.gz JDMUZXGHOCPZHD-UONOGXRCSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276798111 833898508 /nfs/dbraw/zinc/89/85/08/833898508.db2.gz BXQXPOKQNZFFQH-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187106289 833902284 /nfs/dbraw/zinc/90/22/84/833902284.db2.gz DOKUKVZABBONFZ-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001277027511 833921391 /nfs/dbraw/zinc/92/13/91/833921391.db2.gz YNVJKDXOYYZNNR-IHRRRGAJSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158384 833971929 /nfs/dbraw/zinc/97/19/29/833971929.db2.gz MTGIOYMAYKDESQ-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277982104 834019256 /nfs/dbraw/zinc/01/92/56/834019256.db2.gz RIEDWXGJEFYIOF-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188956978 834029451 /nfs/dbraw/zinc/02/94/51/834029451.db2.gz QZRORVOMTZTAHQ-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188956978 834029458 /nfs/dbraw/zinc/02/94/58/834029458.db2.gz QZRORVOMTZTAHQ-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189035383 834039584 /nfs/dbraw/zinc/03/95/84/834039584.db2.gz WWRYYRCSHOQPFQ-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189035383 834039590 /nfs/dbraw/zinc/03/95/90/834039590.db2.gz WWRYYRCSHOQPFQ-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157474 834144607 /nfs/dbraw/zinc/14/46/07/834144607.db2.gz KVVUMJRZVVDKKR-SOUVJXGZSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157474 834144610 /nfs/dbraw/zinc/14/46/10/834144610.db2.gz KVVUMJRZVVDKKR-SOUVJXGZSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157474 834144613 /nfs/dbraw/zinc/14/46/13/834144613.db2.gz KVVUMJRZVVDKKR-SOUVJXGZSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157474 834144617 /nfs/dbraw/zinc/14/46/17/834144617.db2.gz KVVUMJRZVVDKKR-SOUVJXGZSA-N 2 1 320.437 -0.227 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190722999 834183914 /nfs/dbraw/zinc/18/39/14/834183914.db2.gz HCDALKDMZZGZKJ-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190722999 834183919 /nfs/dbraw/zinc/18/39/19/834183919.db2.gz HCDALKDMZZGZKJ-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C[C@@H](O)COC)C1 ZINC001190722999 834183923 /nfs/dbraw/zinc/18/39/23/834183923.db2.gz HCDALKDMZZGZKJ-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C[C@@H](O)COC)C1 ZINC001190722999 834183925 /nfs/dbraw/zinc/18/39/25/834183925.db2.gz HCDALKDMZZGZKJ-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190722956 834184501 /nfs/dbraw/zinc/18/45/01/834184501.db2.gz HCDALKDMZZGZKJ-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190722956 834184502 /nfs/dbraw/zinc/18/45/02/834184502.db2.gz HCDALKDMZZGZKJ-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C[C@H](O)COC)C1 ZINC001190722956 834184504 /nfs/dbraw/zinc/18/45/04/834184504.db2.gz HCDALKDMZZGZKJ-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)C[C@H](O)COC)C1 ZINC001190722956 834184505 /nfs/dbraw/zinc/18/45/05/834184505.db2.gz HCDALKDMZZGZKJ-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775529 834191160 /nfs/dbraw/zinc/19/11/60/834191160.db2.gz HRRPHHJHQJCSOT-HOCLYGCPSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775529 834191163 /nfs/dbraw/zinc/19/11/63/834191163.db2.gz HRRPHHJHQJCSOT-HOCLYGCPSA-N 2 1 322.453 -0.145 20 30 DBEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192190109 834340438 /nfs/dbraw/zinc/34/04/38/834340438.db2.gz LNUNLTJXHUJVKV-UKRRQHHQSA-N 2 1 323.441 -0.255 20 30 DBEDMP CC(C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192190109 834340448 /nfs/dbraw/zinc/34/04/48/834340448.db2.gz LNUNLTJXHUJVKV-UKRRQHHQSA-N 2 1 323.441 -0.255 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)[C@@H]1CC[NH2+]C1 ZINC001238670575 834363879 /nfs/dbraw/zinc/36/38/79/834363879.db2.gz JWDZXKCGVKJGHL-NEPJUHHUSA-N 2 1 319.427 -0.506 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192387678 834369473 /nfs/dbraw/zinc/36/94/73/834369473.db2.gz XYYJGQHDVQBYGC-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001192387678 834369482 /nfs/dbraw/zinc/36/94/82/834369482.db2.gz XYYJGQHDVQBYGC-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C=CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047772 834413006 /nfs/dbraw/zinc/41/30/06/834413006.db2.gz SZYVIOLQRYWBCG-HNLJFRNMSA-N 2 1 324.421 -0.120 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CN[C@H](C(=O)OC)C1 ZINC001246305484 834428197 /nfs/dbraw/zinc/42/81/97/834428197.db2.gz IAZULTYDVPUZAH-AGIUHOORSA-N 2 1 313.398 -0.294 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461237 834498996 /nfs/dbraw/zinc/49/89/96/834498996.db2.gz GWOUWXFPMURDJX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461237 834499001 /nfs/dbraw/zinc/49/90/01/834499001.db2.gz GWOUWXFPMURDJX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193461237 834499008 /nfs/dbraw/zinc/49/90/08/834499008.db2.gz GWOUWXFPMURDJX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193461237 834499014 /nfs/dbraw/zinc/49/90/14/834499014.db2.gz GWOUWXFPMURDJX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCOC[C@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001251854292 834510990 /nfs/dbraw/zinc/51/09/90/834510990.db2.gz ADWSBFGSSMLXGP-MRXNPFEDSA-N 2 1 323.437 -0.341 20 30 DBEDMP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193623047 834516458 /nfs/dbraw/zinc/51/64/58/834516458.db2.gz WQYBOQVCTMMZRA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193623047 834516464 /nfs/dbraw/zinc/51/64/64/834516464.db2.gz WQYBOQVCTMMZRA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193623047 834516474 /nfs/dbraw/zinc/51/64/74/834516474.db2.gz WQYBOQVCTMMZRA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193623047 834516482 /nfs/dbraw/zinc/51/64/82/834516482.db2.gz WQYBOQVCTMMZRA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640870 834518421 /nfs/dbraw/zinc/51/84/21/834518421.db2.gz FZCORHRKVHOUBM-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640870 834518429 /nfs/dbraw/zinc/51/84/29/834518429.db2.gz FZCORHRKVHOUBM-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640870 834518437 /nfs/dbraw/zinc/51/84/37/834518437.db2.gz FZCORHRKVHOUBM-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194102220 834567059 /nfs/dbraw/zinc/56/70/59/834567059.db2.gz FFPXLUWDEWKDGS-HUUCEWRRSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293680 834587438 /nfs/dbraw/zinc/58/74/38/834587438.db2.gz ILBOKCQLLKIWIT-CABCVRRESA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293680 834587442 /nfs/dbraw/zinc/58/74/42/834587442.db2.gz ILBOKCQLLKIWIT-CABCVRRESA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293680 834587453 /nfs/dbraw/zinc/58/74/53/834587453.db2.gz ILBOKCQLLKIWIT-CABCVRRESA-N 2 1 322.453 -0.003 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001198699112 834962021 /nfs/dbraw/zinc/96/20/21/834962021.db2.gz JDMSXALPGGUFFC-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001264025777 835001703 /nfs/dbraw/zinc/00/17/03/835001703.db2.gz XEXJLCBJEINMCV-GFCCVEGCSA-N 2 1 303.366 -0.385 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200123018 835095840 /nfs/dbraw/zinc/09/58/40/835095840.db2.gz KHZVGKSRHHXUOB-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182802 835103589 /nfs/dbraw/zinc/10/35/89/835103589.db2.gz UGLOOYUPJLIHHJ-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182802 835103593 /nfs/dbraw/zinc/10/35/93/835103593.db2.gz UGLOOYUPJLIHHJ-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001265199026 835105926 /nfs/dbraw/zinc/10/59/26/835105926.db2.gz MXLVOQJNHAIHMP-UHFFFAOYSA-N 2 1 323.441 -0.109 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N(C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001265199026 835105931 /nfs/dbraw/zinc/10/59/31/835105931.db2.gz MXLVOQJNHAIHMP-UHFFFAOYSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001265481529 835146326 /nfs/dbraw/zinc/14/63/26/835146326.db2.gz MPIOLRMZYCSUKV-RBSFLKMASA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200722127 835149039 /nfs/dbraw/zinc/14/90/39/835149039.db2.gz UNAGADLCFGYNRN-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCCO)C1 ZINC001200722127 835149041 /nfs/dbraw/zinc/14/90/41/835149041.db2.gz UNAGADLCFGYNRN-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001265726415 835165910 /nfs/dbraw/zinc/16/59/10/835165910.db2.gz CRQMHGNZOCIIQN-SEBNEYGDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265726415 835165914 /nfs/dbraw/zinc/16/59/14/835165914.db2.gz CRQMHGNZOCIIQN-SEBNEYGDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265726415 835165918 /nfs/dbraw/zinc/16/59/18/835165918.db2.gz CRQMHGNZOCIIQN-SEBNEYGDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001265719516 835166443 /nfs/dbraw/zinc/16/64/43/835166443.db2.gz MJIIKMQNBIVYTP-VQJWOFKYSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001265719516 835166446 /nfs/dbraw/zinc/16/64/46/835166446.db2.gz MJIIKMQNBIVYTP-VQJWOFKYSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001265719516 835166450 /nfs/dbraw/zinc/16/64/50/835166450.db2.gz MJIIKMQNBIVYTP-VQJWOFKYSA-N 2 1 320.437 -0.182 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001265744620 835167402 /nfs/dbraw/zinc/16/74/02/835167402.db2.gz OLEQOJLLSDXFPL-WLYUNCDWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001201094700 835168429 /nfs/dbraw/zinc/16/84/29/835168429.db2.gz VDCWJQIMLIBOPT-INIZCTEOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCOCCO)CC1 ZINC001201094700 835168433 /nfs/dbraw/zinc/16/84/33/835168433.db2.gz VDCWJQIMLIBOPT-INIZCTEOSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001201229654 835176592 /nfs/dbraw/zinc/17/65/92/835176592.db2.gz FNRDODIUUDJRKK-GDBMZVCRSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001201229654 835176598 /nfs/dbraw/zinc/17/65/98/835176598.db2.gz FNRDODIUUDJRKK-GDBMZVCRSA-N 2 1 323.437 -0.064 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265930966 835201254 /nfs/dbraw/zinc/20/12/54/835201254.db2.gz QOWFZQWOBOVZDL-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265967801 835210605 /nfs/dbraw/zinc/21/06/05/835210605.db2.gz YUEYAWZTFRIBSY-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265967801 835210607 /nfs/dbraw/zinc/21/06/07/835210607.db2.gz YUEYAWZTFRIBSY-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037638 835220425 /nfs/dbraw/zinc/22/04/25/835220425.db2.gz VSGAANNCPQFNKY-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037638 835220433 /nfs/dbraw/zinc/22/04/33/835220433.db2.gz VSGAANNCPQFNKY-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202114718 835233984 /nfs/dbraw/zinc/23/39/84/835233984.db2.gz ALMKPVKPUCUGJN-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202114718 835233991 /nfs/dbraw/zinc/23/39/91/835233991.db2.gz ALMKPVKPUCUGJN-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154606 835239393 /nfs/dbraw/zinc/23/93/93/835239393.db2.gz CJQDYCJSSLNCSQ-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266182639 835243143 /nfs/dbraw/zinc/24/31/43/835243143.db2.gz MTQAPFOSCNWWCZ-ZIAGYGMSSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266182636 835243619 /nfs/dbraw/zinc/24/36/19/835243619.db2.gz MTQAPFOSCNWWCZ-KBPBESRZSA-N 2 1 308.426 -0.438 20 30 DBEDMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202504898 835251800 /nfs/dbraw/zinc/25/18/00/835251800.db2.gz WRFGQAWJARUDNP-JSGCOSHPSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001202495281 835252107 /nfs/dbraw/zinc/25/21/07/835252107.db2.gz CFUCXQFEURDVEJ-CQSZACIVSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202504893 835252479 /nfs/dbraw/zinc/25/24/79/835252479.db2.gz WRFGQAWJARUDNP-GXTWGEPZSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CC[NH+]1CCN(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001266285869 835265165 /nfs/dbraw/zinc/26/51/65/835265165.db2.gz QAZYOKZTAKUCKW-MRXNPFEDSA-N 2 1 304.438 -0.305 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203692074 835304825 /nfs/dbraw/zinc/30/48/25/835304825.db2.gz DARCUGWDQPYGKD-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266518122 835327269 /nfs/dbraw/zinc/32/72/69/835327269.db2.gz USWWIOKAWDNWAR-ZBFHGGJFSA-N 2 1 322.453 -0.240 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266546908 835335138 /nfs/dbraw/zinc/33/51/38/835335138.db2.gz ZGRRYMLQXSBOCM-AWEZNQCLSA-N 2 1 320.437 -0.178 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001205479782 835345079 /nfs/dbraw/zinc/34/50/79/835345079.db2.gz XZUJHOJRWXJGNR-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001205479782 835345085 /nfs/dbraw/zinc/34/50/85/835345085.db2.gz XZUJHOJRWXJGNR-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815179 835389117 /nfs/dbraw/zinc/38/91/17/835389117.db2.gz KZOOSXQHJDZABC-ZNMIVQPWSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001206927823 835437092 /nfs/dbraw/zinc/43/70/92/835437092.db2.gz SBYJUWIOAHGDFI-OAHLLOKOSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267069519 835439604 /nfs/dbraw/zinc/43/96/04/835439604.db2.gz YKKHVJZPUOGNDE-KGLIPLIRSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267299217 835480905 /nfs/dbraw/zinc/48/09/05/835480905.db2.gz AZBSAEZAYFFBII-CQSZACIVSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001267587595 835537071 /nfs/dbraw/zinc/53/70/71/835537071.db2.gz BAAVSJRXLYEJBT-OAHLLOKOSA-N 2 1 322.453 -0.142 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268098555 835632538 /nfs/dbraw/zinc/63/25/38/835632538.db2.gz UAJSGCXKQALFNB-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268353290 835674739 /nfs/dbraw/zinc/67/47/39/835674739.db2.gz DYEVBTGNRYUUEH-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268353290 835674745 /nfs/dbraw/zinc/67/47/45/835674745.db2.gz DYEVBTGNRYUUEH-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nncn1C ZINC001268373419 835678614 /nfs/dbraw/zinc/67/86/14/835678614.db2.gz LGVXFOKGGADVJI-KGLIPLIRSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nncn1C ZINC001268373419 835678621 /nfs/dbraw/zinc/67/86/21/835678621.db2.gz LGVXFOKGGADVJI-KGLIPLIRSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486092229 1013672818 /nfs/dbraw/zinc/67/28/18/1013672818.db2.gz CGTXUHVXOGAGCQ-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001527802417 1014295478 /nfs/dbraw/zinc/29/54/78/1014295478.db2.gz ACZSUPBUTLTERH-ZBFHGGJFSA-N 2 1 304.438 -0.021 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550955 978218051 /nfs/dbraw/zinc/21/80/51/978218051.db2.gz OQZAJEUOXZEPGE-XPKDYRNWSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001207550955 978218060 /nfs/dbraw/zinc/21/80/60/978218060.db2.gz OQZAJEUOXZEPGE-XPKDYRNWSA-N 2 1 320.437 -0.488 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688063 978236354 /nfs/dbraw/zinc/23/63/54/978236354.db2.gz LKEMCEBFMCKXJQ-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001208353059 978349825 /nfs/dbraw/zinc/34/98/25/978349825.db2.gz WINGCGYRISVWSU-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001208353059 978349833 /nfs/dbraw/zinc/34/98/33/978349833.db2.gz WINGCGYRISVWSU-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209633788 978466339 /nfs/dbraw/zinc/46/63/39/978466339.db2.gz XYNDFWWKVNBVBZ-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210033742 978490076 /nfs/dbraw/zinc/49/00/76/978490076.db2.gz YJFKSEHXXRKINL-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210033742 978490080 /nfs/dbraw/zinc/49/00/80/978490080.db2.gz YJFKSEHXXRKINL-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033742 978490086 /nfs/dbraw/zinc/49/00/86/978490086.db2.gz YJFKSEHXXRKINL-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210033742 978490093 /nfs/dbraw/zinc/49/00/93/978490093.db2.gz YJFKSEHXXRKINL-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210481907 978514973 /nfs/dbraw/zinc/51/49/73/978514973.db2.gz GSSYNVHIRWKFGT-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210513927 978515334 /nfs/dbraw/zinc/51/53/34/978515334.db2.gz PKQUEXDYPNRPBY-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210513927 978515341 /nfs/dbraw/zinc/51/53/41/978515341.db2.gz PKQUEXDYPNRPBY-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210513927 978515348 /nfs/dbraw/zinc/51/53/48/978515348.db2.gz PKQUEXDYPNRPBY-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210513927 978515358 /nfs/dbraw/zinc/51/53/58/978515358.db2.gz PKQUEXDYPNRPBY-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026116 978549702 /nfs/dbraw/zinc/54/97/02/978549702.db2.gz SCMIXIAGBPRYOO-HZSPNIEDSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026116 978549716 /nfs/dbraw/zinc/54/97/16/978549716.db2.gz SCMIXIAGBPRYOO-HZSPNIEDSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026116 978549725 /nfs/dbraw/zinc/54/97/25/978549725.db2.gz SCMIXIAGBPRYOO-HZSPNIEDSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026116 978549738 /nfs/dbraw/zinc/54/97/38/978549738.db2.gz SCMIXIAGBPRYOO-HZSPNIEDSA-N 2 1 306.410 -0.876 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065586 978552901 /nfs/dbraw/zinc/55/29/01/978552901.db2.gz XSHXLKHBAKDRRD-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216515973 978788177 /nfs/dbraw/zinc/78/81/77/978788177.db2.gz WHQLTGOMNRNUDM-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216756175 978792864 /nfs/dbraw/zinc/79/28/64/978792864.db2.gz VSNLPWMSZIWZQU-DGCLKSJQSA-N 2 1 318.381 -0.732 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216754531 978792892 /nfs/dbraw/zinc/79/28/92/978792892.db2.gz ZNYBZHSAFJUFPW-JHJVBQTASA-N 2 1 307.398 -0.986 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216756125 978793404 /nfs/dbraw/zinc/79/34/04/978793404.db2.gz TUIGAPBOIILCPJ-TZMCWYRMSA-N 2 1 317.393 -0.623 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001216801418 978794814 /nfs/dbraw/zinc/79/48/14/978794814.db2.gz NCFFGDUTIYNYJN-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001216801418 978794808 /nfs/dbraw/zinc/79/48/08/978794808.db2.gz NCFFGDUTIYNYJN-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853423 978795962 /nfs/dbraw/zinc/79/59/62/978795962.db2.gz AYEVGKLIOFXENC-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](O)C1 ZINC001219643541 978988429 /nfs/dbraw/zinc/98/84/29/978988429.db2.gz XWXOUJRPIHDHGM-XHSDSOJGSA-N 2 1 323.437 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803771 979018521 /nfs/dbraw/zinc/01/85/21/979018521.db2.gz FLQUBNIRKXNFPY-ILXRZTDVSA-N 2 1 311.426 -0.310 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOCC)C[C@@H]1O ZINC001219821775 979025382 /nfs/dbraw/zinc/02/53/82/979025382.db2.gz XVFREYRSIGMXRM-ILXRZTDVSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC)C[C@@H]1O ZINC001219821775 979025391 /nfs/dbraw/zinc/02/53/91/979025391.db2.gz XVFREYRSIGMXRM-ILXRZTDVSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001222613351 979523338 /nfs/dbraw/zinc/52/33/38/979523338.db2.gz XPNJLMYVXUCLSR-OAHLLOKOSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]21 ZINC001223430091 979550750 /nfs/dbraw/zinc/55/07/50/979550750.db2.gz GIEBZSMCJACEIP-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225428247 979596883 /nfs/dbraw/zinc/59/68/83/979596883.db2.gz YYNWSHIVPOKUJW-CQSZACIVSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC(=O)NCC#N)CC2)C1 ZINC001225428247 979596890 /nfs/dbraw/zinc/59/68/90/979596890.db2.gz YYNWSHIVPOKUJW-CQSZACIVSA-N 2 1 321.425 -0.594 20 30 DBEDMP CN1CC[NH+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC001331322606 979871878 /nfs/dbraw/zinc/87/18/78/979871878.db2.gz RERJKPLCRPOJHH-ISXOHVOVSA-N 2 1 319.453 -0.121 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(CO)COC[C@@H]2CCCN21 ZINC001348746258 980356339 /nfs/dbraw/zinc/35/63/39/980356339.db2.gz BCCBRQJUAHNURF-YQQAZPJKSA-N 2 1 321.421 -0.574 20 30 DBEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001489155953 1014688907 /nfs/dbraw/zinc/68/89/07/1014688907.db2.gz PIIMRNVOUZHJFP-LSDHHAIUSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001489155953 1014688910 /nfs/dbraw/zinc/68/89/10/1014688910.db2.gz PIIMRNVOUZHJFP-LSDHHAIUSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001489155953 1014688923 /nfs/dbraw/zinc/68/89/23/1014688923.db2.gz PIIMRNVOUZHJFP-LSDHHAIUSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001489155953 1014688937 /nfs/dbraw/zinc/68/89/37/1014688937.db2.gz PIIMRNVOUZHJFP-LSDHHAIUSA-N 2 1 311.426 -0.212 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](CC)C(N)=O ZINC001490209168 1014894674 /nfs/dbraw/zinc/89/46/74/1014894674.db2.gz UTTHBWQLRRMRQP-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](CC)C(N)=O ZINC001490209168 1014894678 /nfs/dbraw/zinc/89/46/78/1014894678.db2.gz UTTHBWQLRRMRQP-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](CC)C(N)=O ZINC001490209168 1014894679 /nfs/dbraw/zinc/89/46/79/1014894679.db2.gz UTTHBWQLRRMRQP-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](CC)C(N)=O ZINC001490209168 1014894684 /nfs/dbraw/zinc/89/46/84/1014894684.db2.gz UTTHBWQLRRMRQP-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001490768020 1015115799 /nfs/dbraw/zinc/11/57/99/1015115799.db2.gz XPLTZWLDRQYGSA-CABCVRRESA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001490768020 1015115807 /nfs/dbraw/zinc/11/58/07/1015115807.db2.gz XPLTZWLDRQYGSA-CABCVRRESA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001490768020 1015115815 /nfs/dbraw/zinc/11/58/15/1015115815.db2.gz XPLTZWLDRQYGSA-CABCVRRESA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001490768020 1015115827 /nfs/dbraw/zinc/11/58/27/1015115827.db2.gz XPLTZWLDRQYGSA-CABCVRRESA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001490947041 1015168551 /nfs/dbraw/zinc/16/85/51/1015168551.db2.gz VWQRHMYEZUBQBJ-XGUBFFRZSA-N 2 1 320.437 -0.297 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001491004378 1015187155 /nfs/dbraw/zinc/18/71/55/1015187155.db2.gz GACIBRCJJALKHQ-MQYQWHSLSA-N 2 1 324.425 -0.756 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001491004378 1015187157 /nfs/dbraw/zinc/18/71/57/1015187157.db2.gz GACIBRCJJALKHQ-MQYQWHSLSA-N 2 1 324.425 -0.756 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491117965 1015240757 /nfs/dbraw/zinc/24/07/57/1015240757.db2.gz WAVCHDAFVPTFGS-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001491117965 1015240764 /nfs/dbraw/zinc/24/07/64/1015240764.db2.gz WAVCHDAFVPTFGS-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001491117965 1015240771 /nfs/dbraw/zinc/24/07/71/1015240771.db2.gz WAVCHDAFVPTFGS-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357113 1015898576 /nfs/dbraw/zinc/89/85/76/1015898576.db2.gz OKNUOJOUVUZYBW-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001493357113 1015898577 /nfs/dbraw/zinc/89/85/77/1015898577.db2.gz OKNUOJOUVUZYBW-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357113 1015898579 /nfs/dbraw/zinc/89/85/79/1015898579.db2.gz OKNUOJOUVUZYBW-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC001493357113 1015898586 /nfs/dbraw/zinc/89/85/86/1015898586.db2.gz OKNUOJOUVUZYBW-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001495107747 1016551115 /nfs/dbraw/zinc/55/11/15/1016551115.db2.gz JYZKALNSSJAYBJ-GXTWGEPZSA-N 2 1 319.409 -0.186 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC1(C[NH2+]CC(=O)NCC#N)CCCC1 ZINC001495212400 1016582336 /nfs/dbraw/zinc/58/23/36/1016582336.db2.gz SWVGJZMDCCRJBS-UHFFFAOYSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495231317 1016587258 /nfs/dbraw/zinc/58/72/58/1016587258.db2.gz DFJBRCSOSXZOQQ-WMLDXEAASA-N 2 1 320.437 -0.296 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001495588359 1016658153 /nfs/dbraw/zinc/65/81/53/1016658153.db2.gz VXJBOKPSJCRAIE-ZIAGYGMSSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496064045 1016829952 /nfs/dbraw/zinc/82/99/52/1016829952.db2.gz NPPSZPFHHFWYNG-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001477275327 1010091830 /nfs/dbraw/zinc/09/18/30/1010091830.db2.gz RNAYXZJSBTYNKC-UHFFFAOYSA-N 2 1 323.441 -0.549 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(=O)NC)CC1 ZINC001477275327 1010091843 /nfs/dbraw/zinc/09/18/43/1010091843.db2.gz RNAYXZJSBTYNKC-UHFFFAOYSA-N 2 1 323.441 -0.549 20 30 DBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001479815804 1010398541 /nfs/dbraw/zinc/39/85/41/1010398541.db2.gz NGRXQFCHOQYWHT-OKILXGFUSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001479815804 1010398549 /nfs/dbraw/zinc/39/85/49/1010398549.db2.gz NGRXQFCHOQYWHT-OKILXGFUSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001479815804 1010398561 /nfs/dbraw/zinc/39/85/61/1010398561.db2.gz NGRXQFCHOQYWHT-OKILXGFUSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480139367 1010552327 /nfs/dbraw/zinc/55/23/27/1010552327.db2.gz SPTPDLFPWWRXJQ-IHRRRGAJSA-N 2 1 321.425 -0.264 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481278941 1010880425 /nfs/dbraw/zinc/88/04/25/1010880425.db2.gz COBPYPLVTSJVMD-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001481290241 1010883069 /nfs/dbraw/zinc/88/30/69/1010883069.db2.gz FTCQRTVDVHOWTD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001481290246 1010883181 /nfs/dbraw/zinc/88/31/81/1010883181.db2.gz FTCQRTVDVHOWTD-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740222 1010984787 /nfs/dbraw/zinc/98/47/87/1010984787.db2.gz MRFTZOJLHQXPPC-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740222 1010984792 /nfs/dbraw/zinc/98/47/92/1010984792.db2.gz MRFTZOJLHQXPPC-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812740 1011006227 /nfs/dbraw/zinc/00/62/27/1011006227.db2.gz SIZXUCKOSKZCOB-HZSPNIEDSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354855 1011128286 /nfs/dbraw/zinc/12/82/86/1011128286.db2.gz UWKRABBMSVRXCD-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001482537458 1011172946 /nfs/dbraw/zinc/17/29/46/1011172946.db2.gz CRBQBUMKSHYNRE-LSDHHAIUSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001482760948 1011400041 /nfs/dbraw/zinc/40/00/41/1011400041.db2.gz BIARMIMGRPQGAH-DZGCQCFKSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482768266 1011415873 /nfs/dbraw/zinc/41/58/73/1011415873.db2.gz SIPSJKSSPHJOLZ-UKRRQHHQSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482768263 1011416777 /nfs/dbraw/zinc/41/67/77/1011416777.db2.gz SIPSJKSSPHJOLZ-DZGCQCFKSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483136602 1011718367 /nfs/dbraw/zinc/71/83/67/1011718367.db2.gz YRTCKIUGTPDWKZ-RDBSUJKOSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001483136602 1011718389 /nfs/dbraw/zinc/71/83/89/1011718389.db2.gz YRTCKIUGTPDWKZ-RDBSUJKOSA-N 2 1 306.410 -0.591 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC001483266143 1011821268 /nfs/dbraw/zinc/82/12/68/1011821268.db2.gz DRVFAHFKGWBZGR-LBPRGKRZSA-N 2 1 311.430 -0.302 20 30 DBEDMP CN(CCC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001483473962 1011884162 /nfs/dbraw/zinc/88/41/62/1011884162.db2.gz DWKWRMKWKASTRR-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001483791578 1012143504 /nfs/dbraw/zinc/14/35/04/1012143504.db2.gz YJOYKUGGMBHOFB-GFCCVEGCSA-N 2 1 317.393 -0.432 20 30 DBEDMP CC[C@@H](C(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1)[NH+](C)C ZINC001483970634 1012234214 /nfs/dbraw/zinc/23/42/14/1012234214.db2.gz GLZDYWKXYNFDMN-ZDUSSCGKSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234243 1012428382 /nfs/dbraw/zinc/42/83/82/1012428382.db2.gz SYNKNEUDDPEDGR-RHSMWYFYSA-N 2 1 316.405 -0.060 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234243 1012428395 /nfs/dbraw/zinc/42/83/95/1012428395.db2.gz SYNKNEUDDPEDGR-RHSMWYFYSA-N 2 1 316.405 -0.060 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496991721 1017174533 /nfs/dbraw/zinc/17/45/33/1017174533.db2.gz MOQJRJQPYQKHFH-HUUCEWRRSA-N 2 1 311.426 -0.423 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496991723 1017174683 /nfs/dbraw/zinc/17/46/83/1017174683.db2.gz MOQJRJQPYQKHFH-LSDHHAIUSA-N 2 1 311.426 -0.423 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)CN(C)CC(=O)NCC#N ZINC001498454921 1017807216 /nfs/dbraw/zinc/80/72/16/1017807216.db2.gz GWOYAIYGEPPTBV-LLVKDONJSA-N 2 1 306.370 -0.732 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001498774908 1017864674 /nfs/dbraw/zinc/86/46/74/1017864674.db2.gz OZWYKOHYBWLBNH-KBPBESRZSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NC)C1CC1 ZINC001498774908 1017864676 /nfs/dbraw/zinc/86/46/76/1017864676.db2.gz OZWYKOHYBWLBNH-KBPBESRZSA-N 2 1 306.410 -0.686 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863685 1017877136 /nfs/dbraw/zinc/87/71/36/1017877136.db2.gz MQWNYNGAGQOPPQ-OLZOCXBDSA-N 2 1 307.398 -0.938 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001501493134 1018799186 /nfs/dbraw/zinc/79/91/86/1018799186.db2.gz RQEHOGLQVQYBCG-OAHLLOKOSA-N 2 1 311.426 -0.612 20 30 DBEDMP CN(CCC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCCC[NH+]1C ZINC001502363855 1019032044 /nfs/dbraw/zinc/03/20/44/1019032044.db2.gz RZENFMCLAYLAGW-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CN(CCC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001502363855 1019032064 /nfs/dbraw/zinc/03/20/64/1019032064.db2.gz RZENFMCLAYLAGW-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CN(CCC[NH+](C)CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001502363855 1019032083 /nfs/dbraw/zinc/03/20/83/1019032083.db2.gz RZENFMCLAYLAGW-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001502861312 1019203734 /nfs/dbraw/zinc/20/37/34/1019203734.db2.gz FUEBQZWLHQJMLA-AWEZNQCLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001502861312 1019203752 /nfs/dbraw/zinc/20/37/52/1019203752.db2.gz FUEBQZWLHQJMLA-AWEZNQCLSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC#CC[C@@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001574973141 1019333827 /nfs/dbraw/zinc/33/38/27/1019333827.db2.gz SSUKXBJKTLIFLS-ZIAGYGMSSA-N 2 1 324.425 -0.978 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506065540 1019704717 /nfs/dbraw/zinc/70/47/17/1019704717.db2.gz QRMHMRYXHCOBLD-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506065540 1019704726 /nfs/dbraw/zinc/70/47/26/1019704726.db2.gz QRMHMRYXHCOBLD-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001506886992 1019982815 /nfs/dbraw/zinc/98/28/15/1019982815.db2.gz YFCIUPSQQBXXEO-JOCQHMNTSA-N 2 1 321.425 -0.405 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507083604 1020082856 /nfs/dbraw/zinc/08/28/56/1020082856.db2.gz UFKQXHWLGDGOTN-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001507331555 1020294583 /nfs/dbraw/zinc/29/45/83/1020294583.db2.gz LZBYGXRHSYJQAN-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507343294 1020296824 /nfs/dbraw/zinc/29/68/24/1020296824.db2.gz XLRBKASOLPBCNS-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP COC(=O)CC[N@@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001565496388 1024055791 /nfs/dbraw/zinc/05/57/91/1024055791.db2.gz HPYPSPCEUFYCAL-AWEZNQCLSA-N 2 1 324.425 -0.170 20 30 DBEDMP COC(=O)CC[N@H+]1CCN(C(=O)NCC#CC[NH+](C)C)[C@@H](C)C1 ZINC001565496388 1024055810 /nfs/dbraw/zinc/05/58/10/1024055810.db2.gz HPYPSPCEUFYCAL-AWEZNQCLSA-N 2 1 324.425 -0.170 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC001566552568 1024252847 /nfs/dbraw/zinc/25/28/47/1024252847.db2.gz BAPFVUVQHBTTDE-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@@H]1CCNC1=O ZINC001566552568 1024252864 /nfs/dbraw/zinc/25/28/64/1024252864.db2.gz BAPFVUVQHBTTDE-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H]1CCNC1=O ZINC001566552568 1024252880 /nfs/dbraw/zinc/25/28/80/1024252880.db2.gz BAPFVUVQHBTTDE-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H]1CCNC1=O ZINC001566552568 1024252890 /nfs/dbraw/zinc/25/28/90/1024252890.db2.gz BAPFVUVQHBTTDE-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001566844697 1024388915 /nfs/dbraw/zinc/38/89/15/1024388915.db2.gz RUXWNIXCQCYVIG-XQQFMLRXSA-N 2 1 307.398 -0.653 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001566982025 1024453493 /nfs/dbraw/zinc/45/34/93/1024453493.db2.gz RBSJZSAKDUXSAK-YMAMQOFZSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001567025074 1024476507 /nfs/dbraw/zinc/47/65/07/1024476507.db2.gz UDVHISNRAHKXSK-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001567035687 1024483349 /nfs/dbraw/zinc/48/33/49/1024483349.db2.gz DZFLZUPTGIKRJL-WCQYABFASA-N 2 1 305.382 -0.576 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001567118720 1024529813 /nfs/dbraw/zinc/52/98/13/1024529813.db2.gz WPTAUXMSKGTRRT-GJZGRUSLSA-N 2 1 309.410 -0.595 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001567118720 1024529833 /nfs/dbraw/zinc/52/98/33/1024529833.db2.gz WPTAUXMSKGTRRT-GJZGRUSLSA-N 2 1 309.410 -0.595 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567140607 1024542265 /nfs/dbraw/zinc/54/22/65/1024542265.db2.gz OJXHQGXAGUFORY-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567415936 1024676869 /nfs/dbraw/zinc/67/68/69/1024676869.db2.gz RATAENSFACXQGW-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416025 1024679967 /nfs/dbraw/zinc/67/99/67/1024679967.db2.gz SZMAWGBKIHPQKR-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416025 1024679988 /nfs/dbraw/zinc/67/99/88/1024679988.db2.gz SZMAWGBKIHPQKR-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416028 1024690941 /nfs/dbraw/zinc/69/09/41/1024690941.db2.gz SZMAWGBKIHPQKR-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416028 1024690970 /nfs/dbraw/zinc/69/09/70/1024690970.db2.gz SZMAWGBKIHPQKR-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001567454483 1024706718 /nfs/dbraw/zinc/70/67/18/1024706718.db2.gz VUMAAQOASQVPNG-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001567454483 1024706730 /nfs/dbraw/zinc/70/67/30/1024706730.db2.gz VUMAAQOASQVPNG-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001567454483 1024706745 /nfs/dbraw/zinc/70/67/45/1024706745.db2.gz VUMAAQOASQVPNG-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567454483 1024706768 /nfs/dbraw/zinc/70/67/68/1024706768.db2.gz VUMAAQOASQVPNG-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C=CCNC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001567453905 1024707634 /nfs/dbraw/zinc/70/76/34/1024707634.db2.gz UJTUAUHUJMMUHB-UHFFFAOYSA-N 2 1 320.437 -0.035 20 30 DBEDMP C=CCNC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001567453905 1024707660 /nfs/dbraw/zinc/70/76/60/1024707660.db2.gz UJTUAUHUJMMUHB-UHFFFAOYSA-N 2 1 320.437 -0.035 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001567511165 1024753807 /nfs/dbraw/zinc/75/38/07/1024753807.db2.gz PPMOHVKVFOCTRN-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001567511165 1024753839 /nfs/dbraw/zinc/75/38/39/1024753839.db2.gz PPMOHVKVFOCTRN-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2nncn2C)CC1 ZINC001567611663 1024807224 /nfs/dbraw/zinc/80/72/24/1024807224.db2.gz QFAHUGYELHJQJA-UHFFFAOYSA-N 2 1 318.425 -0.292 20 30 DBEDMP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567708507 1024812819 /nfs/dbraw/zinc/81/28/19/1024812819.db2.gz UATIGMDHSJPAOY-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001567717392 1024813624 /nfs/dbraw/zinc/81/36/24/1024813624.db2.gz KAZNCHYIKREBCK-MRXNPFEDSA-N 2 1 324.469 -0.031 20 30 DBEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001567717392 1024813625 /nfs/dbraw/zinc/81/36/25/1024813625.db2.gz KAZNCHYIKREBCK-MRXNPFEDSA-N 2 1 324.469 -0.031 20 30 DBEDMP COCC#CCN1CC[C@@H](NC(=O)[C@@H](C)CN2CCOCC2)C1 ZINC001567900217 1024842021 /nfs/dbraw/zinc/84/20/21/1024842021.db2.gz GOOKWGSCYMPRHA-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568172563 1024869682 /nfs/dbraw/zinc/86/96/82/1024869682.db2.gz XHPKEAGBXXPCNX-BFHYXJOUSA-N 2 1 308.426 -0.582 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCN(C)C1=O ZINC001568865567 1025052784 /nfs/dbraw/zinc/05/27/84/1025052784.db2.gz GPCKVSATHUPIGC-YJQVQVLHSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCN(C)C1=O ZINC001568865567 1025052801 /nfs/dbraw/zinc/05/28/01/1025052801.db2.gz GPCKVSATHUPIGC-YJQVQVLHSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307503 1025196191 /nfs/dbraw/zinc/19/61/91/1025196191.db2.gz JICIGRBSGYGRLZ-CABCVRRESA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001569541057 1025274246 /nfs/dbraw/zinc/27/42/46/1025274246.db2.gz CWZKTDGPJUHZIY-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCN(C(=O)[C@H]1C[N@H+](CC)CCO1)C1CC[NH+](CCO)CC1 ZINC001569596025 1025281113 /nfs/dbraw/zinc/28/11/13/1025281113.db2.gz KTEUPXGIOXFNDI-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CCN(C(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC[NH+](CCO)CC1 ZINC001569596025 1025281125 /nfs/dbraw/zinc/28/11/25/1025281125.db2.gz KTEUPXGIOXFNDI-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001569760693 1025341481 /nfs/dbraw/zinc/34/14/81/1025341481.db2.gz YYCIIBJJUGKMHW-MRXNPFEDSA-N 2 1 321.425 -0.203 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001569765548 1025349382 /nfs/dbraw/zinc/34/93/82/1025349382.db2.gz OMVOQLBTRATZIJ-MRXNPFEDSA-N 2 1 311.401 -0.146 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001569765548 1025349396 /nfs/dbraw/zinc/34/93/96/1025349396.db2.gz OMVOQLBTRATZIJ-MRXNPFEDSA-N 2 1 311.401 -0.146 20 30 DBEDMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001570343776 1025578721 /nfs/dbraw/zinc/57/87/21/1025578721.db2.gz DORWYGKCPBCSBN-GXTWGEPZSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001570411027 1025609235 /nfs/dbraw/zinc/60/92/35/1025609235.db2.gz VZEADJNPRRCBJM-AWEZNQCLSA-N 2 1 309.410 -0.717 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001570411027 1025609250 /nfs/dbraw/zinc/60/92/50/1025609250.db2.gz VZEADJNPRRCBJM-AWEZNQCLSA-N 2 1 309.410 -0.717 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449960 1025622972 /nfs/dbraw/zinc/62/29/72/1025622972.db2.gz XULYJPLHEVNFAP-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449960 1025622984 /nfs/dbraw/zinc/62/29/84/1025622984.db2.gz XULYJPLHEVNFAP-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449960 1025622989 /nfs/dbraw/zinc/62/29/89/1025622989.db2.gz XULYJPLHEVNFAP-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001570449960 1025623006 /nfs/dbraw/zinc/62/30/06/1025623006.db2.gz XULYJPLHEVNFAP-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748356 1025737428 /nfs/dbraw/zinc/73/74/28/1025737428.db2.gz YFLYFVYPPHWBHF-ZDUSSCGKSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748356 1025737455 /nfs/dbraw/zinc/73/74/55/1025737455.db2.gz YFLYFVYPPHWBHF-ZDUSSCGKSA-N 2 1 306.410 -0.732 20 30 DBEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC(=O)NCC#N ZINC001570754115 1025738296 /nfs/dbraw/zinc/73/82/96/1025738296.db2.gz XFDHHPHXTZIISD-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC(=O)NCC#N ZINC001570754115 1025738309 /nfs/dbraw/zinc/73/83/09/1025738309.db2.gz XFDHHPHXTZIISD-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001571418092 1025950718 /nfs/dbraw/zinc/95/07/18/1025950718.db2.gz PXKSIKHMRAAAHS-NSHDSACASA-N 2 1 306.370 -0.732 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001571459432 1026030355 /nfs/dbraw/zinc/03/03/55/1026030355.db2.gz DLQXHYLLQYFDGL-CHWSQXEVSA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001571608532 1026124443 /nfs/dbraw/zinc/12/44/43/1026124443.db2.gz JUHVQTIWWWJVNE-LSDHHAIUSA-N 2 1 311.426 -0.661 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637922 1026132179 /nfs/dbraw/zinc/13/21/79/1026132179.db2.gz GRIJMDHAQRJGEK-STQMWFEESA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571665688 1026137505 /nfs/dbraw/zinc/13/75/05/1026137505.db2.gz GZQWVADAMGATKG-IYXRBSQSSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001571665687 1026138097 /nfs/dbraw/zinc/13/80/97/1026138097.db2.gz GZQWVADAMGATKG-HSBZDZAISA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCC[NH+]1CCN(C(=O)[C@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001574583625 1026797412 /nfs/dbraw/zinc/79/74/12/1026797412.db2.gz JSENJGXDYLXILX-AWEZNQCLSA-N 2 1 306.410 -0.649 20 30 DBEDMP C=CC[NH+]1CCC(NS(=O)(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000631917056 382654444 /nfs/dbraw/zinc/65/44/44/382654444.db2.gz FBBDCNDIRGEGEG-ZDUSSCGKSA-N 2 1 303.428 -0.455 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@@H]2C)CC1 ZINC000491753707 393828838 /nfs/dbraw/zinc/82/88/38/393828838.db2.gz PGWJAIGHBJOPTO-CABCVRRESA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@H]2CCO[C@@H]2C)CC1 ZINC000491753707 393828841 /nfs/dbraw/zinc/82/88/41/393828841.db2.gz PGWJAIGHBJOPTO-CABCVRRESA-N 2 1 309.410 -0.765 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)C[C@@H]1COCCO1)C[C@@H]1COCCO1 ZINC000661613612 411749313 /nfs/dbraw/zinc/74/93/13/411749313.db2.gz ZMZYRHRMNJQMDB-HZPDHXFCSA-N 2 1 312.410 -0.316 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260267 412173311 /nfs/dbraw/zinc/17/33/11/412173311.db2.gz JVQRSHRKAVHGLG-AWEZNQCLSA-N 2 1 308.426 -0.573 20 30 DBEDMP C[NH+]=C(NCCN1CCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261725640 275732934 /nfs/dbraw/zinc/73/29/34/275732934.db2.gz LDZMXXGZERMMQF-HNNXBMFYSA-N 2 1 309.458 -0.078 20 30 DBEDMP C[NH+]=C(NC[C@H]1C[NH+]2CCN1CC2)N1CC[NH+](CC(C)C)CC1 ZINC000262805379 276843769 /nfs/dbraw/zinc/84/37/69/276843769.db2.gz SMTFEWZLBNXVEH-INIZCTEOSA-N 3 1 322.501 -0.165 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665897 338110801 /nfs/dbraw/zinc/11/08/01/338110801.db2.gz NOCJEMGFUOHFMS-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnn(CC[NH+](C)C)c3)[C@@H]2C1 ZINC000978854575 665575814 /nfs/dbraw/zinc/57/58/14/665575814.db2.gz VHJZOPRCCASVGY-PHZGNYQRSA-N 2 1 315.421 -0.015 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC000980477393 665767223 /nfs/dbraw/zinc/76/72/23/665767223.db2.gz GKYICWIAPROALA-AWEZNQCLSA-N 2 1 306.410 -0.650 20 30 DBEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261663703 665964152 /nfs/dbraw/zinc/96/41/52/665964152.db2.gz BDVYNYQQGYHPNY-CMPLNLGQSA-N 2 1 317.459 -0.817 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021049043 663940671 /nfs/dbraw/zinc/94/06/71/663940671.db2.gz GBVFEGKPUNYNPV-KBUPBQIOSA-N 2 1 320.437 -0.038 20 30 DBEDMP CCOC(=O)CCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000104153536 665208649 /nfs/dbraw/zinc/20/86/49/665208649.db2.gz XFFNOCYYRHWCQV-UHFFFAOYSA-N 2 1 300.403 -0.044 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261832833 670921559 /nfs/dbraw/zinc/92/15/59/670921559.db2.gz VQZDNKYCEIBFSS-UONOGXRCSA-N 2 1 324.473 -0.605 20 30 DBEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261968102 671154301 /nfs/dbraw/zinc/15/43/01/671154301.db2.gz PPQKDQQQOOHLOK-AWEZNQCLSA-N 2 1 308.426 -0.026 20 30 DBEDMP COC[C@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303982502 671492450 /nfs/dbraw/zinc/49/24/50/671492450.db2.gz QDVKXHNDQRKTGG-STQMWFEESA-N 2 1 313.446 -0.132 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(N)=O)CC1 ZINC000985476302 671493474 /nfs/dbraw/zinc/49/34/74/671493474.db2.gz QMJDYESEKJABIX-AWEZNQCLSA-N 2 1 306.410 -0.508 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(N)=O)CC1 ZINC000985476302 671493476 /nfs/dbraw/zinc/49/34/76/671493476.db2.gz QMJDYESEKJABIX-AWEZNQCLSA-N 2 1 306.410 -0.508 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985476302 671493479 /nfs/dbraw/zinc/49/34/79/671493479.db2.gz QMJDYESEKJABIX-AWEZNQCLSA-N 2 1 306.410 -0.508 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(N)=O)CC1 ZINC000985476302 671493482 /nfs/dbraw/zinc/49/34/82/671493482.db2.gz QMJDYESEKJABIX-AWEZNQCLSA-N 2 1 306.410 -0.508 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001030019199 671855119 /nfs/dbraw/zinc/85/51/19/671855119.db2.gz KINLOUXLNWXSOB-ZNMIVQPWSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001030019199 671855120 /nfs/dbraw/zinc/85/51/20/671855120.db2.gz KINLOUXLNWXSOB-ZNMIVQPWSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000994750013 677509784 /nfs/dbraw/zinc/50/97/84/677509784.db2.gz FVPFEUNHGQYZCW-GJZGRUSLSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000994750013 677509787 /nfs/dbraw/zinc/50/97/87/677509787.db2.gz FVPFEUNHGQYZCW-GJZGRUSLSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)CC1 ZINC000945180808 678144299 /nfs/dbraw/zinc/14/42/99/678144299.db2.gz LVIKPGAQNPMAJP-ZFWWWQNUSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)CC1 ZINC000945180808 678144300 /nfs/dbraw/zinc/14/43/00/678144300.db2.gz LVIKPGAQNPMAJP-ZFWWWQNUSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016336917 679005632 /nfs/dbraw/zinc/00/56/32/679005632.db2.gz OKNWKXHSUNUUEB-LSDHHAIUSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016336917 679005634 /nfs/dbraw/zinc/00/56/34/679005634.db2.gz OKNWKXHSUNUUEB-LSDHHAIUSA-N 2 1 318.421 -0.589 20 30 DBEDMP C=CCn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)nn1 ZINC000849044471 805856704 /nfs/dbraw/zinc/85/67/04/805856704.db2.gz QQBXFLFGESYDKL-UHFFFAOYSA-N 2 1 307.402 -0.200 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316619577 805969704 /nfs/dbraw/zinc/96/97/04/805969704.db2.gz JGIRHTVGQFKGSE-BYNSBNAKSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001317113372 806090420 /nfs/dbraw/zinc/09/04/20/806090420.db2.gz MUVIJZOZIJHSRY-FQUUOJAGSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001317113372 806090428 /nfs/dbraw/zinc/09/04/28/806090428.db2.gz MUVIJZOZIJHSRY-FQUUOJAGSA-N 2 1 306.410 -0.545 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317145836 806098228 /nfs/dbraw/zinc/09/82/28/806098228.db2.gz FRYGMXMDAGQXOE-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317145836 806098234 /nfs/dbraw/zinc/09/82/34/806098234.db2.gz FRYGMXMDAGQXOE-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001317213663 806106802 /nfs/dbraw/zinc/10/68/02/806106802.db2.gz RCAKZEUVUVTLBT-MRLBHPIUSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001317254147 806115254 /nfs/dbraw/zinc/11/52/54/806115254.db2.gz HDHXHQIXMVSQFT-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001317254147 806115259 /nfs/dbraw/zinc/11/52/59/806115259.db2.gz HDHXHQIXMVSQFT-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001317301259 806126858 /nfs/dbraw/zinc/12/68/58/806126858.db2.gz YEGCBSDEMUPEEE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001317301259 806126865 /nfs/dbraw/zinc/12/68/65/806126865.db2.gz YEGCBSDEMUPEEE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317392705 806143306 /nfs/dbraw/zinc/14/33/06/806143306.db2.gz FFYFIVLZCINAQO-KBPBESRZSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317511933 806173367 /nfs/dbraw/zinc/17/33/67/806173367.db2.gz FCKGDPHCIGNPPA-HOCLYGCPSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317511933 806173376 /nfs/dbraw/zinc/17/33/76/806173376.db2.gz FCKGDPHCIGNPPA-HOCLYGCPSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001317529472 806177693 /nfs/dbraw/zinc/17/76/93/806177693.db2.gz XHULRMCFRQTQHY-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001317529472 806177699 /nfs/dbraw/zinc/17/76/99/806177699.db2.gz XHULRMCFRQTQHY-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001317529472 806177702 /nfs/dbraw/zinc/17/77/02/806177702.db2.gz XHULRMCFRQTQHY-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001317529472 806177707 /nfs/dbraw/zinc/17/77/07/806177707.db2.gz XHULRMCFRQTQHY-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318512638 806307739 /nfs/dbraw/zinc/30/77/39/806307739.db2.gz TVVDZFYAKKOKNG-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318512638 806307748 /nfs/dbraw/zinc/30/77/48/806307748.db2.gz TVVDZFYAKKOKNG-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001319942466 806421288 /nfs/dbraw/zinc/42/12/88/806421288.db2.gz BBYYCYSBKHTMMW-CABCVRRESA-N 2 1 322.453 -0.192 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320263546 806465153 /nfs/dbraw/zinc/46/51/53/806465153.db2.gz NOVGTKQRQOAZGC-SOUVJXGZSA-N 2 1 311.426 -0.567 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](CC)C(N)=O ZINC001320756380 806524717 /nfs/dbraw/zinc/52/47/17/806524717.db2.gz VXQFWKVZYRHZFU-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](CC)C(N)=O ZINC001320756380 806524720 /nfs/dbraw/zinc/52/47/20/806524720.db2.gz VXQFWKVZYRHZFU-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O ZINC001320755201 806524938 /nfs/dbraw/zinc/52/49/38/806524938.db2.gz CZROSPMUPHCSHP-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H]1CCNC1=O ZINC001320755201 806524939 /nfs/dbraw/zinc/52/49/39/806524939.db2.gz CZROSPMUPHCSHP-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001321098682 806572082 /nfs/dbraw/zinc/57/20/82/806572082.db2.gz YMWMQIRHHPHKGV-YVACAVLKSA-N 2 1 316.405 -0.905 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001321098682 806572086 /nfs/dbraw/zinc/57/20/86/806572086.db2.gz YMWMQIRHHPHKGV-YVACAVLKSA-N 2 1 316.405 -0.905 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001321876191 806683288 /nfs/dbraw/zinc/68/32/88/806683288.db2.gz QTAWSUYICVYHMP-STQMWFEESA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001321876190 806683693 /nfs/dbraw/zinc/68/36/93/806683693.db2.gz QTAWSUYICVYHMP-QWHCGFSZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298714 806731968 /nfs/dbraw/zinc/73/19/68/806731968.db2.gz NGTUEAKSHDGADH-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298714 806731971 /nfs/dbraw/zinc/73/19/71/806731971.db2.gz NGTUEAKSHDGADH-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001323109897 806825227 /nfs/dbraw/zinc/82/52/27/806825227.db2.gz USWFDVDWSJUPNG-ZIAGYGMSSA-N 2 1 308.426 -0.275 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001324131079 806946368 /nfs/dbraw/zinc/94/63/68/806946368.db2.gz UAXNWICGGGMIPI-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001278039444 803744645 /nfs/dbraw/zinc/74/46/45/803744645.db2.gz PSWHNNHIPZDLED-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001278039444 803744649 /nfs/dbraw/zinc/74/46/49/803744649.db2.gz PSWHNNHIPZDLED-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278178141 803764666 /nfs/dbraw/zinc/76/46/66/803764666.db2.gz BWJHQTYSSQDNKB-CQSZACIVSA-N 2 1 313.361 -0.029 20 30 DBEDMP C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC[NH+](CC(=O)NC)CC1 ZINC001278193928 803766625 /nfs/dbraw/zinc/76/66/25/803766625.db2.gz DCXAJKOPKYDTGD-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278402469 803788450 /nfs/dbraw/zinc/78/84/50/803788450.db2.gz APJVWQNBTQNKKM-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278416153 803789438 /nfs/dbraw/zinc/78/94/38/803789438.db2.gz KNKFWZRYYRQENH-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278568244 803799650 /nfs/dbraw/zinc/79/96/50/803799650.db2.gz VAWRWPPPNTVJLB-MRXNPFEDSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001278803604 803832706 /nfs/dbraw/zinc/83/27/06/803832706.db2.gz BSUJPSYYPKUWNV-ZDUSSCGKSA-N 2 1 320.393 -0.074 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCCS(C)(=O)=O ZINC000304805942 803837718 /nfs/dbraw/zinc/83/77/18/803837718.db2.gz RRWZLGCDTKREOR-LBPRGKRZSA-N 2 1 320.459 -0.564 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001279029171 803869138 /nfs/dbraw/zinc/86/91/38/803869138.db2.gz AVROCSYRDTYQRZ-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001279531207 803898783 /nfs/dbraw/zinc/89/87/83/803898783.db2.gz ZPMXWZMUDOUNDF-QGZVFWFLSA-N 2 1 323.437 -0.733 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279577009 803900049 /nfs/dbraw/zinc/90/00/49/803900049.db2.gz RAJUPYWXOWLAEH-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279577009 803900056 /nfs/dbraw/zinc/90/00/56/803900056.db2.gz RAJUPYWXOWLAEH-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279577006 803900786 /nfs/dbraw/zinc/90/07/86/803900786.db2.gz RAJUPYWXOWLAEH-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279577006 803900788 /nfs/dbraw/zinc/90/07/88/803900788.db2.gz RAJUPYWXOWLAEH-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706464 804006834 /nfs/dbraw/zinc/00/68/34/804006834.db2.gz CYFNBTFTTJPLAO-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001280706464 804006850 /nfs/dbraw/zinc/00/68/50/804006850.db2.gz CYFNBTFTTJPLAO-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001280706464 804006860 /nfs/dbraw/zinc/00/68/60/804006860.db2.gz CYFNBTFTTJPLAO-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001280706464 804006869 /nfs/dbraw/zinc/00/68/69/804006869.db2.gz CYFNBTFTTJPLAO-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001281169742 804113878 /nfs/dbraw/zinc/11/38/78/804113878.db2.gz YKIXGCIELXESNH-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001281462044 804177528 /nfs/dbraw/zinc/17/75/28/804177528.db2.gz MOSJQKFGEHZHID-GXTWGEPZSA-N 2 1 319.409 -0.070 20 30 DBEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281603243 804194616 /nfs/dbraw/zinc/19/46/16/804194616.db2.gz HUCOCQMEUGCVCP-CQSZACIVSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281603243 804194619 /nfs/dbraw/zinc/19/46/19/804194619.db2.gz HUCOCQMEUGCVCP-CQSZACIVSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964163 804238124 /nfs/dbraw/zinc/23/81/24/804238124.db2.gz CCJZQPPVDGFQBU-KBPBESRZSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964163 804238131 /nfs/dbraw/zinc/23/81/31/804238131.db2.gz CCJZQPPVDGFQBU-KBPBESRZSA-N 2 1 323.441 -0.111 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001282083975 804253699 /nfs/dbraw/zinc/25/36/99/804253699.db2.gz LFTTVSFXFVNKPE-WLYUNCDWSA-N 2 1 322.453 -0.051 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282739275 804309201 /nfs/dbraw/zinc/30/92/01/804309201.db2.gz TUHKZLBSIALOIJ-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001282739275 804309211 /nfs/dbraw/zinc/30/92/11/804309211.db2.gz TUHKZLBSIALOIJ-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284578505 804741674 /nfs/dbraw/zinc/74/16/74/804741674.db2.gz RIDKILBLAKUWAZ-KGLIPLIRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC001284578508 804742024 /nfs/dbraw/zinc/74/20/24/804742024.db2.gz RIDKILBLAKUWAZ-UONOGXRCSA-N 2 1 322.453 -0.050 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)C1 ZINC001284819260 804773908 /nfs/dbraw/zinc/77/39/08/804773908.db2.gz XNTRTLVVEGDBTR-GPANFISMSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)C1 ZINC001284819260 804773913 /nfs/dbraw/zinc/77/39/13/804773913.db2.gz XNTRTLVVEGDBTR-GPANFISMSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001285720729 804952243 /nfs/dbraw/zinc/95/22/43/804952243.db2.gz DROUPHIZPFKRRF-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001285720729 804952248 /nfs/dbraw/zinc/95/22/48/804952248.db2.gz DROUPHIZPFKRRF-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884213952 807041386 /nfs/dbraw/zinc/04/13/86/807041386.db2.gz QDMVVCQXAIMYHE-IQXANGCESA-N 2 1 306.410 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001287708847 805104879 /nfs/dbraw/zinc/10/48/79/805104879.db2.gz SZNISCZRMGJVSZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CN(C)C(=O)CC[NH+](C)C ZINC001287708847 805104881 /nfs/dbraw/zinc/10/48/81/805104881.db2.gz SZNISCZRMGJVSZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325160741 807043152 /nfs/dbraw/zinc/04/31/52/807043152.db2.gz LAJORFYXIMQUQP-MRXNPFEDSA-N 2 1 309.410 -0.715 20 30 DBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001325161422 807043923 /nfs/dbraw/zinc/04/39/23/807043923.db2.gz OCHLSBNYLKPWPH-HOCLYGCPSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001326989339 807229256 /nfs/dbraw/zinc/22/92/56/807229256.db2.gz IHJWAWWOPHUKQE-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOC)C1 ZINC001326989339 807229258 /nfs/dbraw/zinc/22/92/58/807229258.db2.gz IHJWAWWOPHUKQE-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001326989340 807229403 /nfs/dbraw/zinc/22/94/03/807229403.db2.gz IHJWAWWOPHUKQE-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOC)C1 ZINC001326989340 807229409 /nfs/dbraw/zinc/22/94/09/807229409.db2.gz IHJWAWWOPHUKQE-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001327163577 807244897 /nfs/dbraw/zinc/24/48/97/807244897.db2.gz OXVXZHVNKOYYJN-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001327163577 807244901 /nfs/dbraw/zinc/24/49/01/807244901.db2.gz OXVXZHVNKOYYJN-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001327163577 807244906 /nfs/dbraw/zinc/24/49/06/807244906.db2.gz OXVXZHVNKOYYJN-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001327163577 807244912 /nfs/dbraw/zinc/24/49/12/807244912.db2.gz OXVXZHVNKOYYJN-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001327606206 807311195 /nfs/dbraw/zinc/31/11/95/807311195.db2.gz BMYSRJFDYUGHQX-GOEBONIOSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001327606206 807311204 /nfs/dbraw/zinc/31/12/04/807311204.db2.gz BMYSRJFDYUGHQX-GOEBONIOSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001327944971 807360463 /nfs/dbraw/zinc/36/04/63/807360463.db2.gz TUIGAPBOIILCPJ-OCCSQVGLSA-N 2 1 317.393 -0.623 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001328172935 807388511 /nfs/dbraw/zinc/38/85/11/807388511.db2.gz XXEYIUOIPLLKBK-AWEZNQCLSA-N 2 1 311.401 -0.003 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+]CCF)CC1 ZINC001328172935 807388517 /nfs/dbraw/zinc/38/85/17/807388517.db2.gz XXEYIUOIPLLKBK-AWEZNQCLSA-N 2 1 311.401 -0.003 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734071 807404702 /nfs/dbraw/zinc/40/47/02/807404702.db2.gz UQBXFKSXMKHTQA-DOTOQJQBSA-N 2 1 322.453 -0.325 20 30 DBEDMP C[C@@H](CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2)[NH2+]CC(=O)NCC#N ZINC001328447926 807427755 /nfs/dbraw/zinc/42/77/55/807427755.db2.gz YGFJNYYJVDLZMP-BBRMVZONSA-N 2 1 321.425 -0.404 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001329051159 807511506 /nfs/dbraw/zinc/51/15/06/807511506.db2.gz WZBZSTYJSCQZRO-RYUDHWBXSA-N 2 1 305.382 -0.426 20 30 DBEDMP CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC001329279577 807546658 /nfs/dbraw/zinc/54/66/58/807546658.db2.gz YLAMQVHDGMQHFQ-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575577 807680592 /nfs/dbraw/zinc/68/05/92/807680592.db2.gz JAMOZPZPMDEVLM-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575577 807680600 /nfs/dbraw/zinc/68/06/00/807680600.db2.gz JAMOZPZPMDEVLM-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001332011128 807860832 /nfs/dbraw/zinc/86/08/32/807860832.db2.gz ZEQFNZXHYDXTRW-JSGCOSHPSA-N 2 1 317.393 -0.480 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001332051682 807867380 /nfs/dbraw/zinc/86/73/80/807867380.db2.gz UCIFQOSHDUAAAS-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332361024 807904851 /nfs/dbraw/zinc/90/48/51/807904851.db2.gz KHCVYFFPPBBTKA-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001332676823 807965586 /nfs/dbraw/zinc/96/55/86/807965586.db2.gz FHZOEAKLJVVTHI-LSDHHAIUSA-N 2 1 313.442 -0.108 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)CC1 ZINC000948069299 808255321 /nfs/dbraw/zinc/25/53/21/808255321.db2.gz FNJGKBLDIKGLDP-UKRRQHHQSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)CC1 ZINC000948069299 808255327 /nfs/dbraw/zinc/25/53/27/808255327.db2.gz FNJGKBLDIKGLDP-UKRRQHHQSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958076363 809760507 /nfs/dbraw/zinc/76/05/07/809760507.db2.gz DVJSNQSIWVQUCV-UKRRQHHQSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCOC)C[C@@H]2O)CC1 ZINC000958724364 810013072 /nfs/dbraw/zinc/01/30/72/810013072.db2.gz OCYYJYSRJHNQBW-HOTGVXAUSA-N 2 1 323.437 -0.613 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)CC1 ZINC000958724363 810013520 /nfs/dbraw/zinc/01/35/20/810013520.db2.gz OCYYJYSRJHNQBW-CVEARBPZSA-N 2 1 323.437 -0.613 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC000958724872 810013572 /nfs/dbraw/zinc/01/35/72/810013572.db2.gz USICKYGSEDQUAZ-HOTGVXAUSA-N 2 1 323.437 -0.877 20 30 DBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046083000 816755070 /nfs/dbraw/zinc/75/50/70/816755070.db2.gz ZVVFPNPXDBPOGK-HOTGVXAUSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083000 816755076 /nfs/dbraw/zinc/75/50/76/816755076.db2.gz ZVVFPNPXDBPOGK-HOTGVXAUSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083000 816755081 /nfs/dbraw/zinc/75/50/81/816755081.db2.gz ZVVFPNPXDBPOGK-HOTGVXAUSA-N 2 1 304.438 -0.210 20 30 DBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384253 817101078 /nfs/dbraw/zinc/10/10/78/817101078.db2.gz ORPAMVLRXWDPDF-GJZGRUSLSA-N 2 1 321.425 -0.252 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001047384253 817101084 /nfs/dbraw/zinc/10/10/84/817101084.db2.gz ORPAMVLRXWDPDF-GJZGRUSLSA-N 2 1 321.425 -0.252 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2O)CC1 ZINC001047638102 817247278 /nfs/dbraw/zinc/24/72/78/817247278.db2.gz BOUKMGBBILWURH-KBMXLJTQSA-N 2 1 323.437 -0.784 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070076143 820389583 /nfs/dbraw/zinc/38/95/83/820389583.db2.gz JGBYMVMPNAIFCH-KGLIPLIRSA-N 2 1 316.409 -0.099 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](n2ccnn2)C1 ZINC001070076143 820389588 /nfs/dbraw/zinc/38/95/88/820389588.db2.gz JGBYMVMPNAIFCH-KGLIPLIRSA-N 2 1 316.409 -0.099 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219644 820427612 /nfs/dbraw/zinc/42/76/12/820427612.db2.gz BDODUZJYVNHOPM-ILXRZTDVSA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070219645 820427632 /nfs/dbraw/zinc/42/76/32/820427632.db2.gz BDODUZJYVNHOPM-KFWWJZLASA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327144 820444943 /nfs/dbraw/zinc/44/49/43/820444943.db2.gz UQLWISPWTFDIGN-MJBXVCDLSA-N 2 1 302.382 -0.796 20 30 DBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001071020403 820609917 /nfs/dbraw/zinc/60/99/17/820609917.db2.gz APVYAMJKQHZIIW-HNNXBMFYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001071020403 820609921 /nfs/dbraw/zinc/60/99/21/820609921.db2.gz APVYAMJKQHZIIW-HNNXBMFYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020403 820609925 /nfs/dbraw/zinc/60/99/25/820609925.db2.gz APVYAMJKQHZIIW-HNNXBMFYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001071020403 820609927 /nfs/dbraw/zinc/60/99/27/820609927.db2.gz APVYAMJKQHZIIW-HNNXBMFYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896633 821266374 /nfs/dbraw/zinc/26/63/74/821266374.db2.gz WPPAEXNVHBUGDD-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896633 821266382 /nfs/dbraw/zinc/26/63/82/821266382.db2.gz WPPAEXNVHBUGDD-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896633 821266389 /nfs/dbraw/zinc/26/63/89/821266389.db2.gz WPPAEXNVHBUGDD-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896633 821266397 /nfs/dbraw/zinc/26/63/97/821266397.db2.gz WPPAEXNVHBUGDD-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896631 821266750 /nfs/dbraw/zinc/26/67/50/821266750.db2.gz WPPAEXNVHBUGDD-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896631 821266758 /nfs/dbraw/zinc/26/67/58/821266758.db2.gz WPPAEXNVHBUGDD-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896631 821266766 /nfs/dbraw/zinc/26/67/66/821266766.db2.gz WPPAEXNVHBUGDD-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896631 821266774 /nfs/dbraw/zinc/26/67/74/821266774.db2.gz WPPAEXNVHBUGDD-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001077220826 822034415 /nfs/dbraw/zinc/03/44/15/822034415.db2.gz VRHMYYDBOALFCC-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001077220826 822034420 /nfs/dbraw/zinc/03/44/20/822034420.db2.gz VRHMYYDBOALFCC-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220826 822034423 /nfs/dbraw/zinc/03/44/23/822034423.db2.gz VRHMYYDBOALFCC-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001077220826 822034428 /nfs/dbraw/zinc/03/44/28/822034428.db2.gz VRHMYYDBOALFCC-KBUPBQIOSA-N 2 1 311.426 -0.167 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@H]2O)CC1 ZINC001078228152 823746922 /nfs/dbraw/zinc/74/69/22/823746922.db2.gz FRCPOYDKLVESFX-HUUCEWRRSA-N 2 1 311.401 -0.148 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083470181 824640884 /nfs/dbraw/zinc/64/08/84/824640884.db2.gz CZWGYNHLZIWRTB-CABCVRRESA-N 2 1 319.409 -0.757 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114465660 828698428 /nfs/dbraw/zinc/69/84/28/828698428.db2.gz IXXOUUATEKIWTF-KNCOVGOOSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001114465660 828698429 /nfs/dbraw/zinc/69/84/29/828698429.db2.gz IXXOUUATEKIWTF-KNCOVGOOSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465660 828698431 /nfs/dbraw/zinc/69/84/31/828698431.db2.gz IXXOUUATEKIWTF-KNCOVGOOSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114465660 828698435 /nfs/dbraw/zinc/69/84/35/828698435.db2.gz IXXOUUATEKIWTF-KNCOVGOOSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078171 824883255 /nfs/dbraw/zinc/88/32/55/824883255.db2.gz PBCFUDJYEYZOER-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078171 824883258 /nfs/dbraw/zinc/88/32/58/824883258.db2.gz PBCFUDJYEYZOER-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078171 824883267 /nfs/dbraw/zinc/88/32/67/824883267.db2.gz PBCFUDJYEYZOER-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078171 824883273 /nfs/dbraw/zinc/88/32/73/824883273.db2.gz PBCFUDJYEYZOER-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@@H]2O)CC1 ZINC001084089935 824888553 /nfs/dbraw/zinc/88/85/53/824888553.db2.gz BDVAHSHAFHTKQJ-CVEARBPZSA-N 2 1 305.422 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745671 828735753 /nfs/dbraw/zinc/73/57/53/828735753.db2.gz DCIGIANESZTIIL-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144374 828792759 /nfs/dbraw/zinc/79/27/59/828792759.db2.gz VZEAEJQFGIQSKW-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCC[NH+](C)C ZINC001115144374 828792763 /nfs/dbraw/zinc/79/27/63/828792763.db2.gz VZEAEJQFGIQSKW-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](O)C1 ZINC001090830220 825862477 /nfs/dbraw/zinc/86/24/77/825862477.db2.gz JOSOAJCGZITINQ-DLBZAZTESA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091151373 825925703 /nfs/dbraw/zinc/92/57/03/825925703.db2.gz VHLNUKQIBSTLBN-UZZMVUAXSA-N 2 1 303.406 -0.033 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161226605 832992180 /nfs/dbraw/zinc/99/21/80/832992180.db2.gz KUICXRWPYXOCFE-ZDUSSCGKSA-N 2 1 310.442 -0.050 20 30 DBEDMP COCC#CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001274014011 833005502 /nfs/dbraw/zinc/00/55/02/833005502.db2.gz CAPYGDVPEMYTIU-OAHLLOKOSA-N 2 1 323.437 -0.157 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161649816 833044580 /nfs/dbraw/zinc/04/45/80/833044580.db2.gz XPKDWLNWIWXACF-CQSZACIVSA-N 2 1 323.441 -0.158 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001274367796 833069601 /nfs/dbraw/zinc/06/96/01/833069601.db2.gz GRLQQUMXPPKDIP-JGUVHBTRSA-N 2 1 320.437 -0.272 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274398234 833071709 /nfs/dbraw/zinc/07/17/09/833071709.db2.gz GWOOESMDNFMCEY-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971977 826752585 /nfs/dbraw/zinc/75/25/85/826752585.db2.gz PBMGNSMPUNWUFX-HUUCEWRRSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971977 826752591 /nfs/dbraw/zinc/75/25/91/826752591.db2.gz PBMGNSMPUNWUFX-HUUCEWRRSA-N 2 1 323.437 -0.471 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100063703 826809798 /nfs/dbraw/zinc/80/97/98/826809798.db2.gz BOTWKBUUHYEWGO-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100063703 826809812 /nfs/dbraw/zinc/80/98/12/826809812.db2.gz BOTWKBUUHYEWGO-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100063703 826809824 /nfs/dbraw/zinc/80/98/24/826809824.db2.gz BOTWKBUUHYEWGO-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100063703 826809837 /nfs/dbraw/zinc/80/98/37/826809837.db2.gz BOTWKBUUHYEWGO-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100063704 826810625 /nfs/dbraw/zinc/81/06/25/826810625.db2.gz BOTWKBUUHYEWGO-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100063704 826810636 /nfs/dbraw/zinc/81/06/36/826810636.db2.gz BOTWKBUUHYEWGO-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100063704 826810647 /nfs/dbraw/zinc/81/06/47/826810647.db2.gz BOTWKBUUHYEWGO-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100063704 826810659 /nfs/dbraw/zinc/81/06/59/826810659.db2.gz BOTWKBUUHYEWGO-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100082903 826839153 /nfs/dbraw/zinc/83/91/53/826839153.db2.gz JUCQZRPERLFINQ-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100082903 826839160 /nfs/dbraw/zinc/83/91/60/826839160.db2.gz JUCQZRPERLFINQ-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100082903 826839174 /nfs/dbraw/zinc/83/91/74/826839174.db2.gz JUCQZRPERLFINQ-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100082903 826839185 /nfs/dbraw/zinc/83/91/85/826839185.db2.gz JUCQZRPERLFINQ-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100186040 826905624 /nfs/dbraw/zinc/90/56/24/826905624.db2.gz XJBLYCQTCKVRBH-WXRRBKDZSA-N 2 1 307.398 -0.795 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872422 833122010 /nfs/dbraw/zinc/12/20/10/833122010.db2.gz RDJGKKKEWLPMSZ-ISXOHVOVSA-N 2 1 321.421 -0.405 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100447200 826966927 /nfs/dbraw/zinc/96/69/27/826966927.db2.gz SEBVZFCLAWXZKR-RUXDESIVSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100901945 827042202 /nfs/dbraw/zinc/04/22/02/827042202.db2.gz WSKBHBVDPPXMSC-UHFFFAOYSA-N 2 1 308.426 -0.438 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001101819447 827152428 /nfs/dbraw/zinc/15/24/28/827152428.db2.gz IIANUYZQAMICMS-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001101819447 827152430 /nfs/dbraw/zinc/15/24/30/827152430.db2.gz IIANUYZQAMICMS-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001101819447 827152432 /nfs/dbraw/zinc/15/24/32/827152432.db2.gz IIANUYZQAMICMS-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)CC[N@H+](C)CC)[C@H](C)C1 ZINC001102496186 827214510 /nfs/dbraw/zinc/21/45/10/827214510.db2.gz IJDUBJJTCWOXGO-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496186 827214514 /nfs/dbraw/zinc/21/45/14/827214514.db2.gz IJDUBJJTCWOXGO-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)CC)[C@H](C)C1 ZINC001102496186 827214518 /nfs/dbraw/zinc/21/45/18/827214518.db2.gz IJDUBJJTCWOXGO-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001102578239 827227181 /nfs/dbraw/zinc/22/71/81/827227181.db2.gz RJZUPUPXGGDZQT-MGPQQGTHSA-N 2 1 321.425 -0.738 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001102578239 827227187 /nfs/dbraw/zinc/22/71/87/827227187.db2.gz RJZUPUPXGGDZQT-MGPQQGTHSA-N 2 1 321.425 -0.738 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001102578239 827227196 /nfs/dbraw/zinc/22/71/96/827227196.db2.gz RJZUPUPXGGDZQT-MGPQQGTHSA-N 2 1 321.425 -0.738 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102601198 827230895 /nfs/dbraw/zinc/23/08/95/827230895.db2.gz QFDRZYVGXGWDOK-ZIAGYGMSSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102601198 827230901 /nfs/dbraw/zinc/23/09/01/827230901.db2.gz QFDRZYVGXGWDOK-ZIAGYGMSSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102601198 827230906 /nfs/dbraw/zinc/23/09/06/827230906.db2.gz QFDRZYVGXGWDOK-ZIAGYGMSSA-N 2 1 323.441 -0.350 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001103397023 827284582 /nfs/dbraw/zinc/28/45/82/827284582.db2.gz VHGJOWSELAFTRR-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C[C@@H](CN(C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275630541 833196279 /nfs/dbraw/zinc/19/62/79/833196279.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275630541 833196281 /nfs/dbraw/zinc/19/62/81/833196281.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275630541 833196283 /nfs/dbraw/zinc/19/62/83/833196283.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275630541 833196284 /nfs/dbraw/zinc/19/62/84/833196284.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275630541 833196286 /nfs/dbraw/zinc/19/62/86/833196286.db2.gz VEAYPBWWNCKDJN-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(=O)N(C)C)CC1 ZINC001275727872 833204406 /nfs/dbraw/zinc/20/44/06/833204406.db2.gz ADPKPAUJDNYPMW-CQSZACIVSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC001275727872 833204408 /nfs/dbraw/zinc/20/44/08/833204408.db2.gz ADPKPAUJDNYPMW-CQSZACIVSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164574409 833221299 /nfs/dbraw/zinc/22/12/99/833221299.db2.gz KNGOJOYBGRMUEN-KBPBESRZSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001276012780 833235004 /nfs/dbraw/zinc/23/50/04/833235004.db2.gz SWRXTTQTEPDTJQ-HIFRSBDPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166736546 833279896 /nfs/dbraw/zinc/27/98/96/833279896.db2.gz NMHDIFNTTNEFOL-CQSZACIVSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030387 833315865 /nfs/dbraw/zinc/31/58/65/833315865.db2.gz NVHZCMTVHCTIBJ-LSDHHAIUSA-N 2 1 320.437 -0.151 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001168320646 833322707 /nfs/dbraw/zinc/32/27/07/833322707.db2.gz IFULOEWPCODUQU-UHFFFAOYSA-N 2 1 323.441 -0.158 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125227764 829849160 /nfs/dbraw/zinc/84/91/60/829849160.db2.gz YUYHOLBLOQJWDX-CQSZACIVSA-N 2 1 324.425 -0.777 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125227764 829849164 /nfs/dbraw/zinc/84/91/64/829849164.db2.gz YUYHOLBLOQJWDX-CQSZACIVSA-N 2 1 324.425 -0.777 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256645 829995922 /nfs/dbraw/zinc/99/59/22/829995922.db2.gz QGQOSMTUIISXFX-STQMWFEESA-N 2 1 307.398 -0.794 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC001127679067 830023622 /nfs/dbraw/zinc/02/36/22/830023622.db2.gz GWEMQYDVMUSYLE-CYBMUJFWSA-N 2 1 319.409 -0.148 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328392 830171968 /nfs/dbraw/zinc/17/19/68/830171968.db2.gz PDIGAKAPTYFOJY-GJZGRUSLSA-N 2 1 322.453 -0.192 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129385375 830176800 /nfs/dbraw/zinc/17/68/00/830176800.db2.gz DLVAJLAQAKUVOP-CQSZACIVSA-N 2 1 307.398 -0.831 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129416137 830179834 /nfs/dbraw/zinc/17/98/34/830179834.db2.gz DTLGWLZABMTODM-GFCCVEGCSA-N 2 1 305.382 -0.232 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686097 830201796 /nfs/dbraw/zinc/20/17/96/830201796.db2.gz WSAQCTSYUDFEEU-KFWWJZLASA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC001129770358 830207857 /nfs/dbraw/zinc/20/78/57/830207857.db2.gz DTLIDZFJDBSDNR-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC001129770358 830207864 /nfs/dbraw/zinc/20/78/64/830207864.db2.gz DTLIDZFJDBSDNR-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001129770816 830208030 /nfs/dbraw/zinc/20/80/30/830208030.db2.gz LIRGIKCUQPBLDO-HOTGVXAUSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@@H]1CCCO1 ZINC001129770816 830208035 /nfs/dbraw/zinc/20/80/35/830208035.db2.gz LIRGIKCUQPBLDO-HOTGVXAUSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001129775757 830209982 /nfs/dbraw/zinc/20/99/82/830209982.db2.gz TUHILGYWNGJTIR-AWEZNQCLSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CC1 ZINC001129775757 830209989 /nfs/dbraw/zinc/20/99/89/830209989.db2.gz TUHILGYWNGJTIR-AWEZNQCLSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC=C ZINC001129790733 830211579 /nfs/dbraw/zinc/21/15/79/830211579.db2.gz HBFXRAGZVRYPNO-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC=C ZINC001129790733 830211586 /nfs/dbraw/zinc/21/15/86/830211586.db2.gz HBFXRAGZVRYPNO-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001129790559 830211670 /nfs/dbraw/zinc/21/16/70/830211670.db2.gz ASMZGTCUGSZPTQ-GJZGRUSLSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCN(C(C)C)C1=O ZINC001129790559 830211673 /nfs/dbraw/zinc/21/16/73/830211673.db2.gz ASMZGTCUGSZPTQ-GJZGRUSLSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130096865 830262764 /nfs/dbraw/zinc/26/27/64/830262764.db2.gz VSRQBTJBNBTAFP-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130710803 830368008 /nfs/dbraw/zinc/36/80/08/830368008.db2.gz FOJWWDVWZCOIBU-ZDUSSCGKSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380891 830466993 /nfs/dbraw/zinc/46/69/93/830466993.db2.gz BQPDIOWXYRWBBQ-UHFFFAOYSA-N 2 1 308.426 -0.388 20 30 DBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001131380891 830466996 /nfs/dbraw/zinc/46/69/96/830466996.db2.gz BQPDIOWXYRWBBQ-UHFFFAOYSA-N 2 1 308.426 -0.388 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001133831262 830833016 /nfs/dbraw/zinc/83/30/16/830833016.db2.gz MPPWICUHGMDLPX-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001133845464 830837103 /nfs/dbraw/zinc/83/71/03/830837103.db2.gz GNOKGJFKYBFBKT-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001134763462 830975901 /nfs/dbraw/zinc/97/59/01/830975901.db2.gz ZPKGCARNCFCFDQ-AWEZNQCLSA-N 2 1 308.426 -0.296 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341420 831054565 /nfs/dbraw/zinc/05/45/65/831054565.db2.gz VSJHQMBOFBADNW-ZDUSSCGKSA-N 2 1 312.414 -0.895 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCCCCC ZINC001135437440 831071125 /nfs/dbraw/zinc/07/11/25/831071125.db2.gz TWBXEVLPFFRBMF-UHFFFAOYSA-N 2 1 310.442 -0.046 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183648031 833725850 /nfs/dbraw/zinc/72/58/50/833725850.db2.gz MSVHUDUHDMDDSZ-CHWSQXEVSA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976945 831143742 /nfs/dbraw/zinc/14/37/42/831143742.db2.gz OLPLJALQKQHHLP-ZIAGYGMSSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147212083 831349592 /nfs/dbraw/zinc/34/95/92/831349592.db2.gz MQMORDBNQPQJDG-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212083 831349596 /nfs/dbraw/zinc/34/95/96/831349596.db2.gz MQMORDBNQPQJDG-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212083 831349602 /nfs/dbraw/zinc/34/96/02/831349602.db2.gz MQMORDBNQPQJDG-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212083 831349606 /nfs/dbraw/zinc/34/96/06/831349606.db2.gz MQMORDBNQPQJDG-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001276700117 833450909 /nfs/dbraw/zinc/45/09/09/833450909.db2.gz HPEVFYRRAVNADM-APIJFGDWSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276700117 833450914 /nfs/dbraw/zinc/45/09/14/833450914.db2.gz HPEVFYRRAVNADM-APIJFGDWSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001276700117 833450919 /nfs/dbraw/zinc/45/09/19/833450919.db2.gz HPEVFYRRAVNADM-APIJFGDWSA-N 2 1 318.421 -0.876 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210736 831436756 /nfs/dbraw/zinc/43/67/56/831436756.db2.gz UBQFJLJECYWHIX-UHFFFAOYSA-N 2 1 308.426 -0.225 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210736 831436761 /nfs/dbraw/zinc/43/67/61/831436761.db2.gz UBQFJLJECYWHIX-UHFFFAOYSA-N 2 1 308.426 -0.225 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148210149 831437158 /nfs/dbraw/zinc/43/71/58/831437158.db2.gz GUIIXCXBGASTFZ-UHFFFAOYSA-N 2 1 307.398 -0.888 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148210149 831437162 /nfs/dbraw/zinc/43/71/62/831437162.db2.gz GUIIXCXBGASTFZ-UHFFFAOYSA-N 2 1 307.398 -0.888 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748852 831472228 /nfs/dbraw/zinc/47/22/28/831472228.db2.gz ZCSCDVVHOGEWOK-AWEZNQCLSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748852 831472232 /nfs/dbraw/zinc/47/22/32/831472232.db2.gz ZCSCDVVHOGEWOK-AWEZNQCLSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748852 831472236 /nfs/dbraw/zinc/47/22/36/831472236.db2.gz ZCSCDVVHOGEWOK-AWEZNQCLSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148748852 831472237 /nfs/dbraw/zinc/47/22/37/831472237.db2.gz ZCSCDVVHOGEWOK-AWEZNQCLSA-N 2 1 320.437 -0.225 20 30 DBEDMP N#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755328 831473005 /nfs/dbraw/zinc/47/30/05/831473005.db2.gz VDZSYZPGLQGQKS-UHFFFAOYSA-N 2 1 319.409 -0.744 20 30 DBEDMP N#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755328 831473010 /nfs/dbraw/zinc/47/30/10/831473010.db2.gz VDZSYZPGLQGQKS-UHFFFAOYSA-N 2 1 319.409 -0.744 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400278 831529134 /nfs/dbraw/zinc/52/91/34/831529134.db2.gz VOJUKBMLSJRISW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149400278 831529136 /nfs/dbraw/zinc/52/91/36/831529136.db2.gz VOJUKBMLSJRISW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149400278 831529137 /nfs/dbraw/zinc/52/91/37/831529137.db2.gz VOJUKBMLSJRISW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149400278 831529140 /nfs/dbraw/zinc/52/91/40/831529140.db2.gz VOJUKBMLSJRISW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699478 831639850 /nfs/dbraw/zinc/63/98/50/831639850.db2.gz JAPDQDXWKSWLMB-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699478 831639851 /nfs/dbraw/zinc/63/98/51/831639851.db2.gz JAPDQDXWKSWLMB-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150699478 831639852 /nfs/dbraw/zinc/63/98/52/831639852.db2.gz JAPDQDXWKSWLMB-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150699478 831639854 /nfs/dbraw/zinc/63/98/54/831639854.db2.gz JAPDQDXWKSWLMB-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001151115367 831665665 /nfs/dbraw/zinc/66/56/65/831665665.db2.gz WLYHZWQSBYPQJU-CYBMUJFWSA-N 2 1 305.382 -0.316 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cn(CC)nn2)CC1 ZINC001152330227 831741444 /nfs/dbraw/zinc/74/14/44/831741444.db2.gz JKZWGEQFFLBQDK-UHFFFAOYSA-N 2 1 318.425 -0.151 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC001152530178 831760348 /nfs/dbraw/zinc/76/03/48/831760348.db2.gz USUNHASSFAWQBI-INIZCTEOSA-N 2 1 316.405 -0.256 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@@H+](C)Cc1ccccc1 ZINC001153320801 831802606 /nfs/dbraw/zinc/80/26/06/831802606.db2.gz RGODOBQBMXMDEY-UHFFFAOYSA-N 2 1 316.405 -0.426 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[N@H+](C)Cc1ccccc1 ZINC001153320801 831802610 /nfs/dbraw/zinc/80/26/10/831802610.db2.gz RGODOBQBMXMDEY-UHFFFAOYSA-N 2 1 316.405 -0.426 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824572 831838048 /nfs/dbraw/zinc/83/80/48/831838048.db2.gz UJBOVMXSHPBMDE-CJNGLKHVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](C1CC1)[NH+](C)C ZINC001153824572 831838055 /nfs/dbraw/zinc/83/80/55/831838055.db2.gz UJBOVMXSHPBMDE-CJNGLKHVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904179 831906136 /nfs/dbraw/zinc/90/61/36/831906136.db2.gz NYTRXFBBBQNMEC-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904179 831906141 /nfs/dbraw/zinc/90/61/41/831906141.db2.gz NYTRXFBBBQNMEC-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024312 831912707 /nfs/dbraw/zinc/91/27/07/831912707.db2.gz WXEMRCSWYCNPGK-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155024312 831912712 /nfs/dbraw/zinc/91/27/12/831912712.db2.gz WXEMRCSWYCNPGK-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125091 831969744 /nfs/dbraw/zinc/96/97/44/831969744.db2.gz HKHQBNPUYFOBLA-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125091 831969746 /nfs/dbraw/zinc/96/97/46/831969746.db2.gz HKHQBNPUYFOBLA-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039266 832085030 /nfs/dbraw/zinc/08/50/30/832085030.db2.gz RWSTZUOQJPCCNY-CABCVRRESA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001185676012 833805808 /nfs/dbraw/zinc/80/58/08/833805808.db2.gz HLSDPXRNAQDIJD-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001270428069 832533155 /nfs/dbraw/zinc/53/31/55/832533155.db2.gz VHKCIAXQWNVDLQ-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001270428069 832533161 /nfs/dbraw/zinc/53/31/61/832533161.db2.gz VHKCIAXQWNVDLQ-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)CN1CC[C@](C)(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001270657657 832562060 /nfs/dbraw/zinc/56/20/60/832562060.db2.gz MQLYVYYAPJPMRQ-INIZCTEOSA-N 2 1 317.393 -0.478 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001271436221 832668021 /nfs/dbraw/zinc/66/80/21/832668021.db2.gz LHUCYEZVOZLRCH-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)CC(=O)NC)CC1 ZINC001277403058 833953808 /nfs/dbraw/zinc/95/38/08/833953808.db2.gz FLNGKFRQSGDVPW-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)CC(=O)NC)CC1 ZINC001277403058 833953810 /nfs/dbraw/zinc/95/38/10/833953810.db2.gz FLNGKFRQSGDVPW-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001277403058 833953812 /nfs/dbraw/zinc/95/38/12/833953812.db2.gz FLNGKFRQSGDVPW-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CC(=O)NC)CC1 ZINC001277403058 833953815 /nfs/dbraw/zinc/95/38/15/833953815.db2.gz FLNGKFRQSGDVPW-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272413448 832783893 /nfs/dbraw/zinc/78/38/93/832783893.db2.gz DASHRRJIHFQBLU-CABCVRRESA-N 2 1 311.426 -0.424 20 30 DBEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001159846723 832852023 /nfs/dbraw/zinc/85/20/23/832852023.db2.gz RZUMLBQQUKMWRG-AWEZNQCLSA-N 2 1 323.441 -0.300 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001160209278 832882584 /nfs/dbraw/zinc/88/25/84/832882584.db2.gz GLCGGXRSFYPURY-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001160209278 832882593 /nfs/dbraw/zinc/88/25/93/832882593.db2.gz GLCGGXRSFYPURY-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCC=C ZINC001160209202 832882881 /nfs/dbraw/zinc/88/28/81/832882881.db2.gz CVDDSNZWGNTGCM-CABCVRRESA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NCC=C ZINC001160209202 832882891 /nfs/dbraw/zinc/88/28/91/832882891.db2.gz CVDDSNZWGNTGCM-CABCVRRESA-N 2 1 320.437 -0.129 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193970 832891667 /nfs/dbraw/zinc/89/16/67/832891667.db2.gz ZYPOBWKIXLPKAC-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193970 832891677 /nfs/dbraw/zinc/89/16/77/832891677.db2.gz ZYPOBWKIXLPKAC-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273275516 832904811 /nfs/dbraw/zinc/90/48/11/832904811.db2.gz CYNUIELMHWSKGP-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCCO)C1 ZINC001273275516 832904815 /nfs/dbraw/zinc/90/48/15/832904815.db2.gz CYNUIELMHWSKGP-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=C[C@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882505 832978934 /nfs/dbraw/zinc/97/89/34/832978934.db2.gz ZQOHYOLUOWOHSI-HOCLYGCPSA-N 2 1 311.426 -0.354 20 30 DBEDMP C=C[C@H](O)C[N@@H+]1CCC[C@@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881707 832979193 /nfs/dbraw/zinc/97/91/93/832979193.db2.gz QBPRCHSYYAFUIU-XJKSGUPXSA-N 2 1 309.410 -0.064 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179303555 833542762 /nfs/dbraw/zinc/54/27/62/833542762.db2.gz HNULUBKAYCGQEM-CBBWQLFWSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)[C@H]1C ZINC001179539300 833550069 /nfs/dbraw/zinc/55/00/69/833550069.db2.gz UUMIPMXBHGBRLH-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001183353914 833714505 /nfs/dbraw/zinc/71/45/05/833714505.db2.gz HADXECPPFAAJKP-CABCVRRESA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001183353914 833714506 /nfs/dbraw/zinc/71/45/06/833714506.db2.gz HADXECPPFAAJKP-CABCVRRESA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001183354074 833714754 /nfs/dbraw/zinc/71/47/54/833714754.db2.gz OQCGCACXYWUWNX-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001183354074 833714758 /nfs/dbraw/zinc/71/47/58/833714758.db2.gz OQCGCACXYWUWNX-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136971 833781324 /nfs/dbraw/zinc/78/13/24/833781324.db2.gz NSMHTPNMTOPPGB-CVEARBPZSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136971 833781328 /nfs/dbraw/zinc/78/13/28/833781328.db2.gz NSMHTPNMTOPPGB-CVEARBPZSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001187298973 833916552 /nfs/dbraw/zinc/91/65/52/833916552.db2.gz UTFAJHSKIGQGIA-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001188138849 833970266 /nfs/dbraw/zinc/97/02/66/833970266.db2.gz FGTSKBZADJDYOQ-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001188158386 833971472 /nfs/dbraw/zinc/97/14/72/833971472.db2.gz MTGIOYMAYKDESQ-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277883560 834000960 /nfs/dbraw/zinc/00/09/60/834000960.db2.gz KJOWIATXTPEZQO-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034814 834040929 /nfs/dbraw/zinc/04/09/29/834040929.db2.gz NZVXNHXOYVTEJI-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189034814 834040938 /nfs/dbraw/zinc/04/09/38/834040938.db2.gz NZVXNHXOYVTEJI-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147837 834142679 /nfs/dbraw/zinc/14/26/79/834142679.db2.gz ACJLSSSQDGIALR-RRFJBIMHSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190147837 834142682 /nfs/dbraw/zinc/14/26/82/834142682.db2.gz ACJLSSSQDGIALR-RRFJBIMHSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147837 834142683 /nfs/dbraw/zinc/14/26/83/834142683.db2.gz ACJLSSSQDGIALR-RRFJBIMHSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147837 834142685 /nfs/dbraw/zinc/14/26/85/834142685.db2.gz ACJLSSSQDGIALR-RRFJBIMHSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655139 834176837 /nfs/dbraw/zinc/17/68/37/834176837.db2.gz NTJPKGATZNLLBP-HOCLYGCPSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001190655139 834176839 /nfs/dbraw/zinc/17/68/39/834176839.db2.gz NTJPKGATZNLLBP-HOCLYGCPSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001191019129 834213566 /nfs/dbraw/zinc/21/35/66/834213566.db2.gz JMPHFIZSUYNRKC-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001191019129 834213571 /nfs/dbraw/zinc/21/35/71/834213571.db2.gz JMPHFIZSUYNRKC-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191019129 834213578 /nfs/dbraw/zinc/21/35/78/834213578.db2.gz JMPHFIZSUYNRKC-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)CC)C1 ZINC001191019129 834213585 /nfs/dbraw/zinc/21/35/85/834213585.db2.gz JMPHFIZSUYNRKC-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342571 834360878 /nfs/dbraw/zinc/36/08/78/834360878.db2.gz HAQJSNBXQVIEKR-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342571 834360887 /nfs/dbraw/zinc/36/08/87/834360887.db2.gz HAQJSNBXQVIEKR-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192342571 834360897 /nfs/dbraw/zinc/36/08/97/834360897.db2.gz HAQJSNBXQVIEKR-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192342571 834360905 /nfs/dbraw/zinc/36/09/05/834360905.db2.gz HAQJSNBXQVIEKR-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353608 834363492 /nfs/dbraw/zinc/36/34/92/834363492.db2.gz FUDRFKWWSBEZNG-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353608 834363499 /nfs/dbraw/zinc/36/34/99/834363499.db2.gz FUDRFKWWSBEZNG-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353608 834363504 /nfs/dbraw/zinc/36/35/04/834363504.db2.gz FUDRFKWWSBEZNG-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353608 834363512 /nfs/dbraw/zinc/36/35/12/834363512.db2.gz FUDRFKWWSBEZNG-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP CCC(=O)On1nc2c(c1NC[C@]1(O)CC[NH2+]C1)C[NH2+]C2(C)C ZINC001245959924 834405379 /nfs/dbraw/zinc/40/53/79/834405379.db2.gz OJXMRKXVKVOBLY-HNNXBMFYSA-N 2 1 323.397 -0.277 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CCS(=O)(=O)C1 ZINC001246305066 834428428 /nfs/dbraw/zinc/42/84/28/834428428.db2.gz GOPXZZQQFRLAMW-RYUDHWBXSA-N 2 1 304.412 -0.010 20 30 DBEDMP CC[NH+](CC)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192958062 834447433 /nfs/dbraw/zinc/44/74/33/834447433.db2.gz DRZJPTBDVBAFHO-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP COC(=O)[C@@]12C[NH2+]C[C@@H]1[C@H]1C[N@H+]([C@@H]3CCN[C@H](C#N)C3)C[C@H]1C2 ZINC001246859651 834458917 /nfs/dbraw/zinc/45/89/17/834458917.db2.gz QGXDPUHCHPGNOF-BMNMPBFRSA-N 2 1 318.421 -0.039 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280246 834480179 /nfs/dbraw/zinc/48/01/79/834480179.db2.gz VJBWZXFKRLATNP-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280246 834480184 /nfs/dbraw/zinc/48/01/84/834480184.db2.gz VJBWZXFKRLATNP-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280246 834480188 /nfs/dbraw/zinc/48/01/88/834480188.db2.gz VJBWZXFKRLATNP-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280252 834481562 /nfs/dbraw/zinc/48/15/62/834481562.db2.gz VJBWZXFKRLATNP-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280252 834481566 /nfs/dbraw/zinc/48/15/66/834481566.db2.gz VJBWZXFKRLATNP-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280252 834481570 /nfs/dbraw/zinc/48/15/70/834481570.db2.gz VJBWZXFKRLATNP-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC001251708620 834503646 /nfs/dbraw/zinc/50/36/46/834503646.db2.gz USQDQBSQAIULLI-MRXNPFEDSA-N 2 1 321.469 -0.027 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001193791196 834533687 /nfs/dbraw/zinc/53/36/87/834533687.db2.gz FLQUBNIRKXNFPY-RBSFLKMASA-N 2 1 311.426 -0.310 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290455 834588017 /nfs/dbraw/zinc/58/80/17/834588017.db2.gz YGIZYVUYQZJDPS-HUUCEWRRSA-N 2 1 302.378 -0.298 20 30 DBEDMP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC001194290455 834588024 /nfs/dbraw/zinc/58/80/24/834588024.db2.gz YGIZYVUYQZJDPS-HUUCEWRRSA-N 2 1 302.378 -0.298 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001197819557 834906934 /nfs/dbraw/zinc/90/69/34/834906934.db2.gz GJAMAMRWMNPOAD-ZIAGYGMSSA-N 2 1 309.410 -0.554 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001263851841 834990924 /nfs/dbraw/zinc/99/09/24/834990924.db2.gz WNVWTILPPIDGAB-XHSDSOJGSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001263851841 834990927 /nfs/dbraw/zinc/99/09/27/834990927.db2.gz WNVWTILPPIDGAB-XHSDSOJGSA-N 2 1 323.437 -0.159 20 30 DBEDMP C[N@@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC(=O)NCC#N ZINC001264986883 835061869 /nfs/dbraw/zinc/06/18/69/835061869.db2.gz ZSMZPMMVOIFPAZ-CQSZACIVSA-N 2 1 321.425 -0.594 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943490 835072853 /nfs/dbraw/zinc/07/28/53/835072853.db2.gz LICHMSLURATUJV-AWEZNQCLSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943490 835072863 /nfs/dbraw/zinc/07/28/63/835072863.db2.gz LICHMSLURATUJV-AWEZNQCLSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265320145 835130660 /nfs/dbraw/zinc/13/06/60/835130660.db2.gz YIRSWOQQGUZFOS-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265320145 835130671 /nfs/dbraw/zinc/13/06/71/835130671.db2.gz YIRSWOQQGUZFOS-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320145 835130675 /nfs/dbraw/zinc/13/06/75/835130675.db2.gz YIRSWOQQGUZFOS-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320145 835130682 /nfs/dbraw/zinc/13/06/82/835130682.db2.gz YIRSWOQQGUZFOS-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265320144 835130923 /nfs/dbraw/zinc/13/09/23/835130923.db2.gz YIRSWOQQGUZFOS-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265320144 835130926 /nfs/dbraw/zinc/13/09/26/835130926.db2.gz YIRSWOQQGUZFOS-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320144 835130928 /nfs/dbraw/zinc/13/09/28/835130928.db2.gz YIRSWOQQGUZFOS-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320144 835130931 /nfs/dbraw/zinc/13/09/31/835130931.db2.gz YIRSWOQQGUZFOS-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360377 835134211 /nfs/dbraw/zinc/13/42/11/835134211.db2.gz KSPUBNPWZOYKRK-KBPBESRZSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001265482989 835146301 /nfs/dbraw/zinc/14/63/01/835146301.db2.gz FSKPHVBZFLMLHN-AJNGGQMLSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001265482989 835146305 /nfs/dbraw/zinc/14/63/05/835146305.db2.gz FSKPHVBZFLMLHN-AJNGGQMLSA-N 2 1 320.437 -0.203 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001265502946 835148173 /nfs/dbraw/zinc/14/81/73/835148173.db2.gz CZRORLINGDVGKJ-IHRRRGAJSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001200721739 835148809 /nfs/dbraw/zinc/14/88/09/835148809.db2.gz OPMATGHXZMVMOX-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCOC)C1 ZINC001200721739 835148812 /nfs/dbraw/zinc/14/88/12/835148812.db2.gz OPMATGHXZMVMOX-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[N@@H+](CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1)C1CCC1 ZINC001201066250 835167025 /nfs/dbraw/zinc/16/70/25/835167025.db2.gz JBPWIQLTZNJCDM-UHFFFAOYSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201266735 835179713 /nfs/dbraw/zinc/17/97/13/835179713.db2.gz FRGPOACBWXDTLQ-CQSZACIVSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265882653 835191932 /nfs/dbraw/zinc/19/19/32/835191932.db2.gz YSDWHMASBFCDAX-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP COCC#CC[N@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001265938861 835203903 /nfs/dbraw/zinc/20/39/03/835203903.db2.gz NXCKNEYERMLCGB-UHFFFAOYSA-N 2 1 311.426 -0.203 20 30 DBEDMP COCC#CC[N@@H+](C)CCCNC(=O)CC[NH+]1CCOCC1 ZINC001265938861 835203909 /nfs/dbraw/zinc/20/39/09/835203909.db2.gz NXCKNEYERMLCGB-UHFFFAOYSA-N 2 1 311.426 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001265938447 835204011 /nfs/dbraw/zinc/20/40/11/835204011.db2.gz WZBQWLJSYDKBBS-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266026848 835219113 /nfs/dbraw/zinc/21/91/13/835219113.db2.gz SXMCJKRXPZRFKP-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266037467 835219967 /nfs/dbraw/zinc/21/99/67/835219967.db2.gz SDRMLNTZJKEEIW-ZIAGYGMSSA-N 2 1 308.426 -0.322 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266041592 835220986 /nfs/dbraw/zinc/22/09/86/835220986.db2.gz YHISPMKMMJEBFZ-ZDUSSCGKSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202115571 835233420 /nfs/dbraw/zinc/23/34/20/835233420.db2.gz JWDOHKPVMMLPES-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202115571 835233425 /nfs/dbraw/zinc/23/34/25/835233425.db2.gz JWDOHKPVMMLPES-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(=O)NCC#N)C1CC1 ZINC001266126376 835233846 /nfs/dbraw/zinc/23/38/46/835233846.db2.gz VTORBMZCVVDXBI-AWEZNQCLSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(=O)NCC#N)C1CC1 ZINC001266126376 835233857 /nfs/dbraw/zinc/23/38/57/835233857.db2.gz VTORBMZCVVDXBI-AWEZNQCLSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(=O)NCC#N)C1CC1 ZINC001266126376 835233865 /nfs/dbraw/zinc/23/38/65/835233865.db2.gz VTORBMZCVVDXBI-AWEZNQCLSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266145810 835236995 /nfs/dbraw/zinc/23/69/95/835236995.db2.gz DJIWKOPYPYGDGR-QLFBSQMISA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001266151268 835238382 /nfs/dbraw/zinc/23/83/82/835238382.db2.gz AGPJJVYHIIDHTQ-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001266151268 835238388 /nfs/dbraw/zinc/23/83/88/835238388.db2.gz AGPJJVYHIIDHTQ-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001266154607 835239778 /nfs/dbraw/zinc/23/97/78/835239778.db2.gz CJQDYCJSSLNCSQ-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001266154602 835240077 /nfs/dbraw/zinc/24/00/77/835240077.db2.gz CJQDYCJSSLNCSQ-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266191884 835245392 /nfs/dbraw/zinc/24/53/92/835245392.db2.gz MAJJAJDXJKOJCQ-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203693239 835304790 /nfs/dbraw/zinc/30/47/90/835304790.db2.gz UUPFWAWPCUWCHJ-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699355 835305579 /nfs/dbraw/zinc/30/55/79/835305579.db2.gz IQHAHSMDJBSETM-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437892 835307984 /nfs/dbraw/zinc/30/79/84/835307984.db2.gz PJVPQMKNFVEPLB-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437892 835307994 /nfs/dbraw/zinc/30/79/94/835307994.db2.gz PJVPQMKNFVEPLB-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266437892 835308005 /nfs/dbraw/zinc/30/80/05/835308005.db2.gz PJVPQMKNFVEPLB-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266437892 835308017 /nfs/dbraw/zinc/30/80/17/835308017.db2.gz PJVPQMKNFVEPLB-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266518121 835327367 /nfs/dbraw/zinc/32/73/67/835327367.db2.gz USWWIOKAWDNWAR-HOCLYGCPSA-N 2 1 322.453 -0.240 20 30 DBEDMP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001266577637 835340850 /nfs/dbraw/zinc/34/08/50/835340850.db2.gz SVOKPLBDGBQFLX-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001266577637 835340856 /nfs/dbraw/zinc/34/08/56/835340856.db2.gz SVOKPLBDGBQFLX-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001266577637 835340862 /nfs/dbraw/zinc/34/08/62/835340862.db2.gz SVOKPLBDGBQFLX-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001266577637 835340870 /nfs/dbraw/zinc/34/08/70/835340870.db2.gz SVOKPLBDGBQFLX-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC001266592722 835342907 /nfs/dbraw/zinc/34/29/07/835342907.db2.gz YZQNEAZCLRMJST-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001266592722 835342914 /nfs/dbraw/zinc/34/29/14/835342914.db2.gz YZQNEAZCLRMJST-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266592722 835342919 /nfs/dbraw/zinc/34/29/19/835342919.db2.gz YZQNEAZCLRMJST-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C1CC1 ZINC001266592722 835342925 /nfs/dbraw/zinc/34/29/25/835342925.db2.gz YZQNEAZCLRMJST-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266778082 835380770 /nfs/dbraw/zinc/38/07/70/835380770.db2.gz HUMJZYHOPIULFN-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266826346 835391399 /nfs/dbraw/zinc/39/13/99/835391399.db2.gz PVXHXWACMSNBPI-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001206953651 835444867 /nfs/dbraw/zinc/44/48/67/835444867.db2.gz XRDOBUJSGZMJBK-UHFFFAOYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267115303 835445173 /nfs/dbraw/zinc/44/51/73/835445173.db2.gz SQZWOJHVQYCPHT-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267115303 835445174 /nfs/dbraw/zinc/44/51/74/835445174.db2.gz SQZWOJHVQYCPHT-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267115303 835445175 /nfs/dbraw/zinc/44/51/75/835445175.db2.gz SQZWOJHVQYCPHT-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267115303 835445176 /nfs/dbraw/zinc/44/51/76/835445176.db2.gz SQZWOJHVQYCPHT-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267282688 835475217 /nfs/dbraw/zinc/47/52/17/835475217.db2.gz RQYBNTOFNQOQSS-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267282688 835475224 /nfs/dbraw/zinc/47/52/24/835475224.db2.gz RQYBNTOFNQOQSS-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282688 835475228 /nfs/dbraw/zinc/47/52/28/835475228.db2.gz RQYBNTOFNQOQSS-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282688 835475232 /nfs/dbraw/zinc/47/52/32/835475232.db2.gz RQYBNTOFNQOQSS-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001267354344 835492197 /nfs/dbraw/zinc/49/21/97/835492197.db2.gz KBOSRZXFMKECIG-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267374856 835497004 /nfs/dbraw/zinc/49/70/04/835497004.db2.gz ORPBMYIGCRFPOB-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267571227 835532023 /nfs/dbraw/zinc/53/20/23/835532023.db2.gz KAMPJIDZSMFSOT-OAHLLOKOSA-N 2 1 320.437 -0.340 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001267570041 835532065 /nfs/dbraw/zinc/53/20/65/835532065.db2.gz HNNMFCJFMNSSFV-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001267766488 835593147 /nfs/dbraw/zinc/59/31/47/835593147.db2.gz JGABCYOXWSNGCK-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001267766488 835593159 /nfs/dbraw/zinc/59/31/59/835593159.db2.gz JGABCYOXWSNGCK-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267766488 835593171 /nfs/dbraw/zinc/59/31/71/835593171.db2.gz JGABCYOXWSNGCK-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267766488 835593182 /nfs/dbraw/zinc/59/31/82/835593182.db2.gz JGABCYOXWSNGCK-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001268066806 835627559 /nfs/dbraw/zinc/62/75/59/835627559.db2.gz CFBBPOWYDWCCPK-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001268066806 835627564 /nfs/dbraw/zinc/62/75/64/835627564.db2.gz CFBBPOWYDWCCPK-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)CC ZINC001268069188 835628456 /nfs/dbraw/zinc/62/84/56/835628456.db2.gz UOKMMAHAQWQKIQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)N(C)CC ZINC001268069188 835628458 /nfs/dbraw/zinc/62/84/58/835628458.db2.gz UOKMMAHAQWQKIQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268100382 835632867 /nfs/dbraw/zinc/63/28/67/835632867.db2.gz MQCBFMOIHCTXLK-LBPRGKRZSA-N 2 1 305.382 -0.623 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268233413 835642331 /nfs/dbraw/zinc/64/23/31/835642331.db2.gz SBGZEDOMDFOFRI-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001268233413 835642334 /nfs/dbraw/zinc/64/23/34/835642334.db2.gz SBGZEDOMDFOFRI-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001268233413 835642338 /nfs/dbraw/zinc/64/23/38/835642338.db2.gz SBGZEDOMDFOFRI-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268233413 835642340 /nfs/dbraw/zinc/64/23/40/835642340.db2.gz SBGZEDOMDFOFRI-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268423173 835689887 /nfs/dbraw/zinc/68/98/87/835689887.db2.gz KDZUSGOPQBCPKV-LBPRGKRZSA-N 2 1 305.382 -0.575 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001268629218 835758853 /nfs/dbraw/zinc/75/88/53/835758853.db2.gz UWICEIGRFNNDQL-MBVDDHJVSA-N 2 1 309.410 -0.381 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001268629218 835758860 /nfs/dbraw/zinc/75/88/60/835758860.db2.gz UWICEIGRFNNDQL-MBVDDHJVSA-N 2 1 309.410 -0.381 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268657832 835769411 /nfs/dbraw/zinc/76/94/11/835769411.db2.gz KGSPEKVGPULPAB-RDBSUJKOSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001268691033 835778480 /nfs/dbraw/zinc/77/84/80/835778480.db2.gz ZGJCMJKPKJGDNO-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)N1CCCC1 ZINC001268691033 835778490 /nfs/dbraw/zinc/77/84/90/835778490.db2.gz ZGJCMJKPKJGDNO-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734593 835791197 /nfs/dbraw/zinc/79/11/97/835791197.db2.gz YAUSZSYVFNBOCL-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734593 835791207 /nfs/dbraw/zinc/79/12/07/835791207.db2.gz YAUSZSYVFNBOCL-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485373017 1013166367 /nfs/dbraw/zinc/16/63/67/1013166367.db2.gz IAJKCJIHWNGKEM-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485373017 1013166373 /nfs/dbraw/zinc/16/63/73/1013166373.db2.gz IAJKCJIHWNGKEM-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373017 1013166376 /nfs/dbraw/zinc/16/63/76/1013166376.db2.gz IAJKCJIHWNGKEM-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373017 1013166379 /nfs/dbraw/zinc/16/63/79/1013166379.db2.gz IAJKCJIHWNGKEM-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373876 1013168134 /nfs/dbraw/zinc/16/81/34/1013168134.db2.gz YFUFITGXOPPTJQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373876 1013168145 /nfs/dbraw/zinc/16/81/45/1013168145.db2.gz YFUFITGXOPPTJQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485373876 1013168156 /nfs/dbraw/zinc/16/81/56/1013168156.db2.gz YFUFITGXOPPTJQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485373876 1013168167 /nfs/dbraw/zinc/16/81/67/1013168167.db2.gz YFUFITGXOPPTJQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485714224 1013334433 /nfs/dbraw/zinc/33/44/33/1013334433.db2.gz CGXKAVVUBGVFKP-QWHCGFSZSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001527802415 1014297720 /nfs/dbraw/zinc/29/77/20/1014297720.db2.gz ACZSUPBUTLTERH-GOEBONIOSA-N 2 1 304.438 -0.021 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643929 978218854 /nfs/dbraw/zinc/21/88/54/978218854.db2.gz SDJZHJJYWONFFV-FMKPAKJESA-N 2 1 322.453 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001207643929 978218866 /nfs/dbraw/zinc/21/88/66/978218866.db2.gz SDJZHJJYWONFFV-FMKPAKJESA-N 2 1 322.453 -0.242 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207737632 978251322 /nfs/dbraw/zinc/25/13/22/978251322.db2.gz ISYHCEDFNISDJS-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207737632 978251335 /nfs/dbraw/zinc/25/13/35/978251335.db2.gz ISYHCEDFNISDJS-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207737635 978252035 /nfs/dbraw/zinc/25/20/35/978252035.db2.gz ISYHCEDFNISDJS-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207737635 978252042 /nfs/dbraw/zinc/25/20/42/978252042.db2.gz ISYHCEDFNISDJS-ZIAGYGMSSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001208341258 978345037 /nfs/dbraw/zinc/34/50/37/978345037.db2.gz XMYFBUZEHROWHA-CQSZACIVSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495991 978379296 /nfs/dbraw/zinc/37/92/96/978379296.db2.gz FWFYMKQVCIJPNQ-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495991 978379310 /nfs/dbraw/zinc/37/93/10/978379310.db2.gz FWFYMKQVCIJPNQ-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699880 978401341 /nfs/dbraw/zinc/40/13/41/978401341.db2.gz YEDJNCRPOYUBTA-MCIONIFRSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001208699880 978401352 /nfs/dbraw/zinc/40/13/52/978401352.db2.gz YEDJNCRPOYUBTA-MCIONIFRSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641343 978470197 /nfs/dbraw/zinc/47/01/97/978470197.db2.gz ISMLRFXCGMQFBW-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330282 978508465 /nfs/dbraw/zinc/50/84/65/978508465.db2.gz UOHPFYDCUFKMHW-ZIAGYGMSSA-N 2 1 318.421 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330282 978508472 /nfs/dbraw/zinc/50/84/72/978508472.db2.gz UOHPFYDCUFKMHW-ZIAGYGMSSA-N 2 1 318.421 -0.732 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026299 978551188 /nfs/dbraw/zinc/55/11/88/978551188.db2.gz YUNGNIMOPWPAMC-HZSPNIEDSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001211026299 978551194 /nfs/dbraw/zinc/55/11/94/978551194.db2.gz YUNGNIMOPWPAMC-HZSPNIEDSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211026299 978551198 /nfs/dbraw/zinc/55/11/98/978551198.db2.gz YUNGNIMOPWPAMC-HZSPNIEDSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001211026299 978551203 /nfs/dbraw/zinc/55/12/03/978551203.db2.gz YUNGNIMOPWPAMC-HZSPNIEDSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211065588 978551694 /nfs/dbraw/zinc/55/16/94/978551694.db2.gz XSHXLKHBAKDRRD-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065516 978552125 /nfs/dbraw/zinc/55/21/25/978552125.db2.gz WCGCUNGKCHSIGQ-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065589 978553554 /nfs/dbraw/zinc/55/35/54/978553554.db2.gz XSHXLKHBAKDRRD-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177536 978558834 /nfs/dbraw/zinc/55/88/34/978558834.db2.gz WZPCGJSMXMJZMQ-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177536 978558845 /nfs/dbraw/zinc/55/88/45/978558845.db2.gz WZPCGJSMXMJZMQ-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177538 978559195 /nfs/dbraw/zinc/55/91/95/978559195.db2.gz WZPCGJSMXMJZMQ-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177538 978559200 /nfs/dbraw/zinc/55/92/00/978559200.db2.gz WZPCGJSMXMJZMQ-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580788 978681153 /nfs/dbraw/zinc/68/11/53/978681153.db2.gz IXLACUCPMZMAIA-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213580788 978681156 /nfs/dbraw/zinc/68/11/56/978681156.db2.gz IXLACUCPMZMAIA-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214343831 978725304 /nfs/dbraw/zinc/72/53/04/978725304.db2.gz HOLFCEGOBZJRTG-MGPQQGTHSA-N 2 1 308.426 -0.181 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214344216 978726591 /nfs/dbraw/zinc/72/65/91/978726591.db2.gz OSEATIYCNWSNRP-UPJWGTAASA-N 2 1 307.398 -0.843 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1C ZINC001215540570 978772122 /nfs/dbraw/zinc/77/21/22/978772122.db2.gz MOHJBJCFHAYZQC-RRFJBIMHSA-N 2 1 320.437 -0.486 20 30 DBEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215536042 978773173 /nfs/dbraw/zinc/77/31/73/978773173.db2.gz FLTOWMOZMGNCBT-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1C ZINC001215535980 978773677 /nfs/dbraw/zinc/77/36/77/978773677.db2.gz BJWYBMQGHICSSE-RBSFLKMASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383951 978785811 /nfs/dbraw/zinc/78/58/11/978785811.db2.gz SZLAKIJVJALLPL-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001488718617 1014528759 /nfs/dbraw/zinc/52/87/59/1014528759.db2.gz XJUJBZWUOAEPRX-MJBXVCDLSA-N 2 1 306.410 -0.686 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656070 978988989 /nfs/dbraw/zinc/98/89/89/978988989.db2.gz JMAHMFCZKNFUNS-TUVASFSCSA-N 2 1 311.426 -0.310 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656070 978988994 /nfs/dbraw/zinc/98/89/94/978988994.db2.gz JMAHMFCZKNFUNS-TUVASFSCSA-N 2 1 311.426 -0.310 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@@H](O)C1 ZINC001219656070 978989003 /nfs/dbraw/zinc/98/90/03/978989003.db2.gz JMAHMFCZKNFUNS-TUVASFSCSA-N 2 1 311.426 -0.310 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488755802 1014548333 /nfs/dbraw/zinc/54/83/33/1014548333.db2.gz YSWYQMHJZHUVOD-BETUJISGSA-N 2 1 318.381 -0.684 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351716 979176712 /nfs/dbraw/zinc/17/67/12/979176712.db2.gz GDRHYQUUJPNTDY-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351716 979176719 /nfs/dbraw/zinc/17/67/19/979176719.db2.gz GDRHYQUUJPNTDY-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351716 979176725 /nfs/dbraw/zinc/17/67/25/979176725.db2.gz GDRHYQUUJPNTDY-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@H]2C)[C@@H](O)C1 ZINC001220351716 979176732 /nfs/dbraw/zinc/17/67/32/979176732.db2.gz GDRHYQUUJPNTDY-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355380 979177363 /nfs/dbraw/zinc/17/73/63/979177363.db2.gz NURTWGWCNYEZRB-ZNMIVQPWSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355380 979177371 /nfs/dbraw/zinc/17/73/71/979177371.db2.gz NURTWGWCNYEZRB-ZNMIVQPWSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355380 979177380 /nfs/dbraw/zinc/17/73/80/979177380.db2.gz NURTWGWCNYEZRB-ZNMIVQPWSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)[C@@H](O)C1 ZINC001220355380 979177387 /nfs/dbraw/zinc/17/73/87/979177387.db2.gz NURTWGWCNYEZRB-ZNMIVQPWSA-N 2 1 311.426 -0.308 20 30 DBEDMP COCC#CCN1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755606 979276813 /nfs/dbraw/zinc/27/68/13/979276813.db2.gz SAVHTXFWNHGLDF-KFWWJZLASA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001331530263 979886133 /nfs/dbraw/zinc/88/61/33/979886133.db2.gz AEVUCEFCMIDFMC-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[C@H](CN(C)C(=O)[C@H](C)Cc1cnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001331584523 979891236 /nfs/dbraw/zinc/89/12/36/979891236.db2.gz LRKBXZPPLSDPLL-VXGBXAGGSA-N 2 1 320.397 -0.335 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001488859236 1014616519 /nfs/dbraw/zinc/61/65/19/1014616519.db2.gz VFXKYXLRADPPFX-RBSFLKMASA-N 2 1 320.437 -0.438 20 30 DBEDMP N#CC[C@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC001345780989 980086326 /nfs/dbraw/zinc/08/63/26/980086326.db2.gz LADDCVUGJNNZAE-HOTGVXAUSA-N 2 1 322.409 -0.296 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC001349170432 980419983 /nfs/dbraw/zinc/41/99/83/980419983.db2.gz RWGFLOZIHPWQAK-CHWSQXEVSA-N 2 1 307.398 -0.570 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001490281768 1014917798 /nfs/dbraw/zinc/91/77/98/1014917798.db2.gz NAGAHVUPIPMYPE-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+]1CCCC[C@@H]1C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001490281768 1014917812 /nfs/dbraw/zinc/91/78/12/1014917812.db2.gz NAGAHVUPIPMYPE-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734466 1015098850 /nfs/dbraw/zinc/09/88/50/1015098850.db2.gz AYPSGESBFDMOEM-ZIAGYGMSSA-N 2 1 308.426 -0.275 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183163 1015276282 /nfs/dbraw/zinc/27/62/82/1015276282.db2.gz AIZYOQCGNBRSKW-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1([NH+](C)C)CCC1 ZINC001491366314 1015374664 /nfs/dbraw/zinc/37/46/64/1015374664.db2.gz CNKHJATXTXWUTA-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1([NH+](C)C)CCC1 ZINC001491366314 1015374677 /nfs/dbraw/zinc/37/46/77/1015374677.db2.gz CNKHJATXTXWUTA-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001491820728 1015638914 /nfs/dbraw/zinc/63/89/14/1015638914.db2.gz ZTSNHSDYFAPPBO-CQSZACIVSA-N 2 1 319.409 -0.068 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001493186777 1015865297 /nfs/dbraw/zinc/86/52/97/1015865297.db2.gz ZQTUWUFFISIXIW-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001493186777 1015865300 /nfs/dbraw/zinc/86/53/00/1015865300.db2.gz ZQTUWUFFISIXIW-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001493186777 1015865301 /nfs/dbraw/zinc/86/53/01/1015865301.db2.gz ZQTUWUFFISIXIW-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001493578593 1015997178 /nfs/dbraw/zinc/99/71/78/1015997178.db2.gz NIJKGNFSXPNOQL-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCNC1=O ZINC001493578593 1015997183 /nfs/dbraw/zinc/99/71/83/1015997183.db2.gz NIJKGNFSXPNOQL-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761644 1016416804 /nfs/dbraw/zinc/41/68/04/1016416804.db2.gz UTEKQDQDNJHJIF-ZNMIVQPWSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761644 1016416811 /nfs/dbraw/zinc/41/68/11/1016416811.db2.gz UTEKQDQDNJHJIF-ZNMIVQPWSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001495107755 1016552704 /nfs/dbraw/zinc/55/27/04/1016552704.db2.gz JYZKALNSSJAYBJ-TZMCWYRMSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495231313 1016588236 /nfs/dbraw/zinc/58/82/36/1016588236.db2.gz DFJBRCSOSXZOQQ-PBHICJAKSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001495521650 1016642413 /nfs/dbraw/zinc/64/24/13/1016642413.db2.gz XRQRBTWABNCPPI-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC(N)=O)CC1 ZINC001495521650 1016642419 /nfs/dbraw/zinc/64/24/19/1016642419.db2.gz XRQRBTWABNCPPI-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001495667056 1016681694 /nfs/dbraw/zinc/68/16/94/1016681694.db2.gz HBUHKACOGXKKCM-HZSPNIEDSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001495684885 1016690281 /nfs/dbraw/zinc/69/02/81/1016690281.db2.gz YBLMYVVSGGNBDA-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC(C)C ZINC001495684885 1016690286 /nfs/dbraw/zinc/69/02/86/1016690286.db2.gz YBLMYVVSGGNBDA-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001495684130 1016690652 /nfs/dbraw/zinc/69/06/52/1016690652.db2.gz TYDCBPOVOMAVHZ-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001495684130 1016690657 /nfs/dbraw/zinc/69/06/57/1016690657.db2.gz TYDCBPOVOMAVHZ-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001496058633 1016828533 /nfs/dbraw/zinc/82/85/33/1016828533.db2.gz VGBFVMOWQXTMMT-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001496058633 1016828535 /nfs/dbraw/zinc/82/85/35/1016828535.db2.gz VGBFVMOWQXTMMT-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001496058633 1016828537 /nfs/dbraw/zinc/82/85/37/1016828537.db2.gz VGBFVMOWQXTMMT-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001496058633 1016828538 /nfs/dbraw/zinc/82/85/38/1016828538.db2.gz VGBFVMOWQXTMMT-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001439062989 1003858190 /nfs/dbraw/zinc/85/81/90/1003858190.db2.gz UMZMPQHHKKFTHU-NWDGAFQWSA-N 2 1 305.806 -0.474 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001439062989 1003858197 /nfs/dbraw/zinc/85/81/97/1003858197.db2.gz UMZMPQHHKKFTHU-NWDGAFQWSA-N 2 1 305.806 -0.474 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001439062984 1003858337 /nfs/dbraw/zinc/85/83/37/1003858337.db2.gz UMZMPQHHKKFTHU-NEPJUHHUSA-N 2 1 305.806 -0.474 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001439062984 1003858341 /nfs/dbraw/zinc/85/83/41/1003858341.db2.gz UMZMPQHHKKFTHU-NEPJUHHUSA-N 2 1 305.806 -0.474 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001479309775 1010243160 /nfs/dbraw/zinc/24/31/60/1010243160.db2.gz QPJYYSCRFXOWHJ-OKILXGFUSA-N 2 1 317.393 -0.575 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479416301 1010282891 /nfs/dbraw/zinc/28/28/91/1010282891.db2.gz YCWPKPUSRZLQKG-XQLPTFJDSA-N 2 1 320.437 -0.440 20 30 DBEDMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001479815797 1010401911 /nfs/dbraw/zinc/40/19/11/1010401911.db2.gz NGRXQFCHOQYWHT-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480765204 1010756253 /nfs/dbraw/zinc/75/62/53/1010756253.db2.gz BBGZNRPTZSTPJC-MGPQQGTHSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774318 1010996324 /nfs/dbraw/zinc/99/63/24/1010996324.db2.gz JLGAMKOZWPNZTQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774318 1010996328 /nfs/dbraw/zinc/99/63/28/1010996328.db2.gz JLGAMKOZWPNZTQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001482167484 1011072114 /nfs/dbraw/zinc/07/21/14/1011072114.db2.gz FDNHRQFBDLOXFP-STQMWFEESA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001482696625 1011268308 /nfs/dbraw/zinc/26/83/08/1011268308.db2.gz CXXNSWPQAXFARX-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482790652 1011465347 /nfs/dbraw/zinc/46/53/47/1011465347.db2.gz GXDWPKZWJVXGPK-QWRGUYRKSA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)Cn1c[nH+]cc1C ZINC001483035553 1011628663 /nfs/dbraw/zinc/62/86/63/1011628663.db2.gz CPIOADTXHISBPJ-PLNGDYQASA-N 2 1 303.366 -0.797 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046920 1011639630 /nfs/dbraw/zinc/63/96/30/1011639630.db2.gz JCWPYIDVAQCODY-CNBITHIKSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483136601 1011716942 /nfs/dbraw/zinc/71/69/42/1011716942.db2.gz YRTCKIUGTPDWKZ-MCIONIFRSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001483136601 1011716957 /nfs/dbraw/zinc/71/69/57/1011716957.db2.gz YRTCKIUGTPDWKZ-MCIONIFRSA-N 2 1 306.410 -0.591 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001483916342 1012204799 /nfs/dbraw/zinc/20/47/99/1012204799.db2.gz ODNANSWQBYLSPX-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC)CC1 ZINC001483989300 1012240835 /nfs/dbraw/zinc/24/08/35/1012240835.db2.gz DYDFUJXMXFBCSQ-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NC)CC1 ZINC001483989300 1012240860 /nfs/dbraw/zinc/24/08/60/1012240860.db2.gz DYDFUJXMXFBCSQ-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484124098 1012317770 /nfs/dbraw/zinc/31/77/70/1012317770.db2.gz FCUOSZVXOPXHSS-PBHICJAKSA-N 2 1 320.437 -0.484 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484250177 1012460650 /nfs/dbraw/zinc/46/06/50/1012460650.db2.gz CTZCMMWKNTVSFB-GDBMZVCRSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484250177 1012460662 /nfs/dbraw/zinc/46/06/62/1012460662.db2.gz CTZCMMWKNTVSFB-GDBMZVCRSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484250177 1012460673 /nfs/dbraw/zinc/46/06/73/1012460673.db2.gz CTZCMMWKNTVSFB-GDBMZVCRSA-N 2 1 311.426 -0.306 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC#N)C2 ZINC001484317823 1012574335 /nfs/dbraw/zinc/57/43/35/1012574335.db2.gz JJFBIPPAWUUCFG-MJBXVCDLSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]2C1 ZINC001484408769 1012613631 /nfs/dbraw/zinc/61/36/31/1012613631.db2.gz SUKNBWBOPJHLTF-QLFBSQMISA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001497231045 1017317783 /nfs/dbraw/zinc/31/77/83/1017317783.db2.gz OXHWNEPJTLHCAF-LBPRGKRZSA-N 2 1 305.382 -0.575 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NCC=C ZINC001498055237 1017596678 /nfs/dbraw/zinc/59/66/78/1017596678.db2.gz NIEHYUDFCKUDLK-KKUMJFAQSA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NCC=C ZINC001498055237 1017596687 /nfs/dbraw/zinc/59/66/87/1017596687.db2.gz NIEHYUDFCKUDLK-KKUMJFAQSA-N 2 1 320.437 -0.131 20 30 DBEDMP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500706632 1018420911 /nfs/dbraw/zinc/42/09/11/1018420911.db2.gz KGDYURCDOZTOJZ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706632 1018420920 /nfs/dbraw/zinc/42/09/20/1018420920.db2.gz KGDYURCDOZTOJZ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706632 1018420927 /nfs/dbraw/zinc/42/09/27/1018420927.db2.gz KGDYURCDOZTOJZ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001501354441 1018649581 /nfs/dbraw/zinc/64/95/81/1018649581.db2.gz XLOHQACBCZWFFI-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001501354441 1018649600 /nfs/dbraw/zinc/64/96/00/1018649600.db2.gz XLOHQACBCZWFFI-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001502559741 1019088536 /nfs/dbraw/zinc/08/85/36/1019088536.db2.gz IGTXENHBZHBBTH-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001502559741 1019088553 /nfs/dbraw/zinc/08/85/53/1019088553.db2.gz IGTXENHBZHBBTH-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502727868 1019151167 /nfs/dbraw/zinc/15/11/67/1019151167.db2.gz MQYGGVUHXKSZKY-YPMHNXCESA-N 2 1 318.381 -0.732 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001575414161 1019566145 /nfs/dbraw/zinc/56/61/45/1019566145.db2.gz BVMVACTVERAURJ-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C1(C[NH+](C)C)CC1 ZINC001575414161 1019566166 /nfs/dbraw/zinc/56/61/66/1019566166.db2.gz BVMVACTVERAURJ-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(=O)NCC#N ZINC001505936082 1019610025 /nfs/dbraw/zinc/61/00/25/1019610025.db2.gz USOLLDOJOMGAMF-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(=O)NCC#N ZINC001505936082 1019610029 /nfs/dbraw/zinc/61/00/29/1019610029.db2.gz USOLLDOJOMGAMF-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(=O)NCC#N ZINC001505936082 1019610034 /nfs/dbraw/zinc/61/00/34/1019610034.db2.gz USOLLDOJOMGAMF-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(=O)NCC#N ZINC001505936082 1019610048 /nfs/dbraw/zinc/61/00/48/1019610048.db2.gz USOLLDOJOMGAMF-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506816170 1019946099 /nfs/dbraw/zinc/94/60/99/1019946099.db2.gz OGPAFDFZEBKAJA-XQLPTFJDSA-N 2 1 320.437 -0.630 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001506890804 1019984885 /nfs/dbraw/zinc/98/48/85/1019984885.db2.gz MSOQGVTWANVZDD-JOCQHMNTSA-N 2 1 318.381 -0.684 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001507083605 1020081755 /nfs/dbraw/zinc/08/17/55/1020081755.db2.gz UFKQXHWLGDGOTN-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001507161125 1020109910 /nfs/dbraw/zinc/10/99/10/1020109910.db2.gz XQMQJULFZJQPRH-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001507161125 1020109917 /nfs/dbraw/zinc/10/99/17/1020109917.db2.gz XQMQJULFZJQPRH-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001507709687 1020477750 /nfs/dbraw/zinc/47/77/50/1020477750.db2.gz ZMFULQLVPBEDAA-OAHLLOKOSA-N 2 1 311.426 -0.517 20 30 DBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001507709687 1020477763 /nfs/dbraw/zinc/47/77/63/1020477763.db2.gz ZMFULQLVPBEDAA-OAHLLOKOSA-N 2 1 311.426 -0.517 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001508102615 1020527653 /nfs/dbraw/zinc/52/76/53/1020527653.db2.gz IFAYCPWOKBCQSL-JXQTWKCFSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001508102615 1020527659 /nfs/dbraw/zinc/52/76/59/1020527659.db2.gz IFAYCPWOKBCQSL-JXQTWKCFSA-N 2 1 324.425 -0.802 20 30 DBEDMP N#Cc1ccc(C[N@H+]2CCCN(C(=O)[C@H]([NH3+])CO)CC2)cc1 ZINC001580066252 1020641211 /nfs/dbraw/zinc/64/12/11/1020641211.db2.gz HSZCOBITROUAFW-OAHLLOKOSA-N 2 1 302.378 -0.088 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001526715720 1022552725 /nfs/dbraw/zinc/55/27/25/1022552725.db2.gz HKACOKGTXXBTLM-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001526715720 1022552737 /nfs/dbraw/zinc/55/27/37/1022552737.db2.gz HKACOKGTXXBTLM-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001565920140 1024090655 /nfs/dbraw/zinc/09/06/55/1024090655.db2.gz PMRNDQPDAKIDET-LSDHHAIUSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@H](C)C(N)=O ZINC001566553542 1024247616 /nfs/dbraw/zinc/24/76/16/1024247616.db2.gz XLRSPHPLPZKTJQ-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@H](C)C(N)=O ZINC001566553542 1024247628 /nfs/dbraw/zinc/24/76/28/1024247628.db2.gz XLRSPHPLPZKTJQ-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H](C)C(N)=O ZINC001566553542 1024247638 /nfs/dbraw/zinc/24/76/38/1024247638.db2.gz XLRSPHPLPZKTJQ-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H](C)C(N)=O ZINC001566553542 1024247654 /nfs/dbraw/zinc/24/76/54/1024247654.db2.gz XLRSPHPLPZKTJQ-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001566778898 1024366639 /nfs/dbraw/zinc/36/66/39/1024366639.db2.gz FGTSKBZADJDYOQ-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877137 1024407833 /nfs/dbraw/zinc/40/78/33/1024407833.db2.gz QTDGJJDMDAOISI-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001566991676 1024454227 /nfs/dbraw/zinc/45/42/27/1024454227.db2.gz GLPBOBLJWDMMQU-UHFFFAOYSA-N 2 1 323.441 -0.017 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001567017180 1024466046 /nfs/dbraw/zinc/46/60/46/1024466046.db2.gz VMWLTPSBHAXOAN-STQMWFEESA-N 2 1 309.414 -0.407 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001567101521 1024520996 /nfs/dbraw/zinc/52/09/96/1024520996.db2.gz NMJGDCMXXIJHEC-IHRRRGAJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001567126992 1024535411 /nfs/dbraw/zinc/53/54/11/1024535411.db2.gz CDUVZZDUTIGXKG-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C[C@H](O)COC)C1 ZINC001567126992 1024535436 /nfs/dbraw/zinc/53/54/36/1024535436.db2.gz CDUVZZDUTIGXKG-PMPSAXMXSA-N 2 1 323.437 -0.471 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567177970 1024560419 /nfs/dbraw/zinc/56/04/19/1024560419.db2.gz YMYZYNSWOLKBMK-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001567218175 1024577586 /nfs/dbraw/zinc/57/75/86/1024577586.db2.gz GDEKNPBOPRCLFD-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)N(C)C ZINC001567218175 1024577606 /nfs/dbraw/zinc/57/76/06/1024577606.db2.gz GDEKNPBOPRCLFD-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001567319002 1024626821 /nfs/dbraw/zinc/62/68/21/1024626821.db2.gz WBTPGLQPUDXUNS-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001567319002 1024626846 /nfs/dbraw/zinc/62/68/46/1024626846.db2.gz WBTPGLQPUDXUNS-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001567319002 1024626856 /nfs/dbraw/zinc/62/68/56/1024626856.db2.gz WBTPGLQPUDXUNS-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001567319002 1024626882 /nfs/dbraw/zinc/62/68/82/1024626882.db2.gz WBTPGLQPUDXUNS-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001567324192 1024627575 /nfs/dbraw/zinc/62/75/75/1024627575.db2.gz DYMXPKYJRPLBHX-AWEZNQCLSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001567324192 1024627585 /nfs/dbraw/zinc/62/75/85/1024627585.db2.gz DYMXPKYJRPLBHX-AWEZNQCLSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001567324718 1024629882 /nfs/dbraw/zinc/62/98/82/1024629882.db2.gz ZKHONNUZBYQLKU-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001567324718 1024629891 /nfs/dbraw/zinc/62/98/91/1024629891.db2.gz ZKHONNUZBYQLKU-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395647 1024665511 /nfs/dbraw/zinc/66/55/11/1024665511.db2.gz OEIZTWVDRZECEX-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395647 1024665516 /nfs/dbraw/zinc/66/55/16/1024665516.db2.gz OEIZTWVDRZECEX-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567395647 1024665519 /nfs/dbraw/zinc/66/55/19/1024665519.db2.gz OEIZTWVDRZECEX-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567395647 1024665541 /nfs/dbraw/zinc/66/55/41/1024665541.db2.gz OEIZTWVDRZECEX-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001567414619 1024681309 /nfs/dbraw/zinc/68/13/09/1024681309.db2.gz JHZBRPVVVMPGIG-MRXNPFEDSA-N 2 1 323.437 -0.203 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001567414619 1024681328 /nfs/dbraw/zinc/68/13/28/1024681328.db2.gz JHZBRPVVVMPGIG-MRXNPFEDSA-N 2 1 323.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001567418760 1024690152 /nfs/dbraw/zinc/69/01/52/1024690152.db2.gz AIFSQDCZTAGITE-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001567548673 1024784488 /nfs/dbraw/zinc/78/44/88/1024784488.db2.gz RFQSYMHPBLFNTD-HNNXBMFYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC#N ZINC001568172190 1024870200 /nfs/dbraw/zinc/87/02/00/1024870200.db2.gz PETVXKXSEUWRQD-JHJVBQTASA-N 2 1 309.414 -0.692 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001568246297 1024882903 /nfs/dbraw/zinc/88/29/03/1024882903.db2.gz DPAQVXWLRFDBOA-CQSZACIVSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001568330993 1024892620 /nfs/dbraw/zinc/89/26/20/1024892620.db2.gz JCOLLOIMKJWRNB-KGLIPLIRSA-N 2 1 308.426 -0.310 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(N)=O)CC(C)C ZINC001568330993 1024892623 /nfs/dbraw/zinc/89/26/23/1024892623.db2.gz JCOLLOIMKJWRNB-KGLIPLIRSA-N 2 1 308.426 -0.310 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001568775649 1025010516 /nfs/dbraw/zinc/01/05/16/1025010516.db2.gz GEAXOMSDRUBINH-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001568866511 1025054548 /nfs/dbraw/zinc/05/45/48/1025054548.db2.gz USWMBNTWLIUHOY-RYIMYRPNSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H]1CCCNC1=O ZINC001568866511 1025054565 /nfs/dbraw/zinc/05/45/65/1025054565.db2.gz USWMBNTWLIUHOY-RYIMYRPNSA-N 2 1 318.421 -0.375 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001568964240 1025099801 /nfs/dbraw/zinc/09/98/01/1025099801.db2.gz PMUOXKBVQLRNEB-WFVIONGDSA-N 2 1 320.437 -0.013 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568970470 1025101668 /nfs/dbraw/zinc/10/16/68/1025101668.db2.gz XXAMEIUZNHCAGT-LFAOLKIESA-N 2 1 320.437 -0.128 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568970469 1025102034 /nfs/dbraw/zinc/10/20/34/1025102034.db2.gz XXAMEIUZNHCAGT-IDTUSYRASA-N 2 1 320.437 -0.128 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1CC ZINC001568997834 1025111195 /nfs/dbraw/zinc/11/11/95/1025111195.db2.gz MDUBXNVRSZKKGW-HIFRSBDPSA-N 2 1 318.425 -0.010 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1CC ZINC001568997834 1025111208 /nfs/dbraw/zinc/11/12/08/1025111208.db2.gz MDUBXNVRSZKKGW-HIFRSBDPSA-N 2 1 318.425 -0.010 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141182 1025154295 /nfs/dbraw/zinc/15/42/95/1025154295.db2.gz LZOFAOOMFHWOKI-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141182 1025154299 /nfs/dbraw/zinc/15/42/99/1025154299.db2.gz LZOFAOOMFHWOKI-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001569152429 1025158773 /nfs/dbraw/zinc/15/87/73/1025158773.db2.gz BEWUGSIJRRLBTM-QWHCGFSZSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001569152429 1025158786 /nfs/dbraw/zinc/15/87/86/1025158786.db2.gz BEWUGSIJRRLBTM-QWHCGFSZSA-N 2 1 308.426 -0.358 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001569541058 1025272721 /nfs/dbraw/zinc/27/27/21/1025272721.db2.gz CWZKTDGPJUHZIY-MGPQQGTHSA-N 2 1 321.425 -0.453 20 30 DBEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001569881904 1025382964 /nfs/dbraw/zinc/38/29/64/1025382964.db2.gz LOIQQEZOPZZPFG-HRCADAONSA-N 2 1 305.422 -0.022 20 30 DBEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001569881904 1025382982 /nfs/dbraw/zinc/38/29/82/1025382982.db2.gz LOIQQEZOPZZPFG-HRCADAONSA-N 2 1 305.422 -0.022 20 30 DBEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001570294508 1025568335 /nfs/dbraw/zinc/56/83/35/1025568335.db2.gz WEBKRKKKTHBCCH-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001570294508 1025568352 /nfs/dbraw/zinc/56/83/52/1025568352.db2.gz WEBKRKKKTHBCCH-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001570398132 1025595109 /nfs/dbraw/zinc/59/51/09/1025595109.db2.gz WHEUDEKOMACFKY-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001570398132 1025595119 /nfs/dbraw/zinc/59/51/19/1025595119.db2.gz WHEUDEKOMACFKY-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCC[NH+]1CCC(CO)(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001570497530 1025638843 /nfs/dbraw/zinc/63/88/43/1025638843.db2.gz JJQNCZBAALIZMR-UHFFFAOYSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C[C@@H](O)COC)C1 ZINC001570564379 1025662521 /nfs/dbraw/zinc/66/25/21/1025662521.db2.gz XWSMWVKHKDGPHG-FJBKBRRZSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]C[C@@H](O)COC)C1 ZINC001570564379 1025662540 /nfs/dbraw/zinc/66/25/40/1025662540.db2.gz XWSMWVKHKDGPHG-FJBKBRRZSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570710290 1025710425 /nfs/dbraw/zinc/71/04/25/1025710425.db2.gz FVJYAMDILJRWCB-ZFWWWQNUSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570710290 1025710445 /nfs/dbraw/zinc/71/04/45/1025710445.db2.gz FVJYAMDILJRWCB-ZFWWWQNUSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001570962167 1025803822 /nfs/dbraw/zinc/80/38/22/1025803822.db2.gz WQLWBBFEQIFSHD-YHUYYLMFSA-N 2 1 305.422 -0.118 20 30 DBEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571240194 1025884790 /nfs/dbraw/zinc/88/47/90/1025884790.db2.gz BODKRZRGYMRONK-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571240194 1025884792 /nfs/dbraw/zinc/88/47/92/1025884792.db2.gz BODKRZRGYMRONK-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001571432671 1025987144 /nfs/dbraw/zinc/98/71/44/1025987144.db2.gz SWIXQSNIILUJOP-CABCVRRESA-N 2 1 311.426 -0.423 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001571555322 1026068420 /nfs/dbraw/zinc/06/84/20/1026068420.db2.gz ZZJMPENSUFZERP-CABCVRRESA-N 2 1 323.437 -0.207 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001571555322 1026068447 /nfs/dbraw/zinc/06/84/47/1026068447.db2.gz ZZJMPENSUFZERP-CABCVRRESA-N 2 1 323.437 -0.207 20 30 DBEDMP C[NH+]1CCN(c2ncccc2CNC(=[NH2+])N2CCOCC2)CC1 ZINC000303902560 529778060 /nfs/dbraw/zinc/77/80/60/529778060.db2.gz XXFLSIMINJGINY-UHFFFAOYSA-N 2 1 318.425 -0.020 20 30 DBEDMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264095990 529803047 /nfs/dbraw/zinc/80/30/47/529803047.db2.gz MQSKRLVDAQZBGI-CYBMUJFWSA-N 2 1 303.414 -0.135 20 30 DBEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000594437705 375931336 /nfs/dbraw/zinc/93/13/36/375931336.db2.gz DJXOAVISRPJKNO-KGLIPLIRSA-N 2 1 321.425 -0.180 20 30 DBEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000594437704 375931347 /nfs/dbraw/zinc/93/13/47/375931347.db2.gz DJXOAVISRPJKNO-KBPBESRZSA-N 2 1 321.425 -0.180 20 30 DBEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000583564855 378418901 /nfs/dbraw/zinc/41/89/01/378418901.db2.gz IAOUWSDWVYNASX-CVEARBPZSA-N 2 1 312.458 -0.125 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@H]2CCO[C@H]2C)CC1 ZINC000491753708 393828876 /nfs/dbraw/zinc/82/88/76/393828876.db2.gz PGWJAIGHBJOPTO-GJZGRUSLSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@H]2CCO[C@H]2C)CC1 ZINC000491753708 393828878 /nfs/dbraw/zinc/82/88/78/393828878.db2.gz PGWJAIGHBJOPTO-GJZGRUSLSA-N 2 1 309.410 -0.765 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NCC#CCNC(=O)C[N@H+](C)C(C)C ZINC000680340641 544945847 /nfs/dbraw/zinc/94/58/47/544945847.db2.gz LCGIRECKTDSNRL-UHFFFAOYSA-N 2 1 310.442 -0.097 20 30 DBEDMP C[NH+]=C(NC[C@H](C)[NH+](C)C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261700819 526374586 /nfs/dbraw/zinc/37/45/86/526374586.db2.gz JECNVEGOLXLBFT-LBPRGKRZSA-N 2 1 321.429 -0.406 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022221958 664239148 /nfs/dbraw/zinc/23/91/48/664239148.db2.gz TWJVWZWHGMOBOV-XGUBFFRZSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001022221958 664239154 /nfs/dbraw/zinc/23/91/54/664239154.db2.gz TWJVWZWHGMOBOV-XGUBFFRZSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023761740 664856181 /nfs/dbraw/zinc/85/61/81/664856181.db2.gz ICCKVMBIRXFNSU-CQSZACIVSA-N 2 1 320.437 -0.355 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023761740 664856182 /nfs/dbraw/zinc/85/61/82/664856182.db2.gz ICCKVMBIRXFNSU-CQSZACIVSA-N 2 1 320.437 -0.355 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814013 665090855 /nfs/dbraw/zinc/09/08/55/665090855.db2.gz BISYPRLEQRZJFU-AIEDFZFUSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814013 665090858 /nfs/dbraw/zinc/09/08/58/665090858.db2.gz BISYPRLEQRZJFU-AIEDFZFUSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814013 665090859 /nfs/dbraw/zinc/09/08/59/665090859.db2.gz BISYPRLEQRZJFU-AIEDFZFUSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCNC3=O)C[C@H]21 ZINC001025814013 665090861 /nfs/dbraw/zinc/09/08/61/665090861.db2.gz BISYPRLEQRZJFU-AIEDFZFUSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC1(O)CN(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000893022891 665108477 /nfs/dbraw/zinc/10/84/77/665108477.db2.gz NWNNDRWBAMAUTC-CYBMUJFWSA-N 2 1 306.410 -0.456 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)NC(C)C ZINC000170913075 674908557 /nfs/dbraw/zinc/90/85/57/674908557.db2.gz HPRPUWJHKWNRMO-LBPRGKRZSA-N 2 1 319.475 -0.297 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985474833 671493340 /nfs/dbraw/zinc/49/33/40/671493340.db2.gz GQAINSWDBHAMCG-ZFWWWQNUSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC000985474833 671493343 /nfs/dbraw/zinc/49/33/43/671493343.db2.gz GQAINSWDBHAMCG-ZFWWWQNUSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](C)C(N)=O)CC1 ZINC000985474833 671493345 /nfs/dbraw/zinc/49/33/45/671493345.db2.gz GQAINSWDBHAMCG-ZFWWWQNUSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@@H](C)C(N)=O)CC1 ZINC000985474833 671493347 /nfs/dbraw/zinc/49/33/47/671493347.db2.gz GQAINSWDBHAMCG-ZFWWWQNUSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CCN(C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000917973021 677451240 /nfs/dbraw/zinc/45/12/40/677451240.db2.gz SUVCDRNSIQKARM-MRXNPFEDSA-N 2 1 321.469 -0.029 20 30 DBEDMP C[NH+](C)CCN1c2ccccc2C(=NNC2=[NH+]CCN2)C1=O ZINC000841658944 805576393 /nfs/dbraw/zinc/57/63/93/805576393.db2.gz GDSUJZUYSMIFLU-UHFFFAOYSA-N 2 1 300.366 -0.152 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001298810422 805835079 /nfs/dbraw/zinc/83/50/79/805835079.db2.gz ITEQQXHEDMWMQD-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001298810422 805835087 /nfs/dbraw/zinc/83/50/87/805835087.db2.gz ITEQQXHEDMWMQD-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001298810422 805835094 /nfs/dbraw/zinc/83/50/94/805835094.db2.gz ITEQQXHEDMWMQD-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001298810422 805835101 /nfs/dbraw/zinc/83/51/01/805835101.db2.gz ITEQQXHEDMWMQD-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[NH+]=C(NCCC[N@H+](C)CCOC)NCCN1CCOCC1 ZINC000848993269 805854352 /nfs/dbraw/zinc/85/43/52/805854352.db2.gz SBOVGPBFHXSPAH-UHFFFAOYSA-N 2 1 315.462 -0.548 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317001515 806068283 /nfs/dbraw/zinc/06/82/83/806068283.db2.gz LZIZFLAMDXKKHH-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011786 806069574 /nfs/dbraw/zinc/06/95/74/806069574.db2.gz LWQIHLJYUIRQFY-CABCVRRESA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011786 806069584 /nfs/dbraw/zinc/06/95/84/806069584.db2.gz LWQIHLJYUIRQFY-CABCVRRESA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040008 806075114 /nfs/dbraw/zinc/07/51/14/806075114.db2.gz CAWKFZTZZWUJBA-HNNXBMFYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317080160 806083800 /nfs/dbraw/zinc/08/38/00/806083800.db2.gz DBETVBBPCXFBAQ-KBUPBQIOSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001317115104 806090692 /nfs/dbraw/zinc/09/06/92/806090692.db2.gz JPCREYKSJBZNMV-MJBXVCDLSA-N 2 1 306.410 -0.543 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001317145834 806099230 /nfs/dbraw/zinc/09/92/30/806099230.db2.gz FRYGMXMDAGQXOE-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001317145834 806099237 /nfs/dbraw/zinc/09/92/37/806099237.db2.gz FRYGMXMDAGQXOE-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001317213666 806106858 /nfs/dbraw/zinc/10/68/58/806106858.db2.gz RCAKZEUVUVTLBT-VQJWOFKYSA-N 2 1 320.437 -0.489 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001317210924 806107418 /nfs/dbraw/zinc/10/74/18/806107418.db2.gz MJIIKMQNBIVYTP-MRLBHPIUSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317210924 806107420 /nfs/dbraw/zinc/10/74/20/806107420.db2.gz MJIIKMQNBIVYTP-MRLBHPIUSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001317210924 806107428 /nfs/dbraw/zinc/10/74/28/806107428.db2.gz MJIIKMQNBIVYTP-MRLBHPIUSA-N 2 1 320.437 -0.182 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317337020 806135716 /nfs/dbraw/zinc/13/57/16/806135716.db2.gz APMCBWWAWYSFKH-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317502862 806168692 /nfs/dbraw/zinc/16/86/92/806168692.db2.gz KZSJGMCGDSEKFB-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001317502862 806168696 /nfs/dbraw/zinc/16/86/96/806168696.db2.gz KZSJGMCGDSEKFB-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317536807 806180979 /nfs/dbraw/zinc/18/09/79/806180979.db2.gz YMLLDFSHMWFRKW-ZIAGYGMSSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317536807 806180981 /nfs/dbraw/zinc/18/09/81/806180981.db2.gz YMLLDFSHMWFRKW-ZIAGYGMSSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317536807 806180985 /nfs/dbraw/zinc/18/09/85/806180985.db2.gz YMLLDFSHMWFRKW-ZIAGYGMSSA-N 2 1 306.410 -0.874 20 30 DBEDMP O=C1OC[C@@H]2C[N@@H+](CC#CC[NH+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860163692 806220047 /nfs/dbraw/zinc/22/00/47/806220047.db2.gz CTKKQYYVKJPOPV-KPWCQOOUSA-N 2 1 304.346 -0.801 20 30 DBEDMP O=C1OC[C@@H]2C[NH+](CC#CC[N@@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860163692 806220052 /nfs/dbraw/zinc/22/00/52/806220052.db2.gz CTKKQYYVKJPOPV-KPWCQOOUSA-N 2 1 304.346 -0.801 20 30 DBEDMP O=C1OC[C@@H]2C[NH+](CC#CC[N@H+]3C[C@@H]4COC(=O)[C@@H]4C3)C[C@H]12 ZINC000860163692 806220055 /nfs/dbraw/zinc/22/00/55/806220055.db2.gz CTKKQYYVKJPOPV-KPWCQOOUSA-N 2 1 304.346 -0.801 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001317812239 806234730 /nfs/dbraw/zinc/23/47/30/806234730.db2.gz WPJHKMZFEVKCLB-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317812239 806234734 /nfs/dbraw/zinc/23/47/34/806234734.db2.gz WPJHKMZFEVKCLB-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317812239 806234740 /nfs/dbraw/zinc/23/47/40/806234740.db2.gz WPJHKMZFEVKCLB-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001317898347 806239565 /nfs/dbraw/zinc/23/95/65/806239565.db2.gz TXTSXITUYFAQLW-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001317898347 806239573 /nfs/dbraw/zinc/23/95/73/806239573.db2.gz TXTSXITUYFAQLW-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001317862815 806239824 /nfs/dbraw/zinc/23/98/24/806239824.db2.gz XYVLPHRLTJRCOH-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001317862815 806239831 /nfs/dbraw/zinc/23/98/31/806239831.db2.gz XYVLPHRLTJRCOH-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001317862815 806239837 /nfs/dbraw/zinc/23/98/37/806239837.db2.gz XYVLPHRLTJRCOH-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001318443100 806300811 /nfs/dbraw/zinc/30/08/11/806300811.db2.gz RCSQFXTZOICOCN-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001318443100 806300821 /nfs/dbraw/zinc/30/08/21/806300821.db2.gz RCSQFXTZOICOCN-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443100 806300831 /nfs/dbraw/zinc/30/08/31/806300831.db2.gz RCSQFXTZOICOCN-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443100 806300841 /nfs/dbraw/zinc/30/08/41/806300841.db2.gz RCSQFXTZOICOCN-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC[C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602474 806316081 /nfs/dbraw/zinc/31/60/81/806316081.db2.gz JREWYRDMDBNWQB-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602474 806316091 /nfs/dbraw/zinc/31/60/91/806316091.db2.gz JREWYRDMDBNWQB-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001319079219 806342830 /nfs/dbraw/zinc/34/28/30/806342830.db2.gz UUEWYPDMJNGWMK-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001319197606 806352356 /nfs/dbraw/zinc/35/23/56/806352356.db2.gz QAACKRMZVBKCKL-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnnn1C ZINC001319197606 806352364 /nfs/dbraw/zinc/35/23/64/806352364.db2.gz QAACKRMZVBKCKL-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282445 806360329 /nfs/dbraw/zinc/36/03/29/806360329.db2.gz OTFYVDPMAQJTDV-LSDHHAIUSA-N 2 1 311.426 -0.301 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282445 806360339 /nfs/dbraw/zinc/36/03/39/806360339.db2.gz OTFYVDPMAQJTDV-LSDHHAIUSA-N 2 1 311.426 -0.301 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550317 806362971 /nfs/dbraw/zinc/36/29/71/806362971.db2.gz UICXYFGWEBUICI-YUTCNCBUSA-N 2 1 322.409 -0.066 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282443 806360518 /nfs/dbraw/zinc/36/05/18/806360518.db2.gz OTFYVDPMAQJTDV-GJZGRUSLSA-N 2 1 311.426 -0.301 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282443 806360525 /nfs/dbraw/zinc/36/05/25/806360525.db2.gz OTFYVDPMAQJTDV-GJZGRUSLSA-N 2 1 311.426 -0.301 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CC(=O)NC1CC1 ZINC001320008179 806429113 /nfs/dbraw/zinc/42/91/13/806429113.db2.gz DTXIUYSHCBXADZ-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)CC(=O)NC1CC1 ZINC001320008179 806429118 /nfs/dbraw/zinc/42/91/18/806429118.db2.gz DTXIUYSHCBXADZ-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008535 806429257 /nfs/dbraw/zinc/42/92/57/806429257.db2.gz JBGCQXPKMRSNGX-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711806 806451851 /nfs/dbraw/zinc/45/18/51/806451851.db2.gz NZGGPHDUWBBNTD-DGAVXFQQSA-N 2 1 320.393 -0.360 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711806 806451856 /nfs/dbraw/zinc/45/18/56/806451856.db2.gz NZGGPHDUWBBNTD-DGAVXFQQSA-N 2 1 320.393 -0.360 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C[C@H](O)COC ZINC001322178711 806718450 /nfs/dbraw/zinc/71/84/50/806718450.db2.gz ZBTJQQLVWDYLQE-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)C[C@H](O)COC ZINC001322178711 806718455 /nfs/dbraw/zinc/71/84/55/806718455.db2.gz ZBTJQQLVWDYLQE-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)C[C@H](O)COC ZINC001322178711 806718458 /nfs/dbraw/zinc/71/84/58/806718458.db2.gz ZBTJQQLVWDYLQE-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C[C@H](O)COC ZINC001322178711 806718463 /nfs/dbraw/zinc/71/84/63/806718463.db2.gz ZBTJQQLVWDYLQE-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C[C@H](O)COC ZINC001322178711 806718468 /nfs/dbraw/zinc/71/84/68/806718468.db2.gz ZBTJQQLVWDYLQE-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876808212 806806724 /nfs/dbraw/zinc/80/67/24/806806724.db2.gz OYLKBFYRNXSAHG-NEPJUHHUSA-N 2 1 314.817 -0.121 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001323109895 806825555 /nfs/dbraw/zinc/82/55/55/806825555.db2.gz USWFDVDWSJUPNG-KGLIPLIRSA-N 2 1 308.426 -0.275 20 30 DBEDMP CC#CC[NH2+][C@@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278178567 803764251 /nfs/dbraw/zinc/76/42/51/803764251.db2.gz IPSOOWOJCLIESR-CQSZACIVSA-N 2 1 313.361 -0.029 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278423993 803791529 /nfs/dbraw/zinc/79/15/29/803791529.db2.gz MYCQNZPSVPSMAV-STQMWFEESA-N 2 1 309.414 -0.455 20 30 DBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001278733301 803811059 /nfs/dbraw/zinc/81/10/59/803811059.db2.gz DWFCSZGSIWDZAU-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001278733301 803811069 /nfs/dbraw/zinc/81/10/69/803811069.db2.gz DWFCSZGSIWDZAU-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278771228 803819158 /nfs/dbraw/zinc/81/91/58/803819158.db2.gz MIOYQVMMXWGMIG-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278771228 803819165 /nfs/dbraw/zinc/81/91/65/803819165.db2.gz MIOYQVMMXWGMIG-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278771228 803819173 /nfs/dbraw/zinc/81/91/73/803819173.db2.gz MIOYQVMMXWGMIG-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278771228 803819185 /nfs/dbraw/zinc/81/91/85/803819185.db2.gz MIOYQVMMXWGMIG-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNS(=O)(=O)CC ZINC000303971848 803836311 /nfs/dbraw/zinc/83/63/11/803836311.db2.gz FETVHNNYRLYBHS-GFCCVEGCSA-N 2 1 319.475 -0.296 20 30 DBEDMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303977687 803836914 /nfs/dbraw/zinc/83/69/14/803836914.db2.gz LMGBFOSEIPHILN-CYBMUJFWSA-N 2 1 311.430 -0.424 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)NS(C)(=O)=O ZINC000304760560 803837580 /nfs/dbraw/zinc/83/75/80/803837580.db2.gz SNLZNXKBOSFQCG-NSHDSACASA-N 2 1 319.475 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001279179837 803874345 /nfs/dbraw/zinc/87/43/45/803874345.db2.gz AMASNEPMSXAXDL-LSDHHAIUSA-N 2 1 322.453 -0.238 20 30 DBEDMP CN(C(=O)[C@@H]1CCCC[N@H+]1C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001279274220 803876821 /nfs/dbraw/zinc/87/68/21/803876821.db2.gz SPHJFVKVZJSITO-RUXDESIVSA-N 2 1 321.425 -0.311 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001280755062 804013557 /nfs/dbraw/zinc/01/35/57/804013557.db2.gz BBLDUSOYOFRBOE-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964166 804238768 /nfs/dbraw/zinc/23/87/68/804238768.db2.gz CCJZQPPVDGFQBU-ZIAGYGMSSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964166 804238777 /nfs/dbraw/zinc/23/87/77/804238777.db2.gz CCJZQPPVDGFQBU-ZIAGYGMSSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392175 804272429 /nfs/dbraw/zinc/27/24/29/804272429.db2.gz WXUFLAQYDNKOER-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392175 804272431 /nfs/dbraw/zinc/27/24/31/804272431.db2.gz WXUFLAQYDNKOER-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282392175 804272438 /nfs/dbraw/zinc/27/24/38/804272438.db2.gz WXUFLAQYDNKOER-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282392175 804272442 /nfs/dbraw/zinc/27/24/42/804272442.db2.gz WXUFLAQYDNKOER-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001282398348 804274146 /nfs/dbraw/zinc/27/41/46/804274146.db2.gz MHBGJGUMXPTCQH-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001282398348 804274155 /nfs/dbraw/zinc/27/41/55/804274155.db2.gz MHBGJGUMXPTCQH-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001282398348 804274165 /nfs/dbraw/zinc/27/41/65/804274165.db2.gz MHBGJGUMXPTCQH-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001282398348 804274175 /nfs/dbraw/zinc/27/41/75/804274175.db2.gz MHBGJGUMXPTCQH-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001283051265 804396548 /nfs/dbraw/zinc/39/65/48/804396548.db2.gz FDBBLZFWGLLIOF-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)N(C)C)C1 ZINC001283051265 804396554 /nfs/dbraw/zinc/39/65/54/804396554.db2.gz FDBBLZFWGLLIOF-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001283983950 804617990 /nfs/dbraw/zinc/61/79/90/804617990.db2.gz AMCBMAGSWWJRAK-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284346111 804688095 /nfs/dbraw/zinc/68/80/95/804688095.db2.gz FTBXSBNPVZQIGL-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000825297575 805275696 /nfs/dbraw/zinc/27/56/96/805275696.db2.gz ATPAQNLNLORRFN-UHFFFAOYSA-N 2 1 320.437 -0.436 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001292916778 805357125 /nfs/dbraw/zinc/35/71/25/805357125.db2.gz RVBCTISSWUBYOQ-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001292916778 805357134 /nfs/dbraw/zinc/35/71/34/805357134.db2.gz RVBCTISSWUBYOQ-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001292916778 805357142 /nfs/dbraw/zinc/35/71/42/805357142.db2.gz RVBCTISSWUBYOQ-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCC[C@@H]1C ZINC001292916778 805357146 /nfs/dbraw/zinc/35/71/46/805357146.db2.gz RVBCTISSWUBYOQ-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000884175733 807038964 /nfs/dbraw/zinc/03/89/64/807038964.db2.gz FERMQFYNVSFGIY-NPCAHTBFSA-N 2 1 306.410 -0.036 20 30 DBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001325161418 807042943 /nfs/dbraw/zinc/04/29/43/807042943.db2.gz OCHLSBNYLKPWPH-GDBMZVCRSA-N 2 1 311.426 -0.306 20 30 DBEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001327670928 807321056 /nfs/dbraw/zinc/32/10/56/807321056.db2.gz BXIIDYLZIHKTMG-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP CC#CC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001327670928 807321063 /nfs/dbraw/zinc/32/10/63/807321063.db2.gz BXIIDYLZIHKTMG-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001328268458 807402980 /nfs/dbraw/zinc/40/29/80/807402980.db2.gz UNKOMYUWDVLFPF-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001328268458 807402984 /nfs/dbraw/zinc/40/29/84/807402984.db2.gz UNKOMYUWDVLFPF-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734072 807405512 /nfs/dbraw/zinc/40/55/12/807405512.db2.gz UQBXFKSXMKHTQA-NVXWUHKLSA-N 2 1 322.453 -0.325 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001328941207 807491622 /nfs/dbraw/zinc/49/16/22/807491622.db2.gz OPEYQRCXWQNNDH-IYXRBSQSSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001329051157 807511166 /nfs/dbraw/zinc/51/11/66/807511166.db2.gz WZBZSTYJSCQZRO-NEPJUHHUSA-N 2 1 305.382 -0.426 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001329051160 807511629 /nfs/dbraw/zinc/51/16/29/807511629.db2.gz WZBZSTYJSCQZRO-VXGBXAGGSA-N 2 1 305.382 -0.426 20 30 DBEDMP C#CC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001330429491 807712292 /nfs/dbraw/zinc/71/22/92/807712292.db2.gz OZJLEIHLCRDHDG-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001330708132 807742799 /nfs/dbraw/zinc/74/27/99/807742799.db2.gz KCUWULXTARQRDF-HDJSIYSDSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001332011133 807861244 /nfs/dbraw/zinc/86/12/44/807861244.db2.gz ZEQFNZXHYDXTRW-OCCSQVGLSA-N 2 1 317.393 -0.480 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001332839347 807985830 /nfs/dbraw/zinc/98/58/30/807985830.db2.gz WJTJQNXMCZBCRV-CHWSQXEVSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001333080947 808013218 /nfs/dbraw/zinc/01/32/18/808013218.db2.gz CXFJNOPOYMWPPM-NRXISQOPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001333080951 808013267 /nfs/dbraw/zinc/01/32/67/808013267.db2.gz CXFJNOPOYMWPPM-YMAMQOFZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468062 809920950 /nfs/dbraw/zinc/92/09/50/809920950.db2.gz RCODHJRXCYHGQN-HIFRSBDPSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961284289 810260432 /nfs/dbraw/zinc/26/04/32/810260432.db2.gz SCQQYEANBJJDEC-AHRVAXILSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961284289 810260437 /nfs/dbraw/zinc/26/04/37/810260437.db2.gz SCQQYEANBJJDEC-AHRVAXILSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961284289 810260444 /nfs/dbraw/zinc/26/04/44/810260444.db2.gz SCQQYEANBJJDEC-AHRVAXILSA-N 2 1 301.390 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC000962777410 810579965 /nfs/dbraw/zinc/57/99/65/810579965.db2.gz OLJJGUCYNQBBMI-RZFFKMDDSA-N 2 1 318.421 -0.748 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@H](C)C(N)=O)C[C@H]32)CC1 ZINC000962777410 810579971 /nfs/dbraw/zinc/57/99/71/810579971.db2.gz OLJJGUCYNQBBMI-RZFFKMDDSA-N 2 1 318.421 -0.748 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000968955002 811520539 /nfs/dbraw/zinc/52/05/39/811520539.db2.gz ZLDCRLKXXFCUCR-RDBSUJKOSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000968955002 811520542 /nfs/dbraw/zinc/52/05/42/811520542.db2.gz ZLDCRLKXXFCUCR-RDBSUJKOSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001016335884 813652431 /nfs/dbraw/zinc/65/24/31/813652431.db2.gz HAJCIDVXGGGNGA-GJZGRUSLSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001016335884 813652435 /nfs/dbraw/zinc/65/24/35/813652435.db2.gz HAJCIDVXGGGNGA-GJZGRUSLSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001018986144 814039055 /nfs/dbraw/zinc/03/90/55/814039055.db2.gz SANUXTSEWWXFMU-ZFWWWQNUSA-N 2 1 316.409 -0.397 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001018986144 814039061 /nfs/dbraw/zinc/03/90/61/814039061.db2.gz SANUXTSEWWXFMU-ZFWWWQNUSA-N 2 1 316.409 -0.397 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944324 817487477 /nfs/dbraw/zinc/48/74/77/817487477.db2.gz SUHGGIORNSPHHN-SYGRHNPNSA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944324 817487481 /nfs/dbraw/zinc/48/74/81/817487481.db2.gz SUHGGIORNSPHHN-SYGRHNPNSA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944324 817487486 /nfs/dbraw/zinc/48/74/86/817487486.db2.gz SUHGGIORNSPHHN-SYGRHNPNSA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215937 817564207 /nfs/dbraw/zinc/56/42/07/817564207.db2.gz QLJNBDUDPLOTEF-HRCADAONSA-N 2 1 305.422 -0.022 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C[NH+]3CCOCC3)C[C@H]2C1 ZINC001049215938 817565478 /nfs/dbraw/zinc/56/54/78/817565478.db2.gz QLJNBDUDPLOTEF-OAGGEKHMSA-N 2 1 305.422 -0.022 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)C[C@@H]1n1ccnn1 ZINC001070273904 820439953 /nfs/dbraw/zinc/43/99/53/820439953.db2.gz KFICEJPMQUJYSO-KFWWJZLASA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564023 821165457 /nfs/dbraw/zinc/16/54/57/821165457.db2.gz PCYPRJFQHDAIRS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564023 821165463 /nfs/dbraw/zinc/16/54/63/821165463.db2.gz PCYPRJFQHDAIRS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564023 821165468 /nfs/dbraw/zinc/16/54/68/821165468.db2.gz PCYPRJFQHDAIRS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564023 821165473 /nfs/dbraw/zinc/16/54/73/821165473.db2.gz PCYPRJFQHDAIRS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001073896632 821267204 /nfs/dbraw/zinc/26/72/04/821267204.db2.gz WPPAEXNVHBUGDD-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896632 821267211 /nfs/dbraw/zinc/26/72/11/821267211.db2.gz WPPAEXNVHBUGDD-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896632 821267217 /nfs/dbraw/zinc/26/72/17/821267217.db2.gz WPPAEXNVHBUGDD-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001073896632 821267222 /nfs/dbraw/zinc/26/72/22/821267222.db2.gz WPPAEXNVHBUGDD-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@@H](O)COC)CC2)CC1 ZINC001113677855 828537428 /nfs/dbraw/zinc/53/74/28/828537428.db2.gz UFGLIZQEXHFOJJ-MRXNPFEDSA-N 2 1 323.437 -0.517 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001080992288 824121028 /nfs/dbraw/zinc/12/10/28/824121028.db2.gz CNWISFIWQYLZBV-UMVBOHGHSA-N 2 1 320.437 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001080992288 824121029 /nfs/dbraw/zinc/12/10/29/824121029.db2.gz CNWISFIWQYLZBV-UMVBOHGHSA-N 2 1 320.437 -0.358 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298031 828672465 /nfs/dbraw/zinc/67/24/65/828672465.db2.gz BDDLOFSPVJJLOM-FAHYXWLWSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298031 828672470 /nfs/dbraw/zinc/67/24/70/828672470.db2.gz BDDLOFSPVJJLOM-FAHYXWLWSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298031 828672475 /nfs/dbraw/zinc/67/24/75/828672475.db2.gz BDDLOFSPVJJLOM-FAHYXWLWSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298031 828672476 /nfs/dbraw/zinc/67/24/76/828672476.db2.gz BDDLOFSPVJJLOM-FAHYXWLWSA-N 2 1 318.421 -0.878 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654362 824711920 /nfs/dbraw/zinc/71/19/20/824711920.db2.gz KNJKCFTWCYCTNK-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654362 824711925 /nfs/dbraw/zinc/71/19/25/824711925.db2.gz KNJKCFTWCYCTNK-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654362 824711928 /nfs/dbraw/zinc/71/19/28/824711928.db2.gz KNJKCFTWCYCTNK-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654362 824711932 /nfs/dbraw/zinc/71/19/32/824711932.db2.gz KNJKCFTWCYCTNK-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405306 828688260 /nfs/dbraw/zinc/68/82/60/828688260.db2.gz QEOWBYBZHUNMNQ-NHAGDIPZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114405306 828688262 /nfs/dbraw/zinc/68/82/62/828688262.db2.gz QEOWBYBZHUNMNQ-NHAGDIPZSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410374 828689319 /nfs/dbraw/zinc/68/93/19/828689319.db2.gz UVWNMMYPWCDINH-BFJAYTPKSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001114410374 828689321 /nfs/dbraw/zinc/68/93/21/828689321.db2.gz UVWNMMYPWCDINH-BFJAYTPKSA-N 2 1 318.421 -0.878 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114465659 828698342 /nfs/dbraw/zinc/69/83/42/828698342.db2.gz IXXOUUATEKIWTF-CTASWTNQSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001114465659 828698345 /nfs/dbraw/zinc/69/83/45/828698345.db2.gz IXXOUUATEKIWTF-CTASWTNQSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465659 828698346 /nfs/dbraw/zinc/69/83/46/828698346.db2.gz IXXOUUATEKIWTF-CTASWTNQSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114465659 828698349 /nfs/dbraw/zinc/69/83/49/828698349.db2.gz IXXOUUATEKIWTF-CTASWTNQSA-N 2 1 320.437 -0.181 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086109808 825179254 /nfs/dbraw/zinc/17/92/54/825179254.db2.gz FVCFPACAVPKXNW-BARDWOONSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086109808 825179258 /nfs/dbraw/zinc/17/92/58/825179258.db2.gz FVCFPACAVPKXNW-BARDWOONSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086720848 825295448 /nfs/dbraw/zinc/29/54/48/825295448.db2.gz RHIIUYLOBMDVBR-MJBXVCDLSA-N 2 1 306.410 -0.556 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(N)=O)C1 ZINC001086720848 825295455 /nfs/dbraw/zinc/29/54/55/825295455.db2.gz RHIIUYLOBMDVBR-MJBXVCDLSA-N 2 1 306.410 -0.556 20 30 DBEDMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115145442 828793031 /nfs/dbraw/zinc/79/30/31/828793031.db2.gz HIEVPOQYWPJZOH-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115145442 828793036 /nfs/dbraw/zinc/79/30/36/828793036.db2.gz HIEVPOQYWPJZOH-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115151739 828793556 /nfs/dbraw/zinc/79/35/56/828793556.db2.gz KZSRELCHHIGYKT-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115151739 828793559 /nfs/dbraw/zinc/79/35/59/828793559.db2.gz KZSRELCHHIGYKT-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115151739 828793561 /nfs/dbraw/zinc/79/35/61/828793561.db2.gz KZSRELCHHIGYKT-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP CCC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115151739 828793562 /nfs/dbraw/zinc/79/35/62/828793562.db2.gz KZSRELCHHIGYKT-VIKVFOODSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@H](O)C1 ZINC001090830221 825863104 /nfs/dbraw/zinc/86/31/04/825863104.db2.gz JOSOAJCGZITINQ-IAGOWNOFSA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](O)C1 ZINC001090830223 825863296 /nfs/dbraw/zinc/86/32/96/825863296.db2.gz JOSOAJCGZITINQ-SJORKVTESA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@H]2O)CC1 ZINC001090832161 825864621 /nfs/dbraw/zinc/86/46/21/825864621.db2.gz YQKPNAQHDUFIGR-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001098499924 826492370 /nfs/dbraw/zinc/49/23/70/826492370.db2.gz JLVVEDSEURPSNR-UHFFFAOYSA-N 2 1 323.437 -0.373 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001098499924 826492372 /nfs/dbraw/zinc/49/23/72/826492372.db2.gz JLVVEDSEURPSNR-UHFFFAOYSA-N 2 1 323.437 -0.373 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001098566679 826498964 /nfs/dbraw/zinc/49/89/64/826498964.db2.gz IIJOQWVYDQCYNX-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001098566679 826498968 /nfs/dbraw/zinc/49/89/68/826498968.db2.gz IIJOQWVYDQCYNX-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566679 826498970 /nfs/dbraw/zinc/49/89/70/826498970.db2.gz IIJOQWVYDQCYNX-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](CC)CCO2)CC1 ZINC001098566679 826498973 /nfs/dbraw/zinc/49/89/73/826498973.db2.gz IIJOQWVYDQCYNX-INIZCTEOSA-N 2 1 323.437 -0.374 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872508 826707773 /nfs/dbraw/zinc/70/77/73/826707773.db2.gz VGTNYLNTLABJRR-CABCVRRESA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872508 826707782 /nfs/dbraw/zinc/70/77/82/826707782.db2.gz VGTNYLNTLABJRR-CABCVRRESA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979667 826755032 /nfs/dbraw/zinc/75/50/32/826755032.db2.gz YZBHYHDYMWSEIO-HOTGVXAUSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979667 826755033 /nfs/dbraw/zinc/75/50/33/826755033.db2.gz YZBHYHDYMWSEIO-HOTGVXAUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037217 826786889 /nfs/dbraw/zinc/78/68/89/826786889.db2.gz VYZBQWPHTFSCEO-GJZGRUSLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037217 826786892 /nfs/dbraw/zinc/78/68/92/826786892.db2.gz VYZBQWPHTFSCEO-GJZGRUSLSA-N 2 1 311.426 -0.164 20 30 DBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050062 826797444 /nfs/dbraw/zinc/79/74/44/826797444.db2.gz BLHDFVNABZSLRQ-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100055982 826802746 /nfs/dbraw/zinc/80/27/46/826802746.db2.gz MLNFNRDHSRFGGJ-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109482 826858974 /nfs/dbraw/zinc/85/89/74/826858974.db2.gz GEGLRCYVTOJMSH-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110407 826861128 /nfs/dbraw/zinc/86/11/28/826861128.db2.gz VIMAOGQLAIGPHK-LSDHHAIUSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110407 826861140 /nfs/dbraw/zinc/86/11/40/826861140.db2.gz VIMAOGQLAIGPHK-LSDHHAIUSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110404 826861511 /nfs/dbraw/zinc/86/15/11/826861511.db2.gz VIMAOGQLAIGPHK-CABCVRRESA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110404 826861522 /nfs/dbraw/zinc/86/15/22/826861522.db2.gz VIMAOGQLAIGPHK-CABCVRRESA-N 2 1 322.409 -0.054 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162646921 833115743 /nfs/dbraw/zinc/11/57/43/833115743.db2.gz MDEICBBXAIJAKJ-ZDUSSCGKSA-N 2 1 305.382 -0.575 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872421 833122106 /nfs/dbraw/zinc/12/21/06/833122106.db2.gz RDJGKKKEWLPMSZ-CKDBGZEDSA-N 2 1 321.421 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001100343559 826944563 /nfs/dbraw/zinc/94/45/63/826944563.db2.gz HWHCBRNJQWFHMI-XSCHDIRWSA-N 2 1 320.437 -0.440 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100415282 826961304 /nfs/dbraw/zinc/96/13/04/826961304.db2.gz IUEAJJIUISLYNE-GPANFISMSA-N 2 1 323.437 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CCOCCO)C1 ZINC001100415282 826961307 /nfs/dbraw/zinc/96/13/07/826961307.db2.gz IUEAJJIUISLYNE-GPANFISMSA-N 2 1 323.437 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001274984467 833144989 /nfs/dbraw/zinc/14/49/89/833144989.db2.gz FTVKBJZUADIJMP-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100982239 827058211 /nfs/dbraw/zinc/05/82/11/827058211.db2.gz PFVSKBZPRSBHGQ-OTTFEQOBSA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100987611 827058593 /nfs/dbraw/zinc/05/85/93/827058593.db2.gz LWPOMFXSRHWGHW-UHFFFAOYSA-N 2 1 317.393 -0.575 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001275184696 833156091 /nfs/dbraw/zinc/15/60/91/833156091.db2.gz GIQQFAJOXGSKTA-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001275185176 833156428 /nfs/dbraw/zinc/15/64/28/833156428.db2.gz PSZPAHJJIOZXCR-YDHLFZDLSA-N 2 1 320.437 -0.155 20 30 DBEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844336 827155355 /nfs/dbraw/zinc/15/53/55/827155355.db2.gz WKHQSFKPUBOZLQ-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844336 827155359 /nfs/dbraw/zinc/15/53/59/827155359.db2.gz WKHQSFKPUBOZLQ-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844336 827155365 /nfs/dbraw/zinc/15/53/65/827155365.db2.gz WKHQSFKPUBOZLQ-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844336 827155374 /nfs/dbraw/zinc/15/53/74/827155374.db2.gz WKHQSFKPUBOZLQ-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102320594 827198683 /nfs/dbraw/zinc/19/86/83/827198683.db2.gz KCXYOIVGLBXYIV-RBSFLKMASA-N 2 1 322.453 -0.240 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981087 827689738 /nfs/dbraw/zinc/68/97/38/827689738.db2.gz GBPQGHOXYVSIFC-QLFBSQMISA-N 2 1 320.437 -0.628 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983050 827690599 /nfs/dbraw/zinc/69/05/99/827690599.db2.gz SIERIUARVPTMFF-RBSFLKMASA-N 2 1 322.453 -0.076 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001167472002 833299855 /nfs/dbraw/zinc/29/98/55/833299855.db2.gz QQJVSPBESBWRIE-UHFFFAOYSA-N 2 1 319.409 -0.148 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167635354 833305628 /nfs/dbraw/zinc/30/56/28/833305628.db2.gz JJMOYMOMLXOYBO-UHFFFAOYSA-N 2 1 323.441 -0.156 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030382 833315939 /nfs/dbraw/zinc/31/59/39/833315939.db2.gz NVHZCMTVHCTIBJ-CABCVRRESA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CCCn1cc[nH+]c1C ZINC001168363642 833323460 /nfs/dbraw/zinc/32/34/60/833323460.db2.gz NVZSNVUYVNFEPG-UHFFFAOYSA-N 2 1 319.409 -0.183 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)CC[NH+]1CCOCC1 ZINC001168441271 833323987 /nfs/dbraw/zinc/32/39/87/833323987.db2.gz DZWNZIHJEYPYPZ-UHFFFAOYSA-N 2 1 312.414 -0.893 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176057057 833399623 /nfs/dbraw/zinc/39/96/23/833399623.db2.gz MLZDNGBJGBTTPI-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176146530 833401262 /nfs/dbraw/zinc/40/12/62/833401262.db2.gz CGPJABKQEYUPNF-GFCCVEGCSA-N 2 1 307.398 -0.022 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001124838818 829795008 /nfs/dbraw/zinc/79/50/08/829795008.db2.gz ZZNZHYVVYOJYQF-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)C1 ZINC001180182692 833572647 /nfs/dbraw/zinc/57/26/47/833572647.db2.gz KRLSWAIPTDRVRE-JYJNAYRXSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)C1 ZINC001180182692 833572651 /nfs/dbraw/zinc/57/26/51/833572651.db2.gz KRLSWAIPTDRVRE-JYJNAYRXSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276658 830166101 /nfs/dbraw/zinc/16/61/01/830166101.db2.gz QMUFZNCPWPPDPO-ILXRZTDVSA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129276658 830166105 /nfs/dbraw/zinc/16/61/05/830166105.db2.gz QMUFZNCPWPPDPO-ILXRZTDVSA-N 2 1 318.425 -0.017 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129385364 830177038 /nfs/dbraw/zinc/17/70/38/830177038.db2.gz DLVAJLAQAKUVOP-AWEZNQCLSA-N 2 1 307.398 -0.831 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129416138 830179914 /nfs/dbraw/zinc/17/99/14/830179914.db2.gz DTLGWLZABMTODM-LBPRGKRZSA-N 2 1 305.382 -0.232 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129436406 830181126 /nfs/dbraw/zinc/18/11/26/830181126.db2.gz PIGAUNJGJSDNKG-CHWSQXEVSA-N 2 1 317.393 -0.396 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001129775752 830209338 /nfs/dbraw/zinc/20/93/38/830209338.db2.gz SPCSMAAOIFOVTH-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(C)C1CC1 ZINC001129775752 830209341 /nfs/dbraw/zinc/20/93/41/830209341.db2.gz SPCSMAAOIFOVTH-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001129774830 830209656 /nfs/dbraw/zinc/20/96/56/830209656.db2.gz GVQIDOPFCGQNKT-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCC1 ZINC001129774830 830209662 /nfs/dbraw/zinc/20/96/62/830209662.db2.gz GVQIDOPFCGQNKT-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129845928 830217155 /nfs/dbraw/zinc/21/71/55/830217155.db2.gz KTUVZELVZXXHNT-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129845926 830217308 /nfs/dbraw/zinc/21/73/08/830217308.db2.gz KTUVZELVZXXHNT-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123644 830267841 /nfs/dbraw/zinc/26/78/41/830267841.db2.gz XHGHGKPPBMRPMT-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123645 830268117 /nfs/dbraw/zinc/26/81/17/830268117.db2.gz XHGHGKPPBMRPMT-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2c[nH+]cc2C)C1=O ZINC001131380175 830465686 /nfs/dbraw/zinc/46/56/86/830465686.db2.gz FHOFEKGWQXHOBR-ZDUSSCGKSA-N 2 1 305.382 -0.316 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001133831265 830832883 /nfs/dbraw/zinc/83/28/83/830832883.db2.gz MPPWICUHGMDLPX-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134570011 830951114 /nfs/dbraw/zinc/95/11/14/830951114.db2.gz FHPGVNZQJQOODT-UHFFFAOYSA-N 2 1 305.382 -0.538 20 30 DBEDMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134723375 830971251 /nfs/dbraw/zinc/97/12/51/830971251.db2.gz GKXIXEWIQVVAGR-UHFFFAOYSA-N 2 1 320.397 -0.258 20 30 DBEDMP CCCCCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135437424 831070896 /nfs/dbraw/zinc/07/08/96/831070896.db2.gz SLMNWHZPJMJEEZ-UHFFFAOYSA-N 2 1 311.430 -0.156 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647442 833725790 /nfs/dbraw/zinc/72/57/90/833725790.db2.gz HWBHFMUTPRPMGN-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135882276 831131996 /nfs/dbraw/zinc/13/19/96/831131996.db2.gz JTGSZPFOQXTXOW-CHWSQXEVSA-N 2 1 311.430 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976944 831144253 /nfs/dbraw/zinc/14/42/53/831144253.db2.gz OLPLJALQKQHHLP-UONOGXRCSA-N 2 1 310.442 -0.050 20 30 DBEDMP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148647193 831468719 /nfs/dbraw/zinc/46/87/19/831468719.db2.gz QKFMMQLQBADWQH-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148647193 831468723 /nfs/dbraw/zinc/46/87/23/831468723.db2.gz QKFMMQLQBADWQH-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148647193 831468729 /nfs/dbraw/zinc/46/87/29/831468729.db2.gz QKFMMQLQBADWQH-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148647193 831468734 /nfs/dbraw/zinc/46/87/34/831468734.db2.gz QKFMMQLQBADWQH-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699477 831639475 /nfs/dbraw/zinc/63/94/75/831639475.db2.gz JAPDQDXWKSWLMB-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699477 831639477 /nfs/dbraw/zinc/63/94/77/831639477.db2.gz JAPDQDXWKSWLMB-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150699477 831639479 /nfs/dbraw/zinc/63/94/79/831639479.db2.gz JAPDQDXWKSWLMB-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150699477 831639481 /nfs/dbraw/zinc/63/94/81/831639481.db2.gz JAPDQDXWKSWLMB-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nccn2C)CC1 ZINC001152330244 831741395 /nfs/dbraw/zinc/74/13/95/831741395.db2.gz KAPHHFFAANPCOO-UHFFFAOYSA-N 2 1 303.410 -0.029 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824574 831837755 /nfs/dbraw/zinc/83/77/55/831837755.db2.gz UJBOVMXSHPBMDE-CZUORRHYSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](C1CC1)[NH+](C)C ZINC001153824574 831837763 /nfs/dbraw/zinc/83/77/63/831837763.db2.gz UJBOVMXSHPBMDE-CZUORRHYSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157113367 832022172 /nfs/dbraw/zinc/02/21/72/832022172.db2.gz IPVXXJAGEHTTSP-CQSZACIVSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113367 832022177 /nfs/dbraw/zinc/02/21/77/832022177.db2.gz IPVXXJAGEHTTSP-CQSZACIVSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157113367 832022184 /nfs/dbraw/zinc/02/21/84/832022184.db2.gz IPVXXJAGEHTTSP-CQSZACIVSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157113367 832022190 /nfs/dbraw/zinc/02/21/90/832022190.db2.gz IPVXXJAGEHTTSP-CQSZACIVSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158412085 832110141 /nfs/dbraw/zinc/11/01/41/832110141.db2.gz LUFFGKNOOZMYCH-QLFBSQMISA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001269115206 832141713 /nfs/dbraw/zinc/14/17/13/832141713.db2.gz HRDKNFXNLLCECH-HIFRSBDPSA-N 2 1 320.437 -0.438 20 30 DBEDMP C[N@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269428658 832432548 /nfs/dbraw/zinc/43/25/48/832432548.db2.gz QKNCNEKFXOXVOZ-ZDUSSCGKSA-N 2 1 321.425 -0.261 20 30 DBEDMP CC[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492866 832442081 /nfs/dbraw/zinc/44/20/81/832442081.db2.gz PYEODBYCIFGVHX-STQMWFEESA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nncn1C ZINC001270426727 832532593 /nfs/dbraw/zinc/53/25/93/832532593.db2.gz CLRKQSGTSRTCAQ-KGLIPLIRSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1nncn1C ZINC001270426727 832532595 /nfs/dbraw/zinc/53/25/95/832532595.db2.gz CLRKQSGTSRTCAQ-KGLIPLIRSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001270525061 832544080 /nfs/dbraw/zinc/54/40/80/832544080.db2.gz DCKKODUAXXRCQM-VXGBXAGGSA-N 2 1 305.382 -0.568 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271076525 832616029 /nfs/dbraw/zinc/61/60/29/832616029.db2.gz TURBCKNOHQBKMB-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[C@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271159085 832631350 /nfs/dbraw/zinc/63/13/50/832631350.db2.gz HNEGUDYQICCXGI-ZBFHGGJFSA-N 2 1 311.426 -0.471 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)C[C@H]2C1 ZINC001271841052 832706419 /nfs/dbraw/zinc/70/64/19/832706419.db2.gz YUQZCIGAHSPURY-QLFBSQMISA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271841052 832706422 /nfs/dbraw/zinc/70/64/22/832706422.db2.gz YUQZCIGAHSPURY-QLFBSQMISA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3C)C[C@H]2C1 ZINC001271841052 832706427 /nfs/dbraw/zinc/70/64/27/832706427.db2.gz YUQZCIGAHSPURY-QLFBSQMISA-N 2 1 318.421 -0.780 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271892180 832713628 /nfs/dbraw/zinc/71/36/28/832713628.db2.gz PTGOGOOJEPRYKI-OKILXGFUSA-N 2 1 321.425 -0.642 20 30 DBEDMP CCC[NH+](C)CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271892180 832713632 /nfs/dbraw/zinc/71/36/32/832713632.db2.gz PTGOGOOJEPRYKI-OKILXGFUSA-N 2 1 321.425 -0.642 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003554 832865430 /nfs/dbraw/zinc/86/54/30/832865430.db2.gz URARYCUFVBVDNE-ZDUSSCGKSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)COC)CCC1 ZINC001273099847 832878284 /nfs/dbraw/zinc/87/82/84/832878284.db2.gz FCYDKMKAGJVTSK-GJZGRUSLSA-N 2 1 323.437 -0.280 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)COC)CCC1 ZINC001273099847 832878294 /nfs/dbraw/zinc/87/82/94/832878294.db2.gz FCYDKMKAGJVTSK-GJZGRUSLSA-N 2 1 323.437 -0.280 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001160209524 832883371 /nfs/dbraw/zinc/88/33/71/832883371.db2.gz OSCMTVXBHPQNIB-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(C)C1=O ZINC001160209524 832883377 /nfs/dbraw/zinc/88/33/77/832883377.db2.gz OSCMTVXBHPQNIB-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001160197783 832883938 /nfs/dbraw/zinc/88/39/38/832883938.db2.gz GMBZWVZYSALGKW-KBPBESRZSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCNC1=O ZINC001160197783 832883945 /nfs/dbraw/zinc/88/39/45/832883945.db2.gz GMBZWVZYSALGKW-KBPBESRZSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001160197960 832883990 /nfs/dbraw/zinc/88/39/90/832883990.db2.gz POUKXYCELBGKIF-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)C1CC1 ZINC001160197960 832884005 /nfs/dbraw/zinc/88/40/05/832884005.db2.gz POUKXYCELBGKIF-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001160209829 832885625 /nfs/dbraw/zinc/88/56/25/832885625.db2.gz XTOBTDULDLDTDP-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001160209829 832885629 /nfs/dbraw/zinc/88/56/29/832885629.db2.gz XTOBTDULDLDTDP-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC(=O)NC)CC1 ZINC001273591125 832941647 /nfs/dbraw/zinc/94/16/47/832941647.db2.gz FPPWIVQUJZSGSU-UHFFFAOYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160867934 832955475 /nfs/dbraw/zinc/95/54/75/832955475.db2.gz IZYXYKMZYNNOLR-CABCVRRESA-N 2 1 320.437 -0.151 20 30 DBEDMP C=CCN1CC[C@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836080 832971207 /nfs/dbraw/zinc/97/12/07/832971207.db2.gz NDYGVOOAGJNXIR-KRWDZBQOSA-N 2 1 320.437 -0.129 20 30 DBEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001273866964 832975577 /nfs/dbraw/zinc/97/55/77/832975577.db2.gz OSLXGQWGLYOZQL-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001273866964 832975581 /nfs/dbraw/zinc/97/55/81/832975581.db2.gz OSLXGQWGLYOZQL-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)[C@H]1C ZINC001179303556 833543097 /nfs/dbraw/zinc/54/30/97/833543097.db2.gz HNULUBKAYCGQEM-ZQDZILKHSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001183354002 833714464 /nfs/dbraw/zinc/71/44/64/833714464.db2.gz LISWUCAMMQCUSJ-MCIONIFRSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001183354002 833714465 /nfs/dbraw/zinc/71/44/65/833714465.db2.gz LISWUCAMMQCUSJ-MCIONIFRSA-N 2 1 306.410 -0.591 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001184309965 833756497 /nfs/dbraw/zinc/75/64/97/833756497.db2.gz OQETXMIEVXTBOT-GFCCVEGCSA-N 2 1 304.354 -0.978 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185650566 833803187 /nfs/dbraw/zinc/80/31/87/833803187.db2.gz JDMUZXGHOCPZHD-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276798116 833898711 /nfs/dbraw/zinc/89/87/11/833898711.db2.gz BXQXPOKQNZFFQH-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001276976510 833915883 /nfs/dbraw/zinc/91/58/83/833915883.db2.gz CFSFVHBMEBXNJH-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001277087233 833925372 /nfs/dbraw/zinc/92/53/72/833925372.db2.gz BRYUYQREJNYUNI-MGPQQGTHSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001277113502 833926103 /nfs/dbraw/zinc/92/61/03/833926103.db2.gz HEITUAOVNKRERP-UHFFFAOYSA-N 2 1 303.366 -0.821 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277356240 833948447 /nfs/dbraw/zinc/94/84/47/833948447.db2.gz QUVCZSVUGCQKBL-CHWSQXEVSA-N 2 1 309.414 -0.548 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187842351 833953194 /nfs/dbraw/zinc/95/31/94/833953194.db2.gz KUXDHLIOOVCNFQ-CYBMUJFWSA-N 2 1 305.382 -0.316 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001187982633 833961418 /nfs/dbraw/zinc/96/14/18/833961418.db2.gz PDGAVRULJFEDIS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001187982633 833961419 /nfs/dbraw/zinc/96/14/19/833961419.db2.gz PDGAVRULJFEDIS-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979551 834033056 /nfs/dbraw/zinc/03/30/56/834033056.db2.gz QFCVTEUYTVPUSN-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C1 ZINC001188979551 834033064 /nfs/dbraw/zinc/03/30/64/834033064.db2.gz QFCVTEUYTVPUSN-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389145 834073150 /nfs/dbraw/zinc/07/31/50/834073150.db2.gz HOGXVAHCFDKEPH-UONOGXRCSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389145 834073154 /nfs/dbraw/zinc/07/31/54/834073154.db2.gz HOGXVAHCFDKEPH-UONOGXRCSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389145 834073162 /nfs/dbraw/zinc/07/31/62/834073162.db2.gz HOGXVAHCFDKEPH-UONOGXRCSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389145 834073169 /nfs/dbraw/zinc/07/31/69/834073169.db2.gz HOGXVAHCFDKEPH-UONOGXRCSA-N 2 1 306.410 -0.637 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388392 834073668 /nfs/dbraw/zinc/07/36/68/834073668.db2.gz FJGAQDJKNDRVNL-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388392 834073678 /nfs/dbraw/zinc/07/36/78/834073678.db2.gz FJGAQDJKNDRVNL-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189388392 834073686 /nfs/dbraw/zinc/07/36/86/834073686.db2.gz FJGAQDJKNDRVNL-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189388392 834073693 /nfs/dbraw/zinc/07/36/93/834073693.db2.gz FJGAQDJKNDRVNL-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@@H+](C)CC)[C@@H]2C1 ZINC001189659554 834103656 /nfs/dbraw/zinc/10/36/56/834103656.db2.gz CYDBRROGBHFMNZ-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)CC[N@H+](C)CC)[C@@H]2C1 ZINC001189659554 834103660 /nfs/dbraw/zinc/10/36/60/834103660.db2.gz CYDBRROGBHFMNZ-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189659554 834103665 /nfs/dbraw/zinc/10/36/65/834103665.db2.gz CYDBRROGBHFMNZ-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)CC)[C@@H]2C1 ZINC001189659554 834103669 /nfs/dbraw/zinc/10/36/69/834103669.db2.gz CYDBRROGBHFMNZ-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001190645700 834177469 /nfs/dbraw/zinc/17/74/69/834177469.db2.gz UZECFKCZEARRRS-CYBMUJFWSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)C1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001190645700 834177474 /nfs/dbraw/zinc/17/74/74/834177474.db2.gz UZECFKCZEARRRS-CYBMUJFWSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)C[C@H](O)COC)C1 ZINC001190722998 834183615 /nfs/dbraw/zinc/18/36/15/834183615.db2.gz HCDALKDMZZGZKJ-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C[C@H](O)COC)C1 ZINC001190722998 834183621 /nfs/dbraw/zinc/18/36/21/834183621.db2.gz HCDALKDMZZGZKJ-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C[C@H](O)COC)C1 ZINC001190722998 834183626 /nfs/dbraw/zinc/18/36/26/834183626.db2.gz HCDALKDMZZGZKJ-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C[C@H](O)COC)C1 ZINC001190722998 834183629 /nfs/dbraw/zinc/18/36/29/834183629.db2.gz HCDALKDMZZGZKJ-PMPSAXMXSA-N 2 1 323.437 -0.376 20 30 DBEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001191019150 834214036 /nfs/dbraw/zinc/21/40/36/834214036.db2.gz JQXLLXGRFFJPLW-ZDUSSCGKSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001191019150 834214040 /nfs/dbraw/zinc/21/40/40/834214040.db2.gz JQXLLXGRFFJPLW-ZDUSSCGKSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001191019150 834214045 /nfs/dbraw/zinc/21/40/45/834214045.db2.gz JQXLLXGRFFJPLW-ZDUSSCGKSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001191019150 834214049 /nfs/dbraw/zinc/21/40/49/834214049.db2.gz JQXLLXGRFFJPLW-ZDUSSCGKSA-N 2 1 323.441 -0.111 20 30 DBEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001191999871 834315454 /nfs/dbraw/zinc/31/54/54/834315454.db2.gz YVGDRVMGFFFBNB-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CC1(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001191999871 834315464 /nfs/dbraw/zinc/31/54/64/834315464.db2.gz YVGDRVMGFFFBNB-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192008378 834316609 /nfs/dbraw/zinc/31/66/09/834316609.db2.gz WYFYHNCOVMFSNZ-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192008378 834316617 /nfs/dbraw/zinc/31/66/17/834316617.db2.gz WYFYHNCOVMFSNZ-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046281 834321455 /nfs/dbraw/zinc/32/14/55/834321455.db2.gz MGUAHGQPJJWJIG-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189798 834340477 /nfs/dbraw/zinc/34/04/77/834340477.db2.gz HRRPHHJHQJCSOT-GDBMZVCRSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189798 834340483 /nfs/dbraw/zinc/34/04/83/834340483.db2.gz HRRPHHJHQJCSOT-GDBMZVCRSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960046 834446807 /nfs/dbraw/zinc/44/68/07/834446807.db2.gz MFUJQORXOBDIDY-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192960045 834447617 /nfs/dbraw/zinc/44/76/17/834447617.db2.gz MFUJQORXOBDIDY-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280248 834479667 /nfs/dbraw/zinc/47/96/67/834479667.db2.gz VJBWZXFKRLATNP-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280248 834479669 /nfs/dbraw/zinc/47/96/69/834479669.db2.gz VJBWZXFKRLATNP-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280248 834479673 /nfs/dbraw/zinc/47/96/73/834479673.db2.gz VJBWZXFKRLATNP-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193280250 834480304 /nfs/dbraw/zinc/48/03/04/834480304.db2.gz VJBWZXFKRLATNP-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280250 834480309 /nfs/dbraw/zinc/48/03/09/834480309.db2.gz VJBWZXFKRLATNP-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193280250 834480315 /nfs/dbraw/zinc/48/03/15/834480315.db2.gz VJBWZXFKRLATNP-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468166 834499284 /nfs/dbraw/zinc/49/92/84/834499284.db2.gz BETGTNVGNVXKMN-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468166 834499286 /nfs/dbraw/zinc/49/92/86/834499286.db2.gz BETGTNVGNVXKMN-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469491 834501629 /nfs/dbraw/zinc/50/16/29/834501629.db2.gz RGBRNRRTGXKFRL-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469491 834501636 /nfs/dbraw/zinc/50/16/36/834501636.db2.gz RGBRNRRTGXKFRL-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001251847394 834508248 /nfs/dbraw/zinc/50/82/48/834508248.db2.gz FCFHQIWCGXMNIS-AWEZNQCLSA-N 2 1 300.399 -0.186 20 30 DBEDMP C#CCOC[C@@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001251847394 834508257 /nfs/dbraw/zinc/50/82/57/834508257.db2.gz FCFHQIWCGXMNIS-AWEZNQCLSA-N 2 1 300.399 -0.186 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002312 834555157 /nfs/dbraw/zinc/55/51/57/834555157.db2.gz QZEVKTRGDUYDSV-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002312 834555165 /nfs/dbraw/zinc/55/51/65/834555165.db2.gz QZEVKTRGDUYDSV-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002312 834555172 /nfs/dbraw/zinc/55/51/72/834555172.db2.gz QZEVKTRGDUYDSV-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002312 834555174 /nfs/dbraw/zinc/55/51/74/834555174.db2.gz QZEVKTRGDUYDSV-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041219 834561133 /nfs/dbraw/zinc/56/11/33/834561133.db2.gz VTNAUYBXUFOCAQ-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041220 834562190 /nfs/dbraw/zinc/56/21/90/834562190.db2.gz VTNAUYBXUFOCAQ-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293684 834587517 /nfs/dbraw/zinc/58/75/17/834587517.db2.gz ILBOKCQLLKIWIT-HUUCEWRRSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293684 834587532 /nfs/dbraw/zinc/58/75/32/834587532.db2.gz ILBOKCQLLKIWIT-HUUCEWRRSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293684 834587536 /nfs/dbraw/zinc/58/75/36/834587536.db2.gz ILBOKCQLLKIWIT-HUUCEWRRSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293688 834588293 /nfs/dbraw/zinc/58/82/93/834588293.db2.gz ILBOKCQLLKIWIT-LSDHHAIUSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293688 834588295 /nfs/dbraw/zinc/58/82/95/834588295.db2.gz ILBOKCQLLKIWIT-LSDHHAIUSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293688 834588297 /nfs/dbraw/zinc/58/82/97/834588297.db2.gz ILBOKCQLLKIWIT-LSDHHAIUSA-N 2 1 322.453 -0.003 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252342 834772277 /nfs/dbraw/zinc/77/22/77/834772277.db2.gz ZNAZSBKXUWEHPT-BZUAXINKSA-N 2 1 323.437 -0.328 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196252342 834772287 /nfs/dbraw/zinc/77/22/87/834772287.db2.gz ZNAZSBKXUWEHPT-BZUAXINKSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298828 834775865 /nfs/dbraw/zinc/77/58/65/834775865.db2.gz CMLKBRHFZPEEJP-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196298828 834775869 /nfs/dbraw/zinc/77/58/69/834775869.db2.gz CMLKBRHFZPEEJP-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196306436 834777601 /nfs/dbraw/zinc/77/76/01/834777601.db2.gz BVGOZDZRGHWJOJ-BZUAXINKSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954171 834820932 /nfs/dbraw/zinc/82/09/32/834820932.db2.gz RDKRZWIFWHGSEE-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196954171 834820939 /nfs/dbraw/zinc/82/09/39/834820939.db2.gz RDKRZWIFWHGSEE-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817530 834906782 /nfs/dbraw/zinc/90/67/82/834906782.db2.gz KYZKPDOIDZSORP-UHFFFAOYSA-N 2 1 311.426 -0.251 20 30 DBEDMP COCC#CC[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197817530 834906791 /nfs/dbraw/zinc/90/67/91/834906791.db2.gz KYZKPDOIDZSORP-UHFFFAOYSA-N 2 1 311.426 -0.251 20 30 DBEDMP C#CC[NH2+]CC(=O)NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC001263103082 834973053 /nfs/dbraw/zinc/97/30/53/834973053.db2.gz NMSTWJDHLQZGFD-UHFFFAOYSA-N 2 1 316.409 -0.672 20 30 DBEDMP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2cnc[nH]2)C1 ZINC001263845505 834989752 /nfs/dbraw/zinc/98/97/52/834989752.db2.gz OMELWRBRWWPUHW-PHIMTYICSA-N 2 1 304.354 -0.924 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001263851840 834990556 /nfs/dbraw/zinc/99/05/56/834990556.db2.gz WNVWTILPPIDGAB-OWCLPIDISA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001263851840 834990565 /nfs/dbraw/zinc/99/05/65/834990565.db2.gz WNVWTILPPIDGAB-OWCLPIDISA-N 2 1 323.437 -0.159 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001263933446 834997274 /nfs/dbraw/zinc/99/72/74/834997274.db2.gz ZEYPEGCDYDRUKF-UONOGXRCSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264080051 835008802 /nfs/dbraw/zinc/00/88/02/835008802.db2.gz FJSJKGJQDVBHKW-MRXNPFEDSA-N 2 1 323.437 -0.373 20 30 DBEDMP C#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264080051 835008813 /nfs/dbraw/zinc/00/88/13/835008813.db2.gz FJSJKGJQDVBHKW-MRXNPFEDSA-N 2 1 323.437 -0.373 20 30 DBEDMP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264104456 835010227 /nfs/dbraw/zinc/01/02/27/835010227.db2.gz AEGJHWBGCWJTJT-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264104456 835010238 /nfs/dbraw/zinc/01/02/38/835010238.db2.gz AEGJHWBGCWJTJT-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264104456 835010248 /nfs/dbraw/zinc/01/02/48/835010248.db2.gz AEGJHWBGCWJTJT-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264104456 835010259 /nfs/dbraw/zinc/01/02/59/835010259.db2.gz AEGJHWBGCWJTJT-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001264424883 835030543 /nfs/dbraw/zinc/03/05/43/835030543.db2.gz XWDVYOBAKYKVFP-FPCVCCKLSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001264424883 835030547 /nfs/dbraw/zinc/03/05/47/835030547.db2.gz XWDVYOBAKYKVFP-FPCVCCKLSA-N 2 1 323.437 -0.424 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264455178 835032912 /nfs/dbraw/zinc/03/29/12/835032912.db2.gz ZCPMLENWRQQJCB-BFHYXJOUSA-N 2 1 321.425 -0.405 20 30 DBEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264662889 835046551 /nfs/dbraw/zinc/04/65/51/835046551.db2.gz RFRDTYIIEILATJ-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264662889 835046546 /nfs/dbraw/zinc/04/65/46/835046546.db2.gz RFRDTYIIEILATJ-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264662889 835046558 /nfs/dbraw/zinc/04/65/58/835046558.db2.gz RFRDTYIIEILATJ-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264662889 835046567 /nfs/dbraw/zinc/04/65/67/835046567.db2.gz RFRDTYIIEILATJ-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200180660 835103730 /nfs/dbraw/zinc/10/37/30/835103730.db2.gz AWGIFEALYMHYNI-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200180660 835103732 /nfs/dbraw/zinc/10/37/32/835103732.db2.gz AWGIFEALYMHYNI-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001265743530 835167485 /nfs/dbraw/zinc/16/74/85/835167485.db2.gz SRNOIRGJKOMWHJ-UHFFFAOYSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001201093704 835168214 /nfs/dbraw/zinc/16/82/14/835168214.db2.gz HQZRDYZPZLRBNT-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)N(C)C)CC1 ZINC001201093704 835168219 /nfs/dbraw/zinc/16/82/19/835168219.db2.gz HQZRDYZPZLRBNT-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265784044 835172322 /nfs/dbraw/zinc/17/23/22/835172322.db2.gz UOTBKDKWONXHIM-STQMWFEESA-N 2 1 308.426 -0.297 20 30 DBEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001265832564 835180020 /nfs/dbraw/zinc/18/00/20/835180020.db2.gz MTDNUYNOHOSWLG-LBPRGKRZSA-N 2 1 320.397 -0.259 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001265923434 835199322 /nfs/dbraw/zinc/19/93/22/835199322.db2.gz QUDVQGPVHTZORO-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265923434 835199324 /nfs/dbraw/zinc/19/93/24/835199324.db2.gz QUDVQGPVHTZORO-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001265923434 835199327 /nfs/dbraw/zinc/19/93/27/835199327.db2.gz QUDVQGPVHTZORO-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639368 835200489 /nfs/dbraw/zinc/20/04/89/835200489.db2.gz JMTSORQFDRAWAU-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265967802 835209967 /nfs/dbraw/zinc/20/99/67/835209967.db2.gz YUEYAWZTFRIBSY-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265967802 835209969 /nfs/dbraw/zinc/20/99/69/835209969.db2.gz YUEYAWZTFRIBSY-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266026847 835219345 /nfs/dbraw/zinc/21/93/45/835219345.db2.gz SXMCJKRXPZRFKP-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266041591 835221706 /nfs/dbraw/zinc/22/17/06/835221706.db2.gz YHISPMKMMJEBFZ-CYBMUJFWSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202114715 835234213 /nfs/dbraw/zinc/23/42/13/835234213.db2.gz ALMKPVKPUCUGJN-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202114715 835234218 /nfs/dbraw/zinc/23/42/18/835234218.db2.gz ALMKPVKPUCUGJN-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266191883 835246358 /nfs/dbraw/zinc/24/63/58/835246358.db2.gz MAJJAJDXJKOJCQ-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001202495273 835252225 /nfs/dbraw/zinc/25/22/25/835252225.db2.gz BXIASMLBIMBGIW-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001203692508 835304327 /nfs/dbraw/zinc/30/43/27/835304327.db2.gz GGWMTYVWTCLWAM-ZDUSSCGKSA-N 2 1 306.410 -0.732 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203692078 835304343 /nfs/dbraw/zinc/30/43/43/835304343.db2.gz DARCUGWDQPYGKD-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551280 835334467 /nfs/dbraw/zinc/33/44/67/835334467.db2.gz OVEHZXIVPRAJBK-HUUCEWRRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551280 835334477 /nfs/dbraw/zinc/33/44/77/835334477.db2.gz OVEHZXIVPRAJBK-HUUCEWRRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551280 835334486 /nfs/dbraw/zinc/33/44/86/835334486.db2.gz OVEHZXIVPRAJBK-HUUCEWRRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266599694 835344164 /nfs/dbraw/zinc/34/41/64/835344164.db2.gz TWBXAZOHVALHMI-MGPQQGTHSA-N 2 1 321.425 -0.263 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266699870 835363938 /nfs/dbraw/zinc/36/39/38/835363938.db2.gz QYLFKUVMMMUZDG-CYBMUJFWSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC=C ZINC001266728577 835370348 /nfs/dbraw/zinc/37/03/48/835370348.db2.gz CKSFOTWQHQGNMB-AWEZNQCLSA-N 2 1 306.410 -0.566 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266752072 835376918 /nfs/dbraw/zinc/37/69/18/835376918.db2.gz NRJIJCSVPMTKBR-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001206794753 835416084 /nfs/dbraw/zinc/41/60/84/835416084.db2.gz RTKZEELBGVUPBO-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255919 835470564 /nfs/dbraw/zinc/47/05/64/835470564.db2.gz SETDYBCCINMTDV-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001267255919 835470568 /nfs/dbraw/zinc/47/05/68/835470568.db2.gz SETDYBCCINMTDV-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCOCCO)C1 ZINC001267296239 835479355 /nfs/dbraw/zinc/47/93/55/835479355.db2.gz JLWBQTXFJYCOAS-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCOCCO)C1 ZINC001267296239 835479360 /nfs/dbraw/zinc/47/93/60/835479360.db2.gz JLWBQTXFJYCOAS-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267296239 835479364 /nfs/dbraw/zinc/47/93/64/835479364.db2.gz JLWBQTXFJYCOAS-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCOCCO)C1 ZINC001267296239 835479366 /nfs/dbraw/zinc/47/93/66/835479366.db2.gz JLWBQTXFJYCOAS-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001267374855 835496573 /nfs/dbraw/zinc/49/65/73/835496573.db2.gz ORPBMYIGCRFPOB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001267604855 835537824 /nfs/dbraw/zinc/53/78/24/835537824.db2.gz GSJJJFFDBJVNKK-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001267604855 835537827 /nfs/dbraw/zinc/53/78/27/835537827.db2.gz GSJJJFFDBJVNKK-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001267604855 835537829 /nfs/dbraw/zinc/53/78/29/835537829.db2.gz GSJJJFFDBJVNKK-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267709547 835572102 /nfs/dbraw/zinc/57/21/02/835572102.db2.gz XGUCGVCNUQKYAP-AWEZNQCLSA-N 2 1 317.393 -0.587 20 30 DBEDMP C#CCNC(=O)CN(C)C[C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267709547 835572110 /nfs/dbraw/zinc/57/21/10/835572110.db2.gz XGUCGVCNUQKYAP-AWEZNQCLSA-N 2 1 317.393 -0.587 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267859238 835606642 /nfs/dbraw/zinc/60/66/42/835606642.db2.gz JCCSRBBVEKYIIT-CZUORRHYSA-N 2 1 321.425 -0.405 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001267969973 835614659 /nfs/dbraw/zinc/61/46/59/835614659.db2.gz ORWGVSBAIORAFB-CYBMUJFWSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001267995082 835617810 /nfs/dbraw/zinc/61/78/10/835617810.db2.gz BTHXRTLWSODDFL-GXTWGEPZSA-N 2 1 319.409 -0.329 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001268353288 835675118 /nfs/dbraw/zinc/67/51/18/835675118.db2.gz DYEVBTGNRYUUEH-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001268353288 835675121 /nfs/dbraw/zinc/67/51/21/835675121.db2.gz DYEVBTGNRYUUEH-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268353287 835675340 /nfs/dbraw/zinc/67/53/40/835675340.db2.gz DYEVBTGNRYUUEH-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268353287 835675342 /nfs/dbraw/zinc/67/53/42/835675342.db2.gz DYEVBTGNRYUUEH-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268812107 835813699 /nfs/dbraw/zinc/81/36/99/835813699.db2.gz RFYXHQRSXQFWAD-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349042 1013150443 /nfs/dbraw/zinc/15/04/43/1013150443.db2.gz CMOMXLPGUSVGIQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349042 1013150458 /nfs/dbraw/zinc/15/04/58/1013150458.db2.gz CMOMXLPGUSVGIQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485349042 1013150463 /nfs/dbraw/zinc/15/04/63/1013150463.db2.gz CMOMXLPGUSVGIQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485349042 1013150477 /nfs/dbraw/zinc/15/04/77/1013150477.db2.gz CMOMXLPGUSVGIQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485352091 1013151338 /nfs/dbraw/zinc/15/13/38/1013151338.db2.gz XMGYIAJLSXETQU-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485352091 1013151354 /nfs/dbraw/zinc/15/13/54/1013151354.db2.gz XMGYIAJLSXETQU-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485352091 1013151376 /nfs/dbraw/zinc/15/13/76/1013151376.db2.gz XMGYIAJLSXETQU-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485352091 1013151388 /nfs/dbraw/zinc/15/13/88/1013151388.db2.gz XMGYIAJLSXETQU-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485373015 1013166502 /nfs/dbraw/zinc/16/65/02/1013166502.db2.gz IAJKCJIHWNGKEM-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485373015 1013166509 /nfs/dbraw/zinc/16/65/09/1013166509.db2.gz IAJKCJIHWNGKEM-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373015 1013166515 /nfs/dbraw/zinc/16/65/15/1013166515.db2.gz IAJKCJIHWNGKEM-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373015 1013166524 /nfs/dbraw/zinc/16/65/24/1013166524.db2.gz IAJKCJIHWNGKEM-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486129544 1013689895 /nfs/dbraw/zinc/68/98/95/1013689895.db2.gz QPPJRPQXPIHHQP-WCQYABFASA-N 2 1 318.381 -0.590 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001486129545 1013690811 /nfs/dbraw/zinc/69/08/11/1013690811.db2.gz QPPJRPQXPIHHQP-YPMHNXCESA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001486278311 1013777884 /nfs/dbraw/zinc/77/78/84/1013777884.db2.gz NBSGVDIHSPLRQL-WFASDCNBSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001486278311 1013777898 /nfs/dbraw/zinc/77/78/98/1013777898.db2.gz NBSGVDIHSPLRQL-WFASDCNBSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@@H+]2C)[nH]n1 ZINC001486278301 1013778937 /nfs/dbraw/zinc/77/89/37/1013778937.db2.gz NBSGVDIHSPLRQL-DOMZBBRYSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc([C@@H]2CCC[N@H+]2C)[nH]n1 ZINC001486278301 1013778942 /nfs/dbraw/zinc/77/89/42/1013778942.db2.gz NBSGVDIHSPLRQL-DOMZBBRYSA-N 2 1 319.409 -0.168 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117029 977657322 /nfs/dbraw/zinc/65/73/22/977657322.db2.gz DKVJVYVZZNWGEF-LSDHHAIUSA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117029 977657334 /nfs/dbraw/zinc/65/73/34/977657334.db2.gz DKVJVYVZZNWGEF-LSDHHAIUSA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689020 978238045 /nfs/dbraw/zinc/23/80/45/978238045.db2.gz VGYBQECVDHLUJQ-STQMWFEESA-N 2 1 307.398 -0.699 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207737634 978249424 /nfs/dbraw/zinc/24/94/24/978249424.db2.gz ISYHCEDFNISDJS-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207737634 978249433 /nfs/dbraw/zinc/24/94/33/978249433.db2.gz ISYHCEDFNISDJS-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208352875 978350857 /nfs/dbraw/zinc/35/08/57/978350857.db2.gz RJMXPPMVOKQKGK-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208352875 978350866 /nfs/dbraw/zinc/35/08/66/978350866.db2.gz RJMXPPMVOKQKGK-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423479 978362777 /nfs/dbraw/zinc/36/27/77/978362777.db2.gz LJBAGFBQVJMLQU-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441438 978370311 /nfs/dbraw/zinc/37/03/11/978370311.db2.gz GFKYPKCKOGXGQO-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441438 978370317 /nfs/dbraw/zinc/37/03/17/978370317.db2.gz GFKYPKCKOGXGQO-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209633789 978465267 /nfs/dbraw/zinc/46/52/67/978465267.db2.gz XYNDFWWKVNBVBZ-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641342 978468979 /nfs/dbraw/zinc/46/89/79/978468979.db2.gz ISMLRFXCGMQFBW-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147076 978498190 /nfs/dbraw/zinc/49/81/90/978498190.db2.gz ZCIYYMZQYRMVKQ-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[N@H+](C)CC)C1 ZINC001210494769 978515693 /nfs/dbraw/zinc/51/56/93/978515693.db2.gz XQAJFALROVTCNY-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065515 978552809 /nfs/dbraw/zinc/55/28/09/978552809.db2.gz WCGCUNGKCHSIGQ-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064244 978554200 /nfs/dbraw/zinc/55/42/00/978554200.db2.gz LLGZUZNILXVWOD-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177532 978559180 /nfs/dbraw/zinc/55/91/80/978559180.db2.gz WZPCGJSMXMJZMQ-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177532 978559182 /nfs/dbraw/zinc/55/91/82/978559182.db2.gz WZPCGJSMXMJZMQ-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001215001269 978758849 /nfs/dbraw/zinc/75/88/49/978758849.db2.gz BOAOYEBSSPYHCT-CHWSQXEVSA-N 2 1 323.441 -0.207 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216499838 978787358 /nfs/dbraw/zinc/78/73/58/978787358.db2.gz TXKQEIDCRBAUGD-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCOCC)C[C@@H]1O ZINC001219821162 979023580 /nfs/dbraw/zinc/02/35/80/979023580.db2.gz CNXQFPCQHYIWOZ-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](O)C1 ZINC001219846807 979030908 /nfs/dbraw/zinc/03/09/08/979030908.db2.gz FHFLPSVUVWTFKT-ILXRZTDVSA-N 2 1 313.442 -0.064 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388079 979187334 /nfs/dbraw/zinc/18/73/34/979187334.db2.gz ZNAZSBKXUWEHPT-XHSDSOJGSA-N 2 1 323.437 -0.328 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388079 979187335 /nfs/dbraw/zinc/18/73/35/979187335.db2.gz ZNAZSBKXUWEHPT-XHSDSOJGSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](N)CN1CCC([NH3+])CC1 ZINC001220868446 979311407 /nfs/dbraw/zinc/31/14/07/979311407.db2.gz JYCRLOHSRCNFAE-LSDHHAIUSA-N 2 1 309.458 -0.497 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788081 979462507 /nfs/dbraw/zinc/46/25/07/979462507.db2.gz GSYFBFBYHLJELO-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221788081 979462514 /nfs/dbraw/zinc/46/25/14/979462514.db2.gz GSYFBFBYHLJELO-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP CC[N@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225087335 979593133 /nfs/dbraw/zinc/59/31/33/979593133.db2.gz BHLAHMJGAGAFPP-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225087335 979593140 /nfs/dbraw/zinc/59/31/40/979593140.db2.gz BHLAHMJGAGAFPP-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001331074826 979854150 /nfs/dbraw/zinc/85/41/50/979854150.db2.gz OOEJXFYMLHRFGW-UHFFFAOYSA-N 2 1 317.393 -0.445 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](CO)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001331712880 979893880 /nfs/dbraw/zinc/89/38/80/979893880.db2.gz VBIXGVHPBULCKC-SOUVJXGZSA-N 2 1 311.426 -0.567 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001349243487 980439943 /nfs/dbraw/zinc/43/99/43/980439943.db2.gz RBMSAUALPXJFNS-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC001349243487 980439950 /nfs/dbraw/zinc/43/99/50/980439950.db2.gz RBMSAUALPXJFNS-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001349243487 980439957 /nfs/dbraw/zinc/43/99/57/980439957.db2.gz RBMSAUALPXJFNS-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001349243487 980439964 /nfs/dbraw/zinc/43/99/64/980439964.db2.gz RBMSAUALPXJFNS-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001349243487 980439976 /nfs/dbraw/zinc/43/99/76/980439976.db2.gz RBMSAUALPXJFNS-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001489155951 1014690950 /nfs/dbraw/zinc/69/09/50/1014690950.db2.gz PIIMRNVOUZHJFP-HUUCEWRRSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001489155951 1014690964 /nfs/dbraw/zinc/69/09/64/1014690964.db2.gz PIIMRNVOUZHJFP-HUUCEWRRSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001489155951 1014690973 /nfs/dbraw/zinc/69/09/73/1014690973.db2.gz PIIMRNVOUZHJFP-HUUCEWRRSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001489155951 1014690981 /nfs/dbraw/zinc/69/09/81/1014690981.db2.gz PIIMRNVOUZHJFP-HUUCEWRRSA-N 2 1 311.426 -0.212 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+](CC)CC)C1 ZINC001530511900 1014722843 /nfs/dbraw/zinc/72/28/43/1014722843.db2.gz NQRAEZSDNRYBGQ-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490280272 1014919823 /nfs/dbraw/zinc/91/98/23/1014919823.db2.gz WEXPZEMTXIYEAN-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490356633 1014940493 /nfs/dbraw/zinc/94/04/93/1014940493.db2.gz JOKPLPZVWLUIKY-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490356633 1014940504 /nfs/dbraw/zinc/94/05/04/1014940504.db2.gz JOKPLPZVWLUIKY-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490356633 1014940514 /nfs/dbraw/zinc/94/05/14/1014940514.db2.gz JOKPLPZVWLUIKY-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490421349 1014961566 /nfs/dbraw/zinc/96/15/66/1014961566.db2.gz SDRAAKOGCCEIDI-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP CN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490421349 1014961576 /nfs/dbraw/zinc/96/15/76/1014961576.db2.gz SDRAAKOGCCEIDI-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334528 1015360135 /nfs/dbraw/zinc/36/01/35/1015360135.db2.gz KASJUZOYQYKPRC-SEBNEYGDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491334528 1015360146 /nfs/dbraw/zinc/36/01/46/1015360146.db2.gz KASJUZOYQYKPRC-SEBNEYGDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491334528 1015360156 /nfs/dbraw/zinc/36/01/56/1015360156.db2.gz KASJUZOYQYKPRC-SEBNEYGDSA-N 2 1 320.437 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001491487078 1015449991 /nfs/dbraw/zinc/44/99/91/1015449991.db2.gz UFBXZGYCHQSGHJ-KBPBESRZSA-N 2 1 304.398 -0.530 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCn1cncn1 ZINC001491487078 1015449998 /nfs/dbraw/zinc/44/99/98/1015449998.db2.gz UFBXZGYCHQSGHJ-KBPBESRZSA-N 2 1 304.398 -0.530 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001491820727 1015640381 /nfs/dbraw/zinc/64/03/81/1015640381.db2.gz ZTSNHSDYFAPPBO-AWEZNQCLSA-N 2 1 319.409 -0.068 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001493186779 1015864967 /nfs/dbraw/zinc/86/49/67/1015864967.db2.gz ZQTUWUFFISIXIW-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493186779 1015864971 /nfs/dbraw/zinc/86/49/71/1015864971.db2.gz ZQTUWUFFISIXIW-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493186779 1015864976 /nfs/dbraw/zinc/86/49/76/1015864976.db2.gz ZQTUWUFFISIXIW-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446005 1015934580 /nfs/dbraw/zinc/93/45/80/1015934580.db2.gz UTQNJAVJOGJSCO-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446005 1015934573 /nfs/dbraw/zinc/93/45/73/1015934573.db2.gz UTQNJAVJOGJSCO-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446005 1015934560 /nfs/dbraw/zinc/93/45/60/1015934560.db2.gz UTQNJAVJOGJSCO-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446005 1015934546 /nfs/dbraw/zinc/93/45/46/1015934546.db2.gz UTQNJAVJOGJSCO-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001494786594 1016424702 /nfs/dbraw/zinc/42/47/02/1016424702.db2.gz IQVYOFJEMLNYBF-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001494786594 1016424706 /nfs/dbraw/zinc/42/47/06/1016424706.db2.gz IQVYOFJEMLNYBF-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001494786594 1016424708 /nfs/dbraw/zinc/42/47/08/1016424708.db2.gz IQVYOFJEMLNYBF-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001494786594 1016424710 /nfs/dbraw/zinc/42/47/10/1016424710.db2.gz IQVYOFJEMLNYBF-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001495023518 1016523906 /nfs/dbraw/zinc/52/39/06/1016523906.db2.gz KQDDOFIAOVTUTB-ZIAGYGMSSA-N 2 1 319.409 -0.186 20 30 DBEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001419062671 1004793792 /nfs/dbraw/zinc/79/37/92/1004793792.db2.gz BMDAAQZIWMPBPD-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001419062671 1004793796 /nfs/dbraw/zinc/79/37/96/1004793796.db2.gz BMDAAQZIWMPBPD-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC001496582176 1016957753 /nfs/dbraw/zinc/95/77/53/1016957753.db2.gz CMPCJKCAVAYRSD-CYBMUJFWSA-N 2 1 320.397 -0.438 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001445648566 1008413572 /nfs/dbraw/zinc/41/35/72/1008413572.db2.gz NLAMCVSGRSASAM-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001479303046 1010243769 /nfs/dbraw/zinc/24/37/69/1010243769.db2.gz UREXBRUIRKGKMM-QLFBSQMISA-N 2 1 320.437 -0.296 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480083639 1010526429 /nfs/dbraw/zinc/52/64/29/1010526429.db2.gz GKWFPMFHMHNRQJ-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480153164 1010559244 /nfs/dbraw/zinc/55/92/44/1010559244.db2.gz IDNCULMUOOGTBF-AAVRWANBSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480196272 1010570798 /nfs/dbraw/zinc/57/07/98/1010570798.db2.gz IDNCULMUOOGTBF-MQYQWHSLSA-N 2 1 306.410 -0.545 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481251448 1010875088 /nfs/dbraw/zinc/87/50/88/1010875088.db2.gz AQUQBFLRPHCTGS-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001481257248 1010876538 /nfs/dbraw/zinc/87/65/38/1010876538.db2.gz BFSVSGQZDJNVFO-ZDUSSCGKSA-N 2 1 305.382 -0.623 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CN(CC#CCOC)C2)C1 ZINC001481660623 1010954743 /nfs/dbraw/zinc/95/47/43/1010954743.db2.gz GJKRRIORXNLJJG-HNNXBMFYSA-N 2 1 309.410 -0.595 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774316 1010995643 /nfs/dbraw/zinc/99/56/43/1010995643.db2.gz JLGAMKOZWPNZTQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774316 1010995646 /nfs/dbraw/zinc/99/56/46/1010995646.db2.gz JLGAMKOZWPNZTQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482309611 1011114848 /nfs/dbraw/zinc/11/48/48/1011114848.db2.gz DMUZTINQKAHFLC-LBPRGKRZSA-N 2 1 307.398 -0.070 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482310546 1011115144 /nfs/dbraw/zinc/11/51/44/1011115144.db2.gz XFUURZFAQAVFTO-LLVKDONJSA-N 2 1 306.370 -0.732 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482317848 1011116649 /nfs/dbraw/zinc/11/66/49/1011116649.db2.gz CTQPLRWBUSLPQD-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353992 1011125941 /nfs/dbraw/zinc/12/59/41/1011125941.db2.gz MVINSMWKTUPYBT-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354860 1011128186 /nfs/dbraw/zinc/12/81/86/1011128186.db2.gz UWKRABBMSVRXCD-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482648948 1011249217 /nfs/dbraw/zinc/24/92/17/1011249217.db2.gz CHLJGQDRMZMROQ-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482648948 1011249233 /nfs/dbraw/zinc/24/92/33/1011249233.db2.gz CHLJGQDRMZMROQ-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCC[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001482760950 1011398042 /nfs/dbraw/zinc/39/80/42/1011398042.db2.gz BIARMIMGRPQGAH-UKRRQHHQSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482962798 1011561851 /nfs/dbraw/zinc/56/18/51/1011561851.db2.gz BHNTWIMCIJYZAM-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001483081598 1011668940 /nfs/dbraw/zinc/66/89/40/1011668940.db2.gz APLZXEMLERIERF-NNTXTVRGSA-N 2 1 306.410 -0.660 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483096506 1011685659 /nfs/dbraw/zinc/68/56/59/1011685659.db2.gz CDGFXSSLCFMPCZ-NNTXTVRGSA-N 2 1 321.425 -0.237 20 30 DBEDMP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483272449 1011822887 /nfs/dbraw/zinc/82/28/87/1011822887.db2.gz YAKIQGOKLQCODN-UONOGXRCSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483466803 1011883404 /nfs/dbraw/zinc/88/34/04/1011883404.db2.gz PZWPJVLHQVLXQP-RRFJBIMHSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001483952370 1012226629 /nfs/dbraw/zinc/22/66/29/1012226629.db2.gz VPZVEKQAHNOATA-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001484252564 1012463396 /nfs/dbraw/zinc/46/33/96/1012463396.db2.gz VGWMHSDSWHIITJ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001484252564 1012463405 /nfs/dbraw/zinc/46/34/05/1012463405.db2.gz VGWMHSDSWHIITJ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001484252564 1012463409 /nfs/dbraw/zinc/46/34/09/1012463409.db2.gz VGWMHSDSWHIITJ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001484252564 1012463418 /nfs/dbraw/zinc/46/34/18/1012463418.db2.gz VGWMHSDSWHIITJ-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484927140 1012896676 /nfs/dbraw/zinc/89/66/76/1012896676.db2.gz IZCIQNZOTRSWFT-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177652 1013036953 /nfs/dbraw/zinc/03/69/53/1013036953.db2.gz QZZHFMMPLYOODZ-QWHCGFSZSA-N 2 1 307.398 -0.023 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC#CCOC ZINC001496991718 1017174906 /nfs/dbraw/zinc/17/49/06/1017174906.db2.gz MOQJRJQPYQKHFH-GJZGRUSLSA-N 2 1 311.426 -0.423 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374905 1017757752 /nfs/dbraw/zinc/75/77/52/1017757752.db2.gz JIHXBGPDLNEZFG-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374905 1017757773 /nfs/dbraw/zinc/75/77/73/1017757773.db2.gz JIHXBGPDLNEZFG-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427863 1017801275 /nfs/dbraw/zinc/80/12/75/1017801275.db2.gz IUIJMNHXJPZMQQ-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427863 1017801276 /nfs/dbraw/zinc/80/12/76/1017801276.db2.gz IUIJMNHXJPZMQQ-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427857 1017802006 /nfs/dbraw/zinc/80/20/06/1017802006.db2.gz IUIJMNHXJPZMQQ-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427857 1017802007 /nfs/dbraw/zinc/80/20/07/1017802007.db2.gz IUIJMNHXJPZMQQ-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001500565915 1018353971 /nfs/dbraw/zinc/35/39/71/1018353971.db2.gz WJOLTQRQIJIEFN-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001500565915 1018353982 /nfs/dbraw/zinc/35/39/82/1018353982.db2.gz WJOLTQRQIJIEFN-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500706631 1018420279 /nfs/dbraw/zinc/42/02/79/1018420279.db2.gz KGDYURCDOZTOJZ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706631 1018420284 /nfs/dbraw/zinc/42/02/84/1018420284.db2.gz KGDYURCDOZTOJZ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706631 1018420288 /nfs/dbraw/zinc/42/02/88/1018420288.db2.gz KGDYURCDOZTOJZ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502086305 1018986125 /nfs/dbraw/zinc/98/61/25/1018986125.db2.gz BZYBKCZHPURCFB-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001503263434 1019242111 /nfs/dbraw/zinc/24/21/11/1019242111.db2.gz PYJFWHDSMNYWNS-IHRRRGAJSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCNC1=O ZINC001503263434 1019242128 /nfs/dbraw/zinc/24/21/28/1019242128.db2.gz PYJFWHDSMNYWNS-IHRRRGAJSA-N 2 1 306.410 -0.543 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921112 1019999195 /nfs/dbraw/zinc/99/91/95/1019999195.db2.gz DXNWPLXQJJIIQI-MGPQQGTHSA-N 2 1 323.441 -0.159 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@@H]1C ZINC001507288218 1020274758 /nfs/dbraw/zinc/27/47/58/1020274758.db2.gz FBQXUESLENFCFN-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507730672 1020486549 /nfs/dbraw/zinc/48/65/49/1020486549.db2.gz VFSDAUDCXUOPKT-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507730672 1020486559 /nfs/dbraw/zinc/48/65/59/1020486559.db2.gz VFSDAUDCXUOPKT-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001507730672 1020486566 /nfs/dbraw/zinc/48/65/66/1020486566.db2.gz VFSDAUDCXUOPKT-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001507730672 1020486573 /nfs/dbraw/zinc/48/65/73/1020486573.db2.gz VFSDAUDCXUOPKT-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001508102616 1020526843 /nfs/dbraw/zinc/52/68/43/1020526843.db2.gz IFAYCPWOKBCQSL-RUXDESIVSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001508102616 1020526850 /nfs/dbraw/zinc/52/68/50/1020526850.db2.gz IFAYCPWOKBCQSL-RUXDESIVSA-N 2 1 324.425 -0.802 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]C[C@@H](O)COC)C1 ZINC001508114717 1020529369 /nfs/dbraw/zinc/52/93/69/1020529369.db2.gz JQRFIAFXHLQKNT-FJBKBRRZSA-N 2 1 323.437 -0.330 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]C[C@@H](O)COC)C1 ZINC001508114717 1020529370 /nfs/dbraw/zinc/52/93/70/1020529370.db2.gz JQRFIAFXHLQKNT-FJBKBRRZSA-N 2 1 323.437 -0.330 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001579757889 1020550321 /nfs/dbraw/zinc/55/03/21/1020550321.db2.gz WGZNMMZSQNHIQP-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001579757889 1020550339 /nfs/dbraw/zinc/55/03/39/1020550339.db2.gz WGZNMMZSQNHIQP-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001579757889 1020550352 /nfs/dbraw/zinc/55/03/52/1020550352.db2.gz WGZNMMZSQNHIQP-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001579757889 1020550368 /nfs/dbraw/zinc/55/03/68/1020550368.db2.gz WGZNMMZSQNHIQP-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001508211196 1020555395 /nfs/dbraw/zinc/55/53/95/1020555395.db2.gz IFMGCAJBFWWTDN-UHFFFAOYSA-N 2 1 320.437 -0.174 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)CCC[NH+](C)C)CC1 ZINC001508211196 1020555405 /nfs/dbraw/zinc/55/54/05/1020555405.db2.gz IFMGCAJBFWWTDN-UHFFFAOYSA-N 2 1 320.437 -0.174 20 30 DBEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001580038334 1020635872 /nfs/dbraw/zinc/63/58/72/1020635872.db2.gz KORAKAITFUVOBZ-SYQHCUMBSA-N 2 1 320.393 -0.092 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001583793536 1021004755 /nfs/dbraw/zinc/00/47/55/1021004755.db2.gz LWVKFDWXUNVWBJ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001583793536 1021004758 /nfs/dbraw/zinc/00/47/58/1021004758.db2.gz LWVKFDWXUNVWBJ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001583793536 1021004762 /nfs/dbraw/zinc/00/47/62/1021004762.db2.gz LWVKFDWXUNVWBJ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001583793536 1021004766 /nfs/dbraw/zinc/00/47/66/1021004766.db2.gz LWVKFDWXUNVWBJ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC001565497688 1024058216 /nfs/dbraw/zinc/05/82/16/1024058216.db2.gz WVSRZXCUIQDLJG-OAHLLOKOSA-N 2 1 308.426 -0.208 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(C)C ZINC001567024257 1024471929 /nfs/dbraw/zinc/47/19/29/1024471929.db2.gz JNSSWLKIMFYUGV-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC(C)C ZINC001567024257 1024471935 /nfs/dbraw/zinc/47/19/35/1024471935.db2.gz JNSSWLKIMFYUGV-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001567108998 1024525018 /nfs/dbraw/zinc/52/50/18/1024525018.db2.gz GCXQXKTXUMWAOQ-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001567108998 1024525030 /nfs/dbraw/zinc/52/50/30/1024525030.db2.gz GCXQXKTXUMWAOQ-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001567118722 1024530145 /nfs/dbraw/zinc/53/01/45/1024530145.db2.gz WPTAUXMSKGTRRT-LSDHHAIUSA-N 2 1 309.410 -0.595 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001567118722 1024530173 /nfs/dbraw/zinc/53/01/73/1024530173.db2.gz WPTAUXMSKGTRRT-LSDHHAIUSA-N 2 1 309.410 -0.595 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567281700 1024604885 /nfs/dbraw/zinc/60/48/85/1024604885.db2.gz FCVCNTQTIGOSCM-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567281700 1024604892 /nfs/dbraw/zinc/60/48/92/1024604892.db2.gz FCVCNTQTIGOSCM-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567281700 1024604897 /nfs/dbraw/zinc/60/48/97/1024604897.db2.gz FCVCNTQTIGOSCM-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567281700 1024604909 /nfs/dbraw/zinc/60/49/09/1024604909.db2.gz FCVCNTQTIGOSCM-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001567454485 1024703192 /nfs/dbraw/zinc/70/31/92/1024703192.db2.gz VUMAAQOASQVPNG-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001567454485 1024703212 /nfs/dbraw/zinc/70/32/12/1024703212.db2.gz VUMAAQOASQVPNG-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001567454485 1024703238 /nfs/dbraw/zinc/70/32/38/1024703238.db2.gz VUMAAQOASQVPNG-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567454485 1024703255 /nfs/dbraw/zinc/70/32/55/1024703255.db2.gz VUMAAQOASQVPNG-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001567454484 1024706354 /nfs/dbraw/zinc/70/63/54/1024706354.db2.gz VUMAAQOASQVPNG-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001567454484 1024706372 /nfs/dbraw/zinc/70/63/72/1024706372.db2.gz VUMAAQOASQVPNG-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001567454484 1024706403 /nfs/dbraw/zinc/70/64/03/1024706403.db2.gz VUMAAQOASQVPNG-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567454484 1024706430 /nfs/dbraw/zinc/70/64/30/1024706430.db2.gz VUMAAQOASQVPNG-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C(C)C ZINC001567510554 1024746884 /nfs/dbraw/zinc/74/68/84/1024746884.db2.gz CMBXQIGTQPRVPV-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N(C)C(C)C ZINC001567510554 1024746914 /nfs/dbraw/zinc/74/69/14/1024746914.db2.gz CMBXQIGTQPRVPV-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001567511164 1024751764 /nfs/dbraw/zinc/75/17/64/1024751764.db2.gz PPMOHVKVFOCTRN-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001567511164 1024751793 /nfs/dbraw/zinc/75/17/93/1024751793.db2.gz PPMOHVKVFOCTRN-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001567515992 1024761519 /nfs/dbraw/zinc/76/15/19/1024761519.db2.gz FPZMUQWPQORVQT-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001567736193 1024815461 /nfs/dbraw/zinc/81/54/61/1024815461.db2.gz JSMDVSVARDUVGG-CYBMUJFWSA-N 2 1 309.414 -0.642 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001568208312 1024875010 /nfs/dbraw/zinc/87/50/10/1024875010.db2.gz FBTLAOLZNUDPHS-GFCCVEGCSA-N 2 1 305.382 -0.717 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC001568470785 1024905295 /nfs/dbraw/zinc/90/52/95/1024905295.db2.gz VKKHCUGTMGVISD-CYBMUJFWSA-N 2 1 320.397 -0.438 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001568506500 1024922867 /nfs/dbraw/zinc/92/28/67/1024922867.db2.gz OXCQVDICMBUHSN-CQSZACIVSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC ZINC001568748681 1025001309 /nfs/dbraw/zinc/00/13/09/1025001309.db2.gz GSRKXRCVKQHMDM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](C)C(=O)NC ZINC001568748681 1025001310 /nfs/dbraw/zinc/00/13/10/1025001310.db2.gz GSRKXRCVKQHMDM-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001568775650 1025010813 /nfs/dbraw/zinc/01/08/13/1025010813.db2.gz GEAXOMSDRUBINH-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568849962 1025047260 /nfs/dbraw/zinc/04/72/60/1025047260.db2.gz CXSXAAGBPJVEQL-YVACAVLKSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N(C)CC ZINC001568864195 1025052978 /nfs/dbraw/zinc/05/29/78/1025052978.db2.gz RYYKOAVCZVYUOK-XHPSBEMXSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N(C)CC ZINC001568864195 1025052985 /nfs/dbraw/zinc/05/29/85/1025052985.db2.gz RYYKOAVCZVYUOK-XHPSBEMXSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001568905755 1025074029 /nfs/dbraw/zinc/07/40/29/1025074029.db2.gz DVQDSVLRAUIVKT-WHJWBVKISA-N 2 1 320.437 -0.272 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001569037149 1025123829 /nfs/dbraw/zinc/12/38/29/1025123829.db2.gz ZBNBZYRSQZHBAS-VXGBXAGGSA-N 2 1 305.382 -0.576 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCn1cncn1 ZINC001569121836 1025152214 /nfs/dbraw/zinc/15/22/14/1025152214.db2.gz QIXHKOYHQQEIQX-GJZGRUSLSA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCn1cncn1 ZINC001569121836 1025152232 /nfs/dbraw/zinc/15/22/32/1025152232.db2.gz QIXHKOYHQQEIQX-GJZGRUSLSA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCn1cncn1 ZINC001569121836 1025152246 /nfs/dbraw/zinc/15/22/46/1025152246.db2.gz QIXHKOYHQQEIQX-GJZGRUSLSA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCn1cncn1 ZINC001569121836 1025152254 /nfs/dbraw/zinc/15/22/54/1025152254.db2.gz QIXHKOYHQQEIQX-GJZGRUSLSA-N 2 1 318.425 -0.188 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001569136123 1025153350 /nfs/dbraw/zinc/15/33/50/1025153350.db2.gz MDRNHDUGTYUFCT-TZMCWYRMSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001569136123 1025153361 /nfs/dbraw/zinc/15/33/61/1025153361.db2.gz MDRNHDUGTYUFCT-TZMCWYRMSA-N 2 1 311.430 -0.351 20 30 DBEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001569297519 1025193521 /nfs/dbraw/zinc/19/35/21/1025193521.db2.gz MBNGTALLCOXHDA-GJZGRUSLSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001569297519 1025193528 /nfs/dbraw/zinc/19/35/28/1025193528.db2.gz MBNGTALLCOXHDA-GJZGRUSLSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569757123 1025338392 /nfs/dbraw/zinc/33/83/92/1025338392.db2.gz BBFWISITTSCFCD-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569757123 1025338409 /nfs/dbraw/zinc/33/84/09/1025338409.db2.gz BBFWISITTSCFCD-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569757123 1025338430 /nfs/dbraw/zinc/33/84/30/1025338430.db2.gz BBFWISITTSCFCD-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569764489 1025347942 /nfs/dbraw/zinc/34/79/42/1025347942.db2.gz BTLRHLRCKGYRKF-INIZCTEOSA-N 2 1 322.409 -0.053 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569764489 1025347950 /nfs/dbraw/zinc/34/79/50/1025347950.db2.gz BTLRHLRCKGYRKF-INIZCTEOSA-N 2 1 322.409 -0.053 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001569824913 1025372038 /nfs/dbraw/zinc/37/20/38/1025372038.db2.gz BZPZUDOMQPJAEJ-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001569888340 1025389184 /nfs/dbraw/zinc/38/91/84/1025389184.db2.gz PUDRALZGCWEYGZ-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001569888340 1025389198 /nfs/dbraw/zinc/38/91/98/1025389198.db2.gz PUDRALZGCWEYGZ-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001570427114 1025611258 /nfs/dbraw/zinc/61/12/58/1025611258.db2.gz KSWLNRVIGMSNMO-HNNXBMFYSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001570427114 1025611275 /nfs/dbraw/zinc/61/12/75/1025611275.db2.gz KSWLNRVIGMSNMO-HNNXBMFYSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545260 1025652623 /nfs/dbraw/zinc/65/26/23/1025652623.db2.gz OOFNYLUJJDASKV-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545260 1025652632 /nfs/dbraw/zinc/65/26/32/1025652632.db2.gz OOFNYLUJJDASKV-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570545260 1025652644 /nfs/dbraw/zinc/65/26/44/1025652644.db2.gz OOFNYLUJJDASKV-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570545260 1025652655 /nfs/dbraw/zinc/65/26/55/1025652655.db2.gz OOFNYLUJJDASKV-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001570569607 1025664741 /nfs/dbraw/zinc/66/47/41/1025664741.db2.gz RUZKQRBHTROALS-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001570712665 1025709135 /nfs/dbraw/zinc/70/91/35/1025709135.db2.gz PBOPBROVBKSUNB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001570712665 1025709115 /nfs/dbraw/zinc/70/91/15/1025709115.db2.gz PBOPBROVBKSUNB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712665 1025709156 /nfs/dbraw/zinc/70/91/56/1025709156.db2.gz PBOPBROVBKSUNB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712665 1025709192 /nfs/dbraw/zinc/70/91/92/1025709192.db2.gz PBOPBROVBKSUNB-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748355 1025735321 /nfs/dbraw/zinc/73/53/21/1025735321.db2.gz YFLYFVYPPHWBHF-CYBMUJFWSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001570748355 1025735358 /nfs/dbraw/zinc/73/53/58/1025735358.db2.gz YFLYFVYPPHWBHF-CYBMUJFWSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001570964118 1025804194 /nfs/dbraw/zinc/80/41/94/1025804194.db2.gz DDZZFJPGYZKLRT-ZSOGYDGISA-N 2 1 321.425 -0.740 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001570964118 1025804198 /nfs/dbraw/zinc/80/41/98/1025804198.db2.gz DDZZFJPGYZKLRT-ZSOGYDGISA-N 2 1 321.425 -0.740 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001570964118 1025804203 /nfs/dbraw/zinc/80/42/03/1025804203.db2.gz DDZZFJPGYZKLRT-ZSOGYDGISA-N 2 1 321.425 -0.740 20 30 DBEDMP CC(C)[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001570964118 1025804209 /nfs/dbraw/zinc/80/42/09/1025804209.db2.gz DDZZFJPGYZKLRT-ZSOGYDGISA-N 2 1 321.425 -0.740 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001571328824 1025891708 /nfs/dbraw/zinc/89/17/08/1025891708.db2.gz IQIXRFHBGPSWFI-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001571328824 1025891725 /nfs/dbraw/zinc/89/17/25/1025891725.db2.gz IQIXRFHBGPSWFI-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001571328824 1025891726 /nfs/dbraw/zinc/89/17/26/1025891726.db2.gz IQIXRFHBGPSWFI-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001571396359 1025935389 /nfs/dbraw/zinc/93/53/89/1025935389.db2.gz AQTZXSPFTICDLO-LLVKDONJSA-N 2 1 306.370 -0.732 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001571459433 1026031676 /nfs/dbraw/zinc/03/16/76/1026031676.db2.gz DLQXHYLLQYFDGL-OLZOCXBDSA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001571602651 1026116911 /nfs/dbraw/zinc/11/69/11/1026116911.db2.gz KGPIVMYFCCYPAW-HOTGVXAUSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001571602651 1026116919 /nfs/dbraw/zinc/11/69/19/1026116919.db2.gz KGPIVMYFCCYPAW-HOTGVXAUSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001571602651 1026116927 /nfs/dbraw/zinc/11/69/27/1026116927.db2.gz KGPIVMYFCCYPAW-HOTGVXAUSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001571602651 1026116937 /nfs/dbraw/zinc/11/69/37/1026116937.db2.gz KGPIVMYFCCYPAW-HOTGVXAUSA-N 2 1 305.422 -0.142 20 30 DBEDMP CC[C@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001571603367 1026119499 /nfs/dbraw/zinc/11/94/99/1026119499.db2.gz ZEEKEBOYOHOJCV-LSDHHAIUSA-N 2 1 313.442 -0.273 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001571608771 1026124628 /nfs/dbraw/zinc/12/46/28/1026124628.db2.gz OXKSERVLEWVNOC-LSDHHAIUSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571608771 1026124634 /nfs/dbraw/zinc/12/46/34/1026124634.db2.gz OXKSERVLEWVNOC-LSDHHAIUSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571608771 1026124639 /nfs/dbraw/zinc/12/46/39/1026124639.db2.gz OXKSERVLEWVNOC-LSDHHAIUSA-N 2 1 311.426 -0.661 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001571867207 1026205192 /nfs/dbraw/zinc/20/51/92/1026205192.db2.gz LNHDDIPBGBJGSG-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)CNC(=O)CC[NH+](C)C ZINC001571867207 1026205203 /nfs/dbraw/zinc/20/52/03/1026205203.db2.gz LNHDDIPBGBJGSG-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(C#N)n1 ZINC000597942981 376186118 /nfs/dbraw/zinc/18/61/18/376186118.db2.gz RURBGOMJAAYZLR-LBPRGKRZSA-N 2 1 307.402 -0.462 20 30 DBEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cn1cnc(C#N)n1 ZINC000597942981 376186128 /nfs/dbraw/zinc/18/61/28/376186128.db2.gz RURBGOMJAAYZLR-LBPRGKRZSA-N 2 1 307.402 -0.462 20 30 DBEDMP C#CCNC(=O)C1CC[NH+](CCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000491752677 393828699 /nfs/dbraw/zinc/82/86/99/393828699.db2.gz MLMHFYAUBZFPFQ-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582487575 337097832 /nfs/dbraw/zinc/09/78/32/337097832.db2.gz GCPVDTWVBZPKRK-LBPRGKRZSA-N 2 1 310.398 -0.315 20 30 DBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000582487575 337097833 /nfs/dbraw/zinc/09/78/33/337097833.db2.gz GCPVDTWVBZPKRK-LBPRGKRZSA-N 2 1 310.398 -0.315 20 30 DBEDMP CC[N@H+](C)CCNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261838011 527793203 /nfs/dbraw/zinc/79/32/03/527793203.db2.gz VYSDUDLUEXTIIE-UHFFFAOYSA-N 2 1 321.429 -0.404 20 30 DBEDMP CC[N@@H+](C)CCNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261838011 527793207 /nfs/dbraw/zinc/79/32/07/527793207.db2.gz VYSDUDLUEXTIIE-UHFFFAOYSA-N 2 1 321.429 -0.404 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553204 665542997 /nfs/dbraw/zinc/54/29/97/665542997.db2.gz GVTDWMXLFOAFDV-UAEIHBMGSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553204 665542999 /nfs/dbraw/zinc/54/29/99/665542999.db2.gz GVTDWMXLFOAFDV-UAEIHBMGSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553204 665543000 /nfs/dbraw/zinc/54/30/00/665543000.db2.gz GVTDWMXLFOAFDV-UAEIHBMGSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676171 664235772 /nfs/dbraw/zinc/23/57/72/664235772.db2.gz CKNZCFAZHYPYEO-LSDHHAIUSA-N 2 1 303.410 -0.021 20 30 DBEDMP C#CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676171 664235774 /nfs/dbraw/zinc/23/57/74/664235774.db2.gz CKNZCFAZHYPYEO-LSDHHAIUSA-N 2 1 303.410 -0.021 20 30 DBEDMP CCNC(=O)C(C)(C)CNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000157410087 664812039 /nfs/dbraw/zinc/81/20/39/664812039.db2.gz GUESZJVNVOFXBN-UHFFFAOYSA-N 2 1 313.446 -0.225 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798649 665088166 /nfs/dbraw/zinc/08/81/66/665088166.db2.gz CIOJZSUTOUMMRO-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798649 665088167 /nfs/dbraw/zinc/08/81/67/665088167.db2.gz CIOJZSUTOUMMRO-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798649 665088168 /nfs/dbraw/zinc/08/81/68/665088168.db2.gz CIOJZSUTOUMMRO-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798855 665088826 /nfs/dbraw/zinc/08/88/26/665088826.db2.gz LJWSKMZEIHHHIL-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798855 665088827 /nfs/dbraw/zinc/08/88/27/665088827.db2.gz LJWSKMZEIHHHIL-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798855 665088828 /nfs/dbraw/zinc/08/88/28/665088828.db2.gz LJWSKMZEIHHHIL-OWYFMNJBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC1(O)CN(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000893022900 665108833 /nfs/dbraw/zinc/10/88/33/665108833.db2.gz NWNNDRWBAMAUTC-ZDUSSCGKSA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000991725933 674882488 /nfs/dbraw/zinc/88/24/88/674882488.db2.gz GORIHSLNLQMGTF-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000991725933 674882489 /nfs/dbraw/zinc/88/24/89/674882489.db2.gz GORIHSLNLQMGTF-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000991725933 674882491 /nfs/dbraw/zinc/88/24/91/674882491.db2.gz GORIHSLNLQMGTF-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000991725933 674882492 /nfs/dbraw/zinc/88/24/92/674882492.db2.gz GORIHSLNLQMGTF-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000170910117 674908108 /nfs/dbraw/zinc/90/81/08/674908108.db2.gz APSIGGDMVMYVQH-CYBMUJFWSA-N 2 1 311.430 -0.376 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001028333866 670684274 /nfs/dbraw/zinc/68/42/74/670684274.db2.gz RWYITXDRFZCWHW-DZGCQCFKSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001028333866 670684277 /nfs/dbraw/zinc/68/42/77/670684277.db2.gz RWYITXDRFZCWHW-DZGCQCFKSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001029001880 671152269 /nfs/dbraw/zinc/15/22/69/671152269.db2.gz FEPBSAQGQNYPTO-AWEZNQCLSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000895056473 671277698 /nfs/dbraw/zinc/27/76/98/671277698.db2.gz LTIIBOIFTYETGQ-UHFFFAOYSA-N 2 1 309.458 -0.170 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000895056473 671277705 /nfs/dbraw/zinc/27/77/05/671277705.db2.gz LTIIBOIFTYETGQ-UHFFFAOYSA-N 2 1 309.458 -0.170 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(C)CC[NH+](C)CC1 ZINC000895056473 671277715 /nfs/dbraw/zinc/27/77/15/671277715.db2.gz LTIIBOIFTYETGQ-UHFFFAOYSA-N 2 1 309.458 -0.170 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983903853 671292220 /nfs/dbraw/zinc/29/22/20/671292220.db2.gz GXHNCZBZVJRSSW-TUVASFSCSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@@H]2CCNC2=O)C1 ZINC000983903853 671292226 /nfs/dbraw/zinc/29/22/26/671292226.db2.gz GXHNCZBZVJRSSW-TUVASFSCSA-N 2 1 318.421 -0.543 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCCS1(=O)=O ZINC000303982562 671492517 /nfs/dbraw/zinc/49/25/17/671492517.db2.gz QHWLARASENSGNA-LBPRGKRZSA-N 2 1 317.459 -0.590 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2CC)CC1 ZINC000897675171 672505641 /nfs/dbraw/zinc/50/56/41/672505641.db2.gz SRJWUUGOIRJAHT-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2CC)CC1 ZINC000897675171 672505643 /nfs/dbraw/zinc/50/56/43/672505643.db2.gz SRJWUUGOIRJAHT-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCN(C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC000917973020 677450937 /nfs/dbraw/zinc/45/09/37/677450937.db2.gz SUVCDRNSIQKARM-INIZCTEOSA-N 2 1 321.469 -0.029 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000941641001 677836468 /nfs/dbraw/zinc/83/64/68/677836468.db2.gz NNUFCBKVCDKOPE-UHFFFAOYSA-N 2 1 316.449 -0.066 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666426 677839995 /nfs/dbraw/zinc/83/99/95/677839995.db2.gz YQXLXDDVWBHYED-HNNXBMFYSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666426 677839998 /nfs/dbraw/zinc/83/99/98/677839998.db2.gz YQXLXDDVWBHYED-HNNXBMFYSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@H](CC)C(N)=O)C2)CC1 ZINC001032207377 678096493 /nfs/dbraw/zinc/09/64/93/678096493.db2.gz OTZIRXIFRHSSPA-OAHLLOKOSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@@H]2C)CC1 ZINC000945180805 678144293 /nfs/dbraw/zinc/14/42/93/678144293.db2.gz LVIKPGAQNPMAJP-DZGCQCFKSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@@H]2C)CC1 ZINC000945180805 678144294 /nfs/dbraw/zinc/14/42/94/678144294.db2.gz LVIKPGAQNPMAJP-DZGCQCFKSA-N 2 1 320.437 -0.357 20 30 DBEDMP C[NH+]=C(NCCC[NH+]1CCOCC1)NCCN1CCOCC1 ZINC000848980454 805852377 /nfs/dbraw/zinc/85/23/77/805852377.db2.gz NYYYDNGUGHTDDH-UHFFFAOYSA-N 2 1 313.446 -0.794 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796935 805989616 /nfs/dbraw/zinc/98/96/16/805989616.db2.gz WHXWSXMSSYDOOD-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796935 805989621 /nfs/dbraw/zinc/98/96/21/805989621.db2.gz WHXWSXMSSYDOOD-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316796935 805989628 /nfs/dbraw/zinc/98/96/28/805989628.db2.gz WHXWSXMSSYDOOD-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316796935 805989636 /nfs/dbraw/zinc/98/96/36/805989636.db2.gz WHXWSXMSSYDOOD-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC(=O)NCC#N ZINC001316893532 806022993 /nfs/dbraw/zinc/02/29/93/806022993.db2.gz XPFOGHDWQBTOKC-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001316893532 806023000 /nfs/dbraw/zinc/02/30/00/806023000.db2.gz XPFOGHDWQBTOKC-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)CC(=O)NCC#N ZINC001316893532 806023008 /nfs/dbraw/zinc/02/30/08/806023008.db2.gz XPFOGHDWQBTOKC-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001316936405 806036862 /nfs/dbraw/zinc/03/68/62/806036862.db2.gz WZVILYYQDCBRTB-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001316961347 806045716 /nfs/dbraw/zinc/04/57/16/806045716.db2.gz GWSRFKDFPIHFMB-OAHLLOKOSA-N 2 1 307.442 -0.024 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001316961347 806045726 /nfs/dbraw/zinc/04/57/26/806045726.db2.gz GWSRFKDFPIHFMB-OAHLLOKOSA-N 2 1 307.442 -0.024 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317092437 806087967 /nfs/dbraw/zinc/08/79/67/806087967.db2.gz IBGMBXXWJYJJJN-CRWXNKLISA-N 2 1 308.426 -0.134 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCCO)C1 ZINC001317327230 806133448 /nfs/dbraw/zinc/13/34/48/806133448.db2.gz UZEJKGGYOPAZNC-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCOCCO)C1 ZINC001317327230 806133451 /nfs/dbraw/zinc/13/34/51/806133451.db2.gz UZEJKGGYOPAZNC-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@@H+](C)CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC001317445764 806150228 /nfs/dbraw/zinc/15/02/28/806150228.db2.gz IMHNZBDDUXUXLP-UHFFFAOYSA-N 2 1 321.425 -0.244 20 30 DBEDMP CC[C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602476 806315714 /nfs/dbraw/zinc/31/57/14/806315714.db2.gz JREWYRDMDBNWQB-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602476 806315723 /nfs/dbraw/zinc/31/57/23/806315723.db2.gz JREWYRDMDBNWQB-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710110 806450252 /nfs/dbraw/zinc/45/02/52/806450252.db2.gz VSZDUPKVTFVWGJ-LPWJVIDDSA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710110 806450258 /nfs/dbraw/zinc/45/02/58/806450258.db2.gz VSZDUPKVTFVWGJ-LPWJVIDDSA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711807 806451816 /nfs/dbraw/zinc/45/18/16/806451816.db2.gz NZGGPHDUWBBNTD-FQUUOJAGSA-N 2 1 320.393 -0.360 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711807 806451820 /nfs/dbraw/zinc/45/18/20/806451820.db2.gz NZGGPHDUWBBNTD-FQUUOJAGSA-N 2 1 320.393 -0.360 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001320235872 806459233 /nfs/dbraw/zinc/45/92/33/806459233.db2.gz SENUDHOFKJNHGP-HOTGVXAUSA-N 2 1 316.405 -0.254 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cccnc1 ZINC001320235872 806459239 /nfs/dbraw/zinc/45/92/39/806459239.db2.gz SENUDHOFKJNHGP-HOTGVXAUSA-N 2 1 316.405 -0.254 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)Cn1c[nH+]cc1C ZINC001320800251 806530520 /nfs/dbraw/zinc/53/05/20/806530520.db2.gz SNRYOCKIULTWFB-UHFFFAOYSA-N 2 1 306.370 -0.731 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001321097912 806572038 /nfs/dbraw/zinc/57/20/38/806572038.db2.gz RIACEBVFRUPFIG-JZIMQPMSSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NC1CC1 ZINC001321097912 806572044 /nfs/dbraw/zinc/57/20/44/806572044.db2.gz RIACEBVFRUPFIG-JZIMQPMSSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)Cn1cc[nH+]c1C ZINC001321403612 806621664 /nfs/dbraw/zinc/62/16/64/806621664.db2.gz OYNIPOCMQLTMGT-CFHLNLSMSA-N 2 1 317.393 -0.409 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298716 806732505 /nfs/dbraw/zinc/73/25/05/806732505.db2.gz NGTUEAKSHDGADH-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298716 806732508 /nfs/dbraw/zinc/73/25/08/806732508.db2.gz NGTUEAKSHDGADH-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323109896 806825685 /nfs/dbraw/zinc/82/56/85/806825685.db2.gz USWFDVDWSJUPNG-UONOGXRCSA-N 2 1 308.426 -0.275 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001324097173 806943754 /nfs/dbraw/zinc/94/37/54/806943754.db2.gz HZQWOWZBRPTIRD-KBPBESRZSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001324097176 806943838 /nfs/dbraw/zinc/94/38/38/806943838.db2.gz HZQWOWZBRPTIRD-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP C[N@@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001324174725 806949666 /nfs/dbraw/zinc/94/96/66/806949666.db2.gz IKNPBZQMYMSLQD-CQSZACIVSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324662811 806998150 /nfs/dbraw/zinc/99/81/50/806998150.db2.gz WHPBRJHKAARKMM-INIZCTEOSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001324662811 806998153 /nfs/dbraw/zinc/99/81/53/806998153.db2.gz WHPBRJHKAARKMM-INIZCTEOSA-N 2 1 318.421 -0.588 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278423992 803791303 /nfs/dbraw/zinc/79/13/03/803791303.db2.gz MYCQNZPSVPSMAV-QWHCGFSZSA-N 2 1 309.414 -0.455 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@H]1CC[N@H+](C2CC2)C1 ZINC000104172542 803804117 /nfs/dbraw/zinc/80/41/17/803804117.db2.gz MPYITRQLSYDQOW-CQSZACIVSA-N 2 1 309.458 -0.032 20 30 DBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001278780994 803823849 /nfs/dbraw/zinc/82/38/49/803823849.db2.gz AWLRTDRFNAMIFP-NVXWUHKLSA-N 2 1 305.422 -0.096 20 30 DBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001278780995 803824420 /nfs/dbraw/zinc/82/44/20/803824420.db2.gz AWLRTDRFNAMIFP-RDJZCZTQSA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001280449011 803959880 /nfs/dbraw/zinc/95/98/80/803959880.db2.gz FTVKBJZUADIJMP-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280565592 803981129 /nfs/dbraw/zinc/98/11/29/803981129.db2.gz FZMJKISLSSRADR-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280884321 804032885 /nfs/dbraw/zinc/03/28/85/804032885.db2.gz ZFIDLWZIMICGAJ-LSDHHAIUSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001280884321 804032890 /nfs/dbraw/zinc/03/28/90/804032890.db2.gz ZFIDLWZIMICGAJ-LSDHHAIUSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001280884321 804032898 /nfs/dbraw/zinc/03/28/98/804032898.db2.gz ZFIDLWZIMICGAJ-LSDHHAIUSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001283101939 804414840 /nfs/dbraw/zinc/41/48/40/804414840.db2.gz DJBSKXGYITZAEM-XQLPTFJDSA-N 2 1 320.437 -0.440 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284415828 804700860 /nfs/dbraw/zinc/70/08/60/804700860.db2.gz FBVXIMJOEBHSCA-RBSFLKMASA-N 2 1 311.426 -0.615 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)C1 ZINC001284819261 804773726 /nfs/dbraw/zinc/77/37/26/804773726.db2.gz XNTRTLVVEGDBTR-UYSNPLJNSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C2CC([NH2+]CC#CCOC)C2)C1 ZINC001284819261 804773730 /nfs/dbraw/zinc/77/37/30/804773730.db2.gz XNTRTLVVEGDBTR-UYSNPLJNSA-N 2 1 323.437 -0.064 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+]3CCN1CCC3)C2 ZINC000884413547 807048866 /nfs/dbraw/zinc/04/88/66/807048866.db2.gz WGIQQFVBEJGCRX-KRIMKBQASA-N 2 1 317.437 -0.368 20 30 DBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364126 807215622 /nfs/dbraw/zinc/21/56/22/807215622.db2.gz WTNKNBCOKZBNCB-QLFBSQMISA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[NH+]1CCC[C@@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364126 807215628 /nfs/dbraw/zinc/21/56/28/807215628.db2.gz WTNKNBCOKZBNCB-QLFBSQMISA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364126 807215634 /nfs/dbraw/zinc/21/56/34/807215634.db2.gz WTNKNBCOKZBNCB-QLFBSQMISA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364126 807215638 /nfs/dbraw/zinc/21/56/38/807215638.db2.gz WTNKNBCOKZBNCB-QLFBSQMISA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001327188226 807247182 /nfs/dbraw/zinc/24/71/82/807247182.db2.gz IUTJGTKNXIKDNV-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001327188226 807247185 /nfs/dbraw/zinc/24/71/85/807247185.db2.gz IUTJGTKNXIKDNV-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001327188226 807247188 /nfs/dbraw/zinc/24/71/88/807247188.db2.gz IUTJGTKNXIKDNV-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001327554809 807302887 /nfs/dbraw/zinc/30/28/87/807302887.db2.gz LJHBHBFRFIVBHP-GOEBONIOSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001327554809 807302894 /nfs/dbraw/zinc/30/28/94/807302894.db2.gz LJHBHBFRFIVBHP-GOEBONIOSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001327606207 807311833 /nfs/dbraw/zinc/31/18/33/807311833.db2.gz BMYSRJFDYUGHQX-HOCLYGCPSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001327606207 807311839 /nfs/dbraw/zinc/31/18/39/807311839.db2.gz BMYSRJFDYUGHQX-HOCLYGCPSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000900617363 807313994 /nfs/dbraw/zinc/31/39/94/807313994.db2.gz USPQBTFAPVVJRC-UHFFFAOYSA-N 2 1 323.441 -0.384 20 30 DBEDMP CN(CC(C)(C)C[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC001329279578 807546365 /nfs/dbraw/zinc/54/63/65/807546365.db2.gz YLAMQVHDGMQHFQ-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC(=O)NCC#N)C1 ZINC001329996609 807655799 /nfs/dbraw/zinc/65/57/99/807655799.db2.gz DQWCHJOZGGXOLP-OUCADQQQSA-N 2 1 321.425 -0.597 20 30 DBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575575 807681034 /nfs/dbraw/zinc/68/10/34/807681034.db2.gz JAMOZPZPMDEVLM-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575575 807681041 /nfs/dbraw/zinc/68/10/41/807681041.db2.gz JAMOZPZPMDEVLM-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486111 807922857 /nfs/dbraw/zinc/92/28/57/807922857.db2.gz MGHPGNZJSFRFLA-LBPRGKRZSA-N 2 1 312.414 -0.225 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@H](C)C2)CC1 ZINC000948069298 808255220 /nfs/dbraw/zinc/25/52/20/808255220.db2.gz FNJGKBLDIKGLDP-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@H](C)C2)CC1 ZINC000948069298 808255224 /nfs/dbraw/zinc/25/52/24/808255224.db2.gz FNJGKBLDIKGLDP-HIFRSBDPSA-N 2 1 320.437 -0.214 20 30 DBEDMP O=C(C#CC1CC[NH2+]CC1)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001342044267 808713412 /nfs/dbraw/zinc/71/34/12/808713412.db2.gz WRSHCQKBMBBFMG-DOTOQJQBSA-N 2 1 321.421 -0.669 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC=C)C[C@H]2O)CC1 ZINC000958723698 810011887 /nfs/dbraw/zinc/01/18/87/810011887.db2.gz IXGCXNLDQASRCV-JKSUJKDBSA-N 2 1 305.422 -0.074 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](O)C1 ZINC000958723908 810012852 /nfs/dbraw/zinc/01/28/52/810012852.db2.gz KJECISJKJPXNJG-IAGOWNOFSA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000968952971 811520042 /nfs/dbraw/zinc/52/00/42/811520042.db2.gz XKHJCLCTLCGAOW-CABCVRRESA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC000968952971 811520044 /nfs/dbraw/zinc/52/00/44/811520044.db2.gz XKHJCLCTLCGAOW-CABCVRRESA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020250841 814336165 /nfs/dbraw/zinc/33/61/65/814336165.db2.gz UMHQCCQHFKHJNK-KKUMJFAQSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001020250841 814336174 /nfs/dbraw/zinc/33/61/74/814336174.db2.gz UMHQCCQHFKHJNK-KKUMJFAQSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020250782 814336285 /nfs/dbraw/zinc/33/62/85/814336285.db2.gz QKKCIBRHSYLWRI-TUVASFSCSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001020250782 814336289 /nfs/dbraw/zinc/33/62/89/814336289.db2.gz QKKCIBRHSYLWRI-TUVASFSCSA-N 2 1 318.421 -0.401 20 30 DBEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014514 816720425 /nfs/dbraw/zinc/72/04/25/816720425.db2.gz YSDYFLJVAJOJBF-HOTGVXAUSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014514 816720430 /nfs/dbraw/zinc/72/04/30/816720430.db2.gz YSDYFLJVAJOJBF-HOTGVXAUSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014514 816720433 /nfs/dbraw/zinc/72/04/33/816720433.db2.gz YSDYFLJVAJOJBF-HOTGVXAUSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014514 816720436 /nfs/dbraw/zinc/72/04/36/816720436.db2.gz YSDYFLJVAJOJBF-HOTGVXAUSA-N 2 1 322.453 -0.279 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046849941 816961115 /nfs/dbraw/zinc/96/11/15/816961115.db2.gz MNEKGUSKHCVWFJ-KRWDZBQOSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NC)C2)CC1 ZINC001046849941 816961121 /nfs/dbraw/zinc/96/11/21/816961121.db2.gz MNEKGUSKHCVWFJ-KRWDZBQOSA-N 2 1 320.437 -0.342 20 30 DBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047384359 817100836 /nfs/dbraw/zinc/10/08/36/817100836.db2.gz YFXRUHYVNCNCFR-JYJNAYRXSA-N 2 1 305.422 -0.145 20 30 DBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001047384359 817100840 /nfs/dbraw/zinc/10/08/40/817100840.db2.gz YFXRUHYVNCNCFR-JYJNAYRXSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@H+](CC#CC)C[C@@H]2O)CC1 ZINC001047638343 817247678 /nfs/dbraw/zinc/24/76/78/817247678.db2.gz NNULKKZQZRIFPT-IRXDYDNUSA-N 2 1 317.433 -0.142 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CC#CC)C[C@@H]2O)CC1 ZINC001047638343 817247682 /nfs/dbraw/zinc/24/76/82/817247682.db2.gz NNULKKZQZRIFPT-IRXDYDNUSA-N 2 1 317.433 -0.142 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296183 818099917 /nfs/dbraw/zinc/09/99/17/818099917.db2.gz OBYFFZGGRRSUKY-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001054296183 818099924 /nfs/dbraw/zinc/09/99/24/818099924.db2.gz OBYFFZGGRRSUKY-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097487 820394477 /nfs/dbraw/zinc/39/44/77/820394477.db2.gz VSWMAUDERKGVEH-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097487 820394484 /nfs/dbraw/zinc/39/44/84/820394484.db2.gz VSWMAUDERKGVEH-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097487 820394494 /nfs/dbraw/zinc/39/44/94/820394494.db2.gz VSWMAUDERKGVEH-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096277 820396075 /nfs/dbraw/zinc/39/60/75/820396075.db2.gz RLKPPLSBPSNGSN-MCIONIFRSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096277 820396086 /nfs/dbraw/zinc/39/60/86/820396086.db2.gz RLKPPLSBPSNGSN-MCIONIFRSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096277 820396095 /nfs/dbraw/zinc/39/60/95/820396095.db2.gz RLKPPLSBPSNGSN-MCIONIFRSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096277 820396106 /nfs/dbraw/zinc/39/61/06/820396106.db2.gz RLKPPLSBPSNGSN-MCIONIFRSA-N 2 1 304.398 -0.243 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097486 820396127 /nfs/dbraw/zinc/39/61/27/820396127.db2.gz VSWMAUDERKGVEH-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097486 820396137 /nfs/dbraw/zinc/39/61/37/820396137.db2.gz VSWMAUDERKGVEH-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070097486 820396149 /nfs/dbraw/zinc/39/61/49/820396149.db2.gz VSWMAUDERKGVEH-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165242 820412631 /nfs/dbraw/zinc/41/26/31/820412631.db2.gz KEECOEDFVBNCOV-RDBSUJKOSA-N 2 1 320.397 -0.864 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165242 820412636 /nfs/dbraw/zinc/41/26/36/820412636.db2.gz KEECOEDFVBNCOV-RDBSUJKOSA-N 2 1 320.397 -0.864 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070211474 820425076 /nfs/dbraw/zinc/42/50/76/820425076.db2.gz JJNSHCKEKMQOLV-ILXRZTDVSA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC)[C@@H](n2ccnn2)C1 ZINC001070211474 820425078 /nfs/dbraw/zinc/42/50/78/820425078.db2.gz JJNSHCKEKMQOLV-ILXRZTDVSA-N 2 1 316.409 -0.263 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326873 820444920 /nfs/dbraw/zinc/44/49/20/820444920.db2.gz GZIMRJSVSOVJLS-MCIONIFRSA-N 2 1 304.398 -0.243 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563400 820498770 /nfs/dbraw/zinc/49/87/70/820498770.db2.gz BKJCZDMOQXPSOZ-IJEWVQPXSA-N 2 1 315.421 -0.111 20 30 DBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813534 821019057 /nfs/dbraw/zinc/01/90/57/821019057.db2.gz VMRFOFSEMFCQFO-HNNXBMFYSA-N 2 1 315.421 -0.019 20 30 DBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813534 821019060 /nfs/dbraw/zinc/01/90/60/821019060.db2.gz VMRFOFSEMFCQFO-HNNXBMFYSA-N 2 1 315.421 -0.019 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418139 822106951 /nfs/dbraw/zinc/10/69/51/822106951.db2.gz KNJKCFTWCYCTNK-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418139 822106953 /nfs/dbraw/zinc/10/69/53/822106953.db2.gz KNJKCFTWCYCTNK-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418139 822106955 /nfs/dbraw/zinc/10/69/55/822106955.db2.gz KNJKCFTWCYCTNK-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418139 822106957 /nfs/dbraw/zinc/10/69/57/822106957.db2.gz KNJKCFTWCYCTNK-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@H]2O)CC1 ZINC001078227246 823747355 /nfs/dbraw/zinc/74/73/55/823747355.db2.gz PWPKHZUHBGKOMS-NUEKZKHPSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001080992289 824120724 /nfs/dbraw/zinc/12/07/24/824120724.db2.gz CNWISFIWQYLZBV-VNHYZAJKSA-N 2 1 320.437 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@H]2C)CC1 ZINC001080992289 824120730 /nfs/dbraw/zinc/12/07/30/824120730.db2.gz CNWISFIWQYLZBV-VNHYZAJKSA-N 2 1 320.437 -0.358 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078172 824883393 /nfs/dbraw/zinc/88/33/93/824883393.db2.gz PBCFUDJYEYZOER-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001084078172 824883397 /nfs/dbraw/zinc/88/33/97/824883397.db2.gz PBCFUDJYEYZOER-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078172 824883402 /nfs/dbraw/zinc/88/34/02/824883402.db2.gz PBCFUDJYEYZOER-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001084078172 824883404 /nfs/dbraw/zinc/88/34/04/824883404.db2.gz PBCFUDJYEYZOER-QLFBSQMISA-N 2 1 311.426 -0.165 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001114799334 828744113 /nfs/dbraw/zinc/74/41/13/828744113.db2.gz VJBVHVAIOQHSIK-PAPYEOQZSA-N 2 1 321.425 -0.741 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001114799334 828744120 /nfs/dbraw/zinc/74/41/20/828744120.db2.gz VJBVHVAIOQHSIK-PAPYEOQZSA-N 2 1 321.425 -0.741 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778119 828741492 /nfs/dbraw/zinc/74/14/92/828741492.db2.gz FPPOAVYKZBBXLN-CTASWTNQSA-N 2 1 320.437 -0.229 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114831629 828748690 /nfs/dbraw/zinc/74/86/90/828748690.db2.gz DPBBJERHQNAZKU-SZOQZIPDSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114831629 828748694 /nfs/dbraw/zinc/74/86/94/828748694.db2.gz DPBBJERHQNAZKU-SZOQZIPDSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114831629 828748697 /nfs/dbraw/zinc/74/86/97/828748697.db2.gz DPBBJERHQNAZKU-SZOQZIPDSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114831629 828748701 /nfs/dbraw/zinc/74/87/01/828748701.db2.gz DPBBJERHQNAZKU-SZOQZIPDSA-N 2 1 318.421 -0.734 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114832415 828749562 /nfs/dbraw/zinc/74/95/62/828749562.db2.gz QZVDPUFZIABSBA-WVZRYYJFSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114832415 828749565 /nfs/dbraw/zinc/74/95/65/828749565.db2.gz QZVDPUFZIABSBA-WVZRYYJFSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832415 828749568 /nfs/dbraw/zinc/74/95/68/828749568.db2.gz QZVDPUFZIABSBA-WVZRYYJFSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114832415 828749569 /nfs/dbraw/zinc/74/95/69/828749569.db2.gz QZVDPUFZIABSBA-WVZRYYJFSA-N 2 1 320.437 -0.181 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086389606 825247253 /nfs/dbraw/zinc/24/72/53/825247253.db2.gz SXPNNHAWVHKCGH-XUXIUFHCSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001086389606 825247261 /nfs/dbraw/zinc/24/72/61/825247261.db2.gz SXPNNHAWVHKCGH-XUXIUFHCSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC001089059639 825489968 /nfs/dbraw/zinc/48/99/68/825489968.db2.gz VAAFYRBRHXRDMQ-HIFRSBDPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC)[C@@H]2C)CC1 ZINC001089059639 825489970 /nfs/dbraw/zinc/48/99/70/825489970.db2.gz VAAFYRBRHXRDMQ-HIFRSBDPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115119415 828789370 /nfs/dbraw/zinc/78/93/70/828789370.db2.gz WXOAFSBFJGDDPY-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115119415 828789372 /nfs/dbraw/zinc/78/93/72/828789372.db2.gz WXOAFSBFJGDDPY-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119415 828789375 /nfs/dbraw/zinc/78/93/75/828789375.db2.gz WXOAFSBFJGDDPY-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115119415 828789378 /nfs/dbraw/zinc/78/93/78/828789378.db2.gz WXOAFSBFJGDDPY-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090273163 825616974 /nfs/dbraw/zinc/61/69/74/825616974.db2.gz SBMAGSNPMOLBKR-ZFWWWQNUSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090273163 825616976 /nfs/dbraw/zinc/61/69/76/825616976.db2.gz SBMAGSNPMOLBKR-ZFWWWQNUSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)C[C@H]2O)CC1 ZINC001090830903 825862961 /nfs/dbraw/zinc/86/29/61/825862961.db2.gz QNRFBLGUUBGKNC-JKSUJKDBSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)C[C@H]2O)CC1 ZINC001090830903 825862963 /nfs/dbraw/zinc/86/29/63/825862963.db2.gz QNRFBLGUUBGKNC-JKSUJKDBSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC#C)C[C@@H]2O)CC1 ZINC001090830901 825863263 /nfs/dbraw/zinc/86/32/63/825863263.db2.gz QNRFBLGUUBGKNC-HOTGVXAUSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#C)C[C@@H]2O)CC1 ZINC001090830901 825863271 /nfs/dbraw/zinc/86/32/71/825863271.db2.gz QNRFBLGUUBGKNC-HOTGVXAUSA-N 2 1 303.406 -0.484 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001092690075 826055712 /nfs/dbraw/zinc/05/57/12/826055712.db2.gz ZTXAMFPKUYPXCJ-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001092690075 826055719 /nfs/dbraw/zinc/05/57/19/826055719.db2.gz ZTXAMFPKUYPXCJ-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001092690075 826055726 /nfs/dbraw/zinc/05/57/26/826055726.db2.gz ZTXAMFPKUYPXCJ-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001092690075 826055731 /nfs/dbraw/zinc/05/57/31/826055731.db2.gz ZTXAMFPKUYPXCJ-MCIONIFRSA-N 2 1 306.410 -0.747 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815396 826294056 /nfs/dbraw/zinc/29/40/56/826294056.db2.gz RVRAYSRSUGQCDH-UONOGXRCSA-N 2 1 320.437 -0.085 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815396 826294058 /nfs/dbraw/zinc/29/40/58/826294058.db2.gz RVRAYSRSUGQCDH-UONOGXRCSA-N 2 1 320.437 -0.085 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001098404432 826477849 /nfs/dbraw/zinc/47/78/49/826477849.db2.gz MJEUMNKDHRVRFU-GDBMZVCRSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001098404432 826477854 /nfs/dbraw/zinc/47/78/54/826477854.db2.gz MJEUMNKDHRVRFU-GDBMZVCRSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404432 826477855 /nfs/dbraw/zinc/47/78/55/826477855.db2.gz MJEUMNKDHRVRFU-GDBMZVCRSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)CC1 ZINC001098404432 826477858 /nfs/dbraw/zinc/47/78/58/826477858.db2.gz MJEUMNKDHRVRFU-GDBMZVCRSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892789 826715824 /nfs/dbraw/zinc/71/58/24/826715824.db2.gz PPOKHJZFJYTBDB-CABCVRRESA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001099892789 826715830 /nfs/dbraw/zinc/71/58/30/826715830.db2.gz PPOKHJZFJYTBDB-CABCVRRESA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979669 826755754 /nfs/dbraw/zinc/75/57/54/826755754.db2.gz YZBHYHDYMWSEIO-JKSUJKDBSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](O)C1 ZINC001099979669 826755758 /nfs/dbraw/zinc/75/57/58/826755758.db2.gz YZBHYHDYMWSEIO-JKSUJKDBSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056063 826801002 /nfs/dbraw/zinc/80/10/02/826801002.db2.gz NTTCYDIYQTVQLQ-LSDHHAIUSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056063 826801014 /nfs/dbraw/zinc/80/10/14/826801014.db2.gz NTTCYDIYQTVQLQ-LSDHHAIUSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001274588308 833104944 /nfs/dbraw/zinc/10/49/44/833104944.db2.gz IPUQGTABROICLQ-OAHLLOKOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001274588308 833104948 /nfs/dbraw/zinc/10/49/48/833104948.db2.gz IPUQGTABROICLQ-OAHLLOKOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616888 833111332 /nfs/dbraw/zinc/11/13/32/833111332.db2.gz QVZJJQHQLFXLQJ-JKSUJKDBSA-N 2 1 311.426 -0.212 20 30 DBEDMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001274642130 833114052 /nfs/dbraw/zinc/11/40/52/833114052.db2.gz BRSCUHTVUCRDIZ-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001274642130 833114054 /nfs/dbraw/zinc/11/40/54/833114054.db2.gz BRSCUHTVUCRDIZ-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644173 833115312 /nfs/dbraw/zinc/11/53/12/833115312.db2.gz OCUSZQBEAIGAHH-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644173 833115313 /nfs/dbraw/zinc/11/53/13/833115313.db2.gz OCUSZQBEAIGAHH-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401772 826957646 /nfs/dbraw/zinc/95/76/46/826957646.db2.gz KAMRQWOWJCVAPM-NRXISQOPSA-N 2 1 303.410 -0.069 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001100447253 826966753 /nfs/dbraw/zinc/96/67/53/826966753.db2.gz UREXBRUIRKGKMM-YMAMQOFZSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001100459906 826968955 /nfs/dbraw/zinc/96/89/55/826968955.db2.gz DUGDVUCGLASBPO-UHFFFAOYSA-N 2 1 322.453 -0.050 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100873113 827040490 /nfs/dbraw/zinc/04/04/90/827040490.db2.gz VCAHJNYNNIXEND-HSBZDZAISA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC001101815707 827150798 /nfs/dbraw/zinc/15/07/98/827150798.db2.gz PONUAVGUMLVNHW-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C)C1 ZINC001101815707 827150803 /nfs/dbraw/zinc/15/08/03/827150803.db2.gz PONUAVGUMLVNHW-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)[C@H](C)C1 ZINC001101815707 827150806 /nfs/dbraw/zinc/15/08/06/827150806.db2.gz PONUAVGUMLVNHW-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001275184456 833156464 /nfs/dbraw/zinc/15/64/64/833156464.db2.gz BKZPHJGLXMUMRP-KKUMJFAQSA-N 2 1 318.421 -0.684 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)CCc1cnc[nH]1 ZINC001275180460 833156636 /nfs/dbraw/zinc/15/66/36/833156636.db2.gz YBKGPLHBTJPACF-RYUDHWBXSA-N 2 1 305.382 -0.426 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC001102579579 827228826 /nfs/dbraw/zinc/22/88/26/827228826.db2.gz FMOMPHIDXFMQQJ-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372527 827440736 /nfs/dbraw/zinc/44/07/36/827440736.db2.gz LFUYLXULFGVQHG-GFCCVEGCSA-N 2 1 304.398 -0.111 20 30 DBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372527 827440738 /nfs/dbraw/zinc/44/07/38/827440738.db2.gz LFUYLXULFGVQHG-GFCCVEGCSA-N 2 1 304.398 -0.111 20 30 DBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372366 827440779 /nfs/dbraw/zinc/44/07/79/827440779.db2.gz BTRLOYSFXDQWFI-CYBMUJFWSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001164449025 833211013 /nfs/dbraw/zinc/21/10/13/833211013.db2.gz AUOUMFKAGNESFF-OAHLLOKOSA-N 2 1 322.453 -0.046 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001164577792 833221470 /nfs/dbraw/zinc/22/14/70/833221470.db2.gz SKSVTUZAUKTZBC-KKUMJFAQSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921552 833221908 /nfs/dbraw/zinc/22/19/08/833221908.db2.gz UWFFBACJECJASN-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921552 833221913 /nfs/dbraw/zinc/22/19/13/833221913.db2.gz UWFFBACJECJASN-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106982293 827690538 /nfs/dbraw/zinc/69/05/38/827690538.db2.gz HVNQEKZMIVSUJQ-HZSPNIEDSA-N 2 1 321.425 -0.738 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677775 833277842 /nfs/dbraw/zinc/27/78/42/833277842.db2.gz MWFXIAKJIGLPBM-KBPBESRZSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001168137521 833318298 /nfs/dbraw/zinc/31/82/98/833318298.db2.gz OOQCMEQKGJYYOW-AWEZNQCLSA-N 2 1 320.437 -0.436 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001168320630 833322663 /nfs/dbraw/zinc/32/26/63/833322663.db2.gz HNPNUDGATIMONN-UHFFFAOYSA-N 2 1 322.453 -0.048 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001124867393 829796927 /nfs/dbraw/zinc/79/69/27/829796927.db2.gz VHSRAYFJXYFXLC-AWEZNQCLSA-N 2 1 308.426 -0.013 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)[C@H]1C ZINC001180222585 833573052 /nfs/dbraw/zinc/57/30/52/833573052.db2.gz QBRROFXEJAFLCM-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127256641 829996145 /nfs/dbraw/zinc/99/61/45/829996145.db2.gz QGQOSMTUIISXFX-OLZOCXBDSA-N 2 1 307.398 -0.794 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001127685280 830023214 /nfs/dbraw/zinc/02/32/14/830023214.db2.gz LPUFZWIGEVLONI-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071930 830152321 /nfs/dbraw/zinc/15/23/21/830152321.db2.gz QMUFZNCPWPPDPO-KFWWJZLASA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129071930 830152323 /nfs/dbraw/zinc/15/23/23/830152323.db2.gz QMUFZNCPWPPDPO-KFWWJZLASA-N 2 1 318.425 -0.017 20 30 DBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129385307 830176771 /nfs/dbraw/zinc/17/67/71/830176771.db2.gz CYBGRJMVBLLJJL-CQSZACIVSA-N 2 1 309.414 -0.278 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C1CCC1 ZINC001129526946 830187064 /nfs/dbraw/zinc/18/70/64/830187064.db2.gz UHHPXHTZYJQKSW-UHFFFAOYSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685165 830201857 /nfs/dbraw/zinc/20/18/57/830201857.db2.gz OKINKKAQMBYZNM-KFWWJZLASA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001129770341 830208810 /nfs/dbraw/zinc/20/88/10/830208810.db2.gz DOLYMKVHOPZNQO-GJZGRUSLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC001129770341 830208815 /nfs/dbraw/zinc/20/88/15/830208815.db2.gz DOLYMKVHOPZNQO-GJZGRUSLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001130182869 830279183 /nfs/dbraw/zinc/27/91/83/830279183.db2.gz YMNHGZUGTILLQG-HZSPNIEDSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001130182869 830279191 /nfs/dbraw/zinc/27/91/91/830279191.db2.gz YMNHGZUGTILLQG-HZSPNIEDSA-N 2 1 324.425 -0.802 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192659 830280027 /nfs/dbraw/zinc/28/00/27/830280027.db2.gz QMBJMMOHRMXVSP-CHWSQXEVSA-N 2 1 307.398 -0.651 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCCC[N@@H+]2C)C1=O ZINC001130300154 830294099 /nfs/dbraw/zinc/29/40/99/830294099.db2.gz JLJJHTVYMNJDCK-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132739571 830688585 /nfs/dbraw/zinc/68/85/85/830688585.db2.gz SFSCLANGWOQEQY-HUUCEWRRSA-N 2 1 322.453 -0.048 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858920 830707275 /nfs/dbraw/zinc/70/72/75/830707275.db2.gz PAHZVWJHVODPRN-CYBMUJFWSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893406 830711798 /nfs/dbraw/zinc/71/17/98/830711798.db2.gz PHKBQZYNDUWEEJ-MJBXVCDLSA-N 2 1 308.426 -0.440 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001133824040 830832608 /nfs/dbraw/zinc/83/26/08/830832608.db2.gz WJWXKCVNWSKRML-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001133853602 830839235 /nfs/dbraw/zinc/83/92/35/830839235.db2.gz LUENQOVBRTVPFP-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001133869710 830843963 /nfs/dbraw/zinc/84/39/63/830843963.db2.gz JXZJSJFFTZQGOA-CYBMUJFWSA-N 2 1 319.409 -0.238 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028890 831001009 /nfs/dbraw/zinc/00/10/09/831001009.db2.gz JWPHJBOBHUEAJL-CHWSQXEVSA-N 2 1 319.409 -0.186 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135323352 831050766 /nfs/dbraw/zinc/05/07/66/831050766.db2.gz QXFNRMBNFLYHAL-UHFFFAOYSA-N 2 1 311.426 -0.156 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001183647036 833725928 /nfs/dbraw/zinc/72/59/28/833725928.db2.gz BRBNRXUIUGPBTG-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146591085 831285246 /nfs/dbraw/zinc/28/52/46/831285246.db2.gz FUWNJKVNUSGSAW-ZIAGYGMSSA-N 2 1 310.442 -0.051 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@H]2CC[N@H+](C)C2)C1=O ZINC001147885300 831414456 /nfs/dbraw/zinc/41/44/56/831414456.db2.gz LNNNDEWVRRCTRW-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699480 831639404 /nfs/dbraw/zinc/63/94/04/831639404.db2.gz JAPDQDXWKSWLMB-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150699480 831639408 /nfs/dbraw/zinc/63/94/08/831639408.db2.gz JAPDQDXWKSWLMB-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150699480 831639412 /nfs/dbraw/zinc/63/94/12/831639412.db2.gz JAPDQDXWKSWLMB-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150699480 831639416 /nfs/dbraw/zinc/63/94/16/831639416.db2.gz JAPDQDXWKSWLMB-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2nncn2C)CC1 ZINC001152329858 831741483 /nfs/dbraw/zinc/74/14/83/831741483.db2.gz CKQHHIJKMVKNRN-CYBMUJFWSA-N 2 1 318.425 -0.073 20 30 DBEDMP C[NH+](C)[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)c1ccccc1 ZINC001152521912 831759406 /nfs/dbraw/zinc/75/94/06/831759406.db2.gz FOYAYVIYRDLBCV-HNNXBMFYSA-N 2 1 317.393 -0.365 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155812513 831954037 /nfs/dbraw/zinc/95/40/37/831954037.db2.gz NXBMYIKPWPUTJP-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001155812510 831954387 /nfs/dbraw/zinc/95/43/87/831954387.db2.gz NXBMYIKPWPUTJP-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156883724 832007608 /nfs/dbraw/zinc/00/76/08/832007608.db2.gz VRCDPYYEWKKZJV-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001156883724 832007613 /nfs/dbraw/zinc/00/76/13/832007613.db2.gz VRCDPYYEWKKZJV-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001156883724 832007615 /nfs/dbraw/zinc/00/76/15/832007615.db2.gz VRCDPYYEWKKZJV-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001156883724 832007619 /nfs/dbraw/zinc/00/76/19/832007619.db2.gz VRCDPYYEWKKZJV-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890221 832008861 /nfs/dbraw/zinc/00/88/61/832008861.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890221 832008865 /nfs/dbraw/zinc/00/88/65/832008865.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156890221 832008868 /nfs/dbraw/zinc/00/88/68/832008868.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156890221 832008872 /nfs/dbraw/zinc/00/88/72/832008872.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156890221 832008876 /nfs/dbraw/zinc/00/88/76/832008876.db2.gz JTAVZUGXGVNPHT-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185659873 833805147 /nfs/dbraw/zinc/80/51/47/833805147.db2.gz RLMKHZRZIAFSMO-CHWSQXEVSA-N 2 1 307.398 -0.699 20 30 DBEDMP CC[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403211 832427676 /nfs/dbraw/zinc/42/76/76/832427676.db2.gz UGKOGETWZCWKNJ-UONOGXRCSA-N 2 1 323.441 -0.017 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269736519 832464326 /nfs/dbraw/zinc/46/43/26/832464326.db2.gz KNPSOBVWTJUZMJ-MRXNPFEDSA-N 2 1 321.425 -0.498 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269736519 832464334 /nfs/dbraw/zinc/46/43/34/832464334.db2.gz KNPSOBVWTJUZMJ-MRXNPFEDSA-N 2 1 321.425 -0.498 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001270041292 832492043 /nfs/dbraw/zinc/49/20/43/832492043.db2.gz BJGRELZWEQFMNL-IHRRRGAJSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001271890865 832713492 /nfs/dbraw/zinc/71/34/92/832713492.db2.gz CNLGCMJATBDQDS-SOUVJXGZSA-N 2 1 318.421 -0.922 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001271890865 832713500 /nfs/dbraw/zinc/71/35/00/832713500.db2.gz CNLGCMJATBDQDS-SOUVJXGZSA-N 2 1 318.421 -0.922 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001272413449 832783843 /nfs/dbraw/zinc/78/38/43/832783843.db2.gz DASHRRJIHFQBLU-GJZGRUSLSA-N 2 1 311.426 -0.424 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001272523734 832793211 /nfs/dbraw/zinc/79/32/11/832793211.db2.gz KXQANHMKPYJPBY-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001160197724 832884036 /nfs/dbraw/zinc/88/40/36/832884036.db2.gz DRTFAIVHDNXGHD-AWEZNQCLSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NC(C)C ZINC001160197724 832884042 /nfs/dbraw/zinc/88/40/42/832884042.db2.gz DRTFAIVHDNXGHD-AWEZNQCLSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089053 832974910 /nfs/dbraw/zinc/97/49/10/832974910.db2.gz HHYIIUHXZJTPJM-UHFFFAOYSA-N 2 1 320.437 -0.174 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CCNC(=O)CC[NH+](C)C)CC1 ZINC001161089053 832974915 /nfs/dbraw/zinc/97/49/15/832974915.db2.gz HHYIIUHXZJTPJM-UHFFFAOYSA-N 2 1 320.437 -0.174 20 30 DBEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001273866965 832975490 /nfs/dbraw/zinc/97/54/90/832975490.db2.gz OSLXGQWGLYOZQL-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001273866965 832975495 /nfs/dbraw/zinc/97/54/95/832975495.db2.gz OSLXGQWGLYOZQL-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC001179337749 833543410 /nfs/dbraw/zinc/54/34/10/833543410.db2.gz WEIGFEIJENCMPP-IHRRRGAJSA-N 2 1 321.425 -0.311 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676323 833686584 /nfs/dbraw/zinc/68/65/84/833686584.db2.gz HCGUMBNERWSUJE-MGPQQGTHSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184302758 833756517 /nfs/dbraw/zinc/75/65/17/833756517.db2.gz YPTBKLPWHOXVJS-CYBMUJFWSA-N 2 1 303.366 -0.869 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001277020314 833919915 /nfs/dbraw/zinc/91/99/15/833919915.db2.gz OBCBPQDGEYRMFL-CHWSQXEVSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187841418 833952509 /nfs/dbraw/zinc/95/25/09/833952509.db2.gz AOYFLZPRNNJHGO-CYBMUJFWSA-N 2 1 303.366 -0.869 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187852032 833953314 /nfs/dbraw/zinc/95/33/14/833953314.db2.gz ZOEMRFRVHYJIAR-TZMCWYRMSA-N 2 1 317.393 -0.480 20 30 DBEDMP CC[C@@H](C(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1)[NH+](C)C ZINC001277440600 833954827 /nfs/dbraw/zinc/95/48/27/833954827.db2.gz CTNBYKFQDLMIOK-AWEZNQCLSA-N 2 1 323.441 -0.111 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188314552 833976876 /nfs/dbraw/zinc/97/68/76/833976876.db2.gz LPMSAIAYBOZZTC-RRFJBIMHSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001188314552 833976884 /nfs/dbraw/zinc/97/68/84/833976884.db2.gz LPMSAIAYBOZZTC-RRFJBIMHSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189144100 834053427 /nfs/dbraw/zinc/05/34/27/834053427.db2.gz LPMSAIAYBOZZTC-SOUVJXGZSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001189144100 834053434 /nfs/dbraw/zinc/05/34/34/834053434.db2.gz LPMSAIAYBOZZTC-SOUVJXGZSA-N 2 1 320.437 -0.391 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655146 834178039 /nfs/dbraw/zinc/17/80/39/834178039.db2.gz NTRNRHFECTUTHW-ZFWWWQNUSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655146 834178043 /nfs/dbraw/zinc/17/80/43/834178043.db2.gz NTRNRHFECTUTHW-ZFWWWQNUSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675484 834179101 /nfs/dbraw/zinc/17/91/01/834179101.db2.gz OQIVSZQVJDONIO-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675484 834179107 /nfs/dbraw/zinc/17/91/07/834179107.db2.gz OQIVSZQVJDONIO-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001190675484 834179113 /nfs/dbraw/zinc/17/91/13/834179113.db2.gz OQIVSZQVJDONIO-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001190675484 834179116 /nfs/dbraw/zinc/17/91/16/834179116.db2.gz OQIVSZQVJDONIO-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192006292 834316551 /nfs/dbraw/zinc/31/65/51/834316551.db2.gz GIFCAKFVUHKNCX-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192006292 834316561 /nfs/dbraw/zinc/31/65/61/834316561.db2.gz GIFCAKFVUHKNCX-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192006304 834316683 /nfs/dbraw/zinc/31/66/83/834316683.db2.gz GIFCAKFVUHKNCX-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001192006304 834316693 /nfs/dbraw/zinc/31/66/93/834316693.db2.gz GIFCAKFVUHKNCX-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046279 834320816 /nfs/dbraw/zinc/32/08/16/834320816.db2.gz MGUAHGQPJJWJIG-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046282 834321853 /nfs/dbraw/zinc/32/18/53/834321853.db2.gz MGUAHGQPJJWJIG-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153322 834335333 /nfs/dbraw/zinc/33/53/33/834335333.db2.gz OLOUHZOAQGNCBS-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153321 834336481 /nfs/dbraw/zinc/33/64/81/834336481.db2.gz OLOUHZOAQGNCBS-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342570 834360022 /nfs/dbraw/zinc/36/00/22/834360022.db2.gz HAQJSNBXQVIEKR-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342570 834360033 /nfs/dbraw/zinc/36/00/33/834360033.db2.gz HAQJSNBXQVIEKR-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192342570 834360043 /nfs/dbraw/zinc/36/00/43/834360043.db2.gz HAQJSNBXQVIEKR-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192342570 834360055 /nfs/dbraw/zinc/36/00/55/834360055.db2.gz HAQJSNBXQVIEKR-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342572 834360302 /nfs/dbraw/zinc/36/03/02/834360302.db2.gz HAQJSNBXQVIEKR-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342572 834360310 /nfs/dbraw/zinc/36/03/10/834360310.db2.gz HAQJSNBXQVIEKR-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192342572 834360320 /nfs/dbraw/zinc/36/03/20/834360320.db2.gz HAQJSNBXQVIEKR-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192342572 834360329 /nfs/dbraw/zinc/36/03/29/834360329.db2.gz HAQJSNBXQVIEKR-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP CCC(=O)On1nc2c(c1NC[C@@]1(O)CC[NH2+]C1)C[NH2+]C2(C)C ZINC001245959939 834405491 /nfs/dbraw/zinc/40/54/91/834405491.db2.gz OJXMRKXVKVOBLY-OAHLLOKOSA-N 2 1 323.397 -0.277 20 30 DBEDMP C#CCOC[C@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048129 834412784 /nfs/dbraw/zinc/41/27/84/834412784.db2.gz VPYCZLASSRJBMW-IIAWOOMASA-N 2 1 310.394 -0.528 20 30 DBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246045461 834413111 /nfs/dbraw/zinc/41/31/11/834413111.db2.gz KJOFXZJSWBYXIE-HNLJFRNMSA-N 2 1 322.405 -0.672 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@H]1CN[C@@H](C(=O)OC)C1 ZINC001246305486 834429059 /nfs/dbraw/zinc/42/90/59/834429059.db2.gz IAZULTYDVPUZAH-FRRDWIJNSA-N 2 1 313.398 -0.294 20 30 DBEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192848388 834432282 /nfs/dbraw/zinc/43/22/82/834432282.db2.gz WAMFGLQRXKRFLV-MRXNPFEDSA-N 2 1 323.437 -0.109 20 30 DBEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192848388 834432287 /nfs/dbraw/zinc/43/22/87/834432287.db2.gz WAMFGLQRXKRFLV-MRXNPFEDSA-N 2 1 323.437 -0.109 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468146 834500043 /nfs/dbraw/zinc/50/00/43/834500043.db2.gz BETGTNVGNVXKMN-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468146 834500046 /nfs/dbraw/zinc/50/00/46/834500046.db2.gz BETGTNVGNVXKMN-AWEZNQCLSA-N 2 1 318.421 -0.636 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469490 834501222 /nfs/dbraw/zinc/50/12/22/834501222.db2.gz RGBRNRRTGXKFRL-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193469490 834501227 /nfs/dbraw/zinc/50/12/27/834501227.db2.gz RGBRNRRTGXKFRL-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001251847395 834509311 /nfs/dbraw/zinc/50/93/11/834509311.db2.gz FCFHQIWCGXMNIS-CQSZACIVSA-N 2 1 300.399 -0.186 20 30 DBEDMP C#CCOC[C@H](O)C[N@H+](CCC[NH+](C)C)CCC(=O)OC ZINC001251847395 834509316 /nfs/dbraw/zinc/50/93/16/834509316.db2.gz FCFHQIWCGXMNIS-CQSZACIVSA-N 2 1 300.399 -0.186 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640868 834519256 /nfs/dbraw/zinc/51/92/56/834519256.db2.gz FZCORHRKVHOUBM-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640868 834519262 /nfs/dbraw/zinc/51/92/62/834519262.db2.gz FZCORHRKVHOUBM-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640868 834519268 /nfs/dbraw/zinc/51/92/68/834519268.db2.gz FZCORHRKVHOUBM-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194028433 834560456 /nfs/dbraw/zinc/56/04/56/834560456.db2.gz ZQYMHQIBISTLND-ZDUSSCGKSA-N 2 1 307.398 -0.745 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194028433 834560460 /nfs/dbraw/zinc/56/04/60/834560460.db2.gz ZQYMHQIBISTLND-ZDUSSCGKSA-N 2 1 307.398 -0.745 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NC)C2)CC1 ZINC001194246966 834580273 /nfs/dbraw/zinc/58/02/73/834580273.db2.gz UNENZPDGVRFOSL-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NC)C2)CC1 ZINC001194246966 834580277 /nfs/dbraw/zinc/58/02/77/834580277.db2.gz UNENZPDGVRFOSL-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194285953 834585625 /nfs/dbraw/zinc/58/56/25/834585625.db2.gz VLWBTOGKSBIVNE-AWEZNQCLSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194285953 834585631 /nfs/dbraw/zinc/58/56/31/834585631.db2.gz VLWBTOGKSBIVNE-AWEZNQCLSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194285953 834585641 /nfs/dbraw/zinc/58/56/41/834585641.db2.gz VLWBTOGKSBIVNE-AWEZNQCLSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194285953 834585650 /nfs/dbraw/zinc/58/56/50/834585650.db2.gz VLWBTOGKSBIVNE-AWEZNQCLSA-N 2 1 308.426 -0.391 20 30 DBEDMP CN(C)CC#CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001256584510 834631427 /nfs/dbraw/zinc/63/14/27/834631427.db2.gz FJNHAUOIMNEYOC-HZPDHXFCSA-N 2 1 323.485 -0.068 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001195830215 834728562 /nfs/dbraw/zinc/72/85/62/834728562.db2.gz ZPMQJQMDKGYSHO-HUUCEWRRSA-N 2 1 311.426 -0.308 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252341 834772981 /nfs/dbraw/zinc/77/29/81/834772981.db2.gz ZNAZSBKXUWEHPT-ARFHVFGLSA-N 2 1 323.437 -0.328 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196252341 834772988 /nfs/dbraw/zinc/77/29/88/834772988.db2.gz ZNAZSBKXUWEHPT-ARFHVFGLSA-N 2 1 323.437 -0.328 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CC[N@H+]1CC#CCOC ZINC001264049282 835003199 /nfs/dbraw/zinc/00/31/99/835003199.db2.gz ULNHRUWEDIBESQ-ARFHVFGLSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@H]2CN(C)CCO2)CCN1CC#CCOC ZINC001264049282 835003206 /nfs/dbraw/zinc/00/32/06/835003206.db2.gz ULNHRUWEDIBESQ-ARFHVFGLSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264147334 835017459 /nfs/dbraw/zinc/01/74/59/835017459.db2.gz MWGHLBURXXTGEZ-YCPHGPKFSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1C ZINC001264147334 835017469 /nfs/dbraw/zinc/01/74/69/835017469.db2.gz MWGHLBURXXTGEZ-YCPHGPKFSA-N 2 1 322.453 -0.099 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199827552 835060369 /nfs/dbraw/zinc/06/03/69/835060369.db2.gz ZEFMWEFSCYHPAC-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001265257649 835116715 /nfs/dbraw/zinc/11/67/15/835116715.db2.gz KBAKFRLTCCNABS-HNNXBMFYSA-N 2 1 310.442 -0.373 20 30 DBEDMP C=CCC[NH+]1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001265257649 835116721 /nfs/dbraw/zinc/11/67/21/835116721.db2.gz KBAKFRLTCCNABS-HNNXBMFYSA-N 2 1 310.442 -0.373 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001265358683 835132852 /nfs/dbraw/zinc/13/28/52/835132852.db2.gz NWWWPUNZQLPPLG-GJZGRUSLSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001265358683 835132857 /nfs/dbraw/zinc/13/28/57/835132857.db2.gz NWWWPUNZQLPPLG-GJZGRUSLSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265459772 835143923 /nfs/dbraw/zinc/14/39/23/835143923.db2.gz MTGIOYMAYKDESQ-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265458491 835144368 /nfs/dbraw/zinc/14/43/68/835144368.db2.gz ZOEMRFRVHYJIAR-OCCSQVGLSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265476971 835146055 /nfs/dbraw/zinc/14/60/55/835146055.db2.gz WWWIILYQUHWMAH-RBSFLKMASA-N 2 1 320.437 -0.155 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001265494967 835147847 /nfs/dbraw/zinc/14/78/47/835147847.db2.gz XKLCWTSAYZQZDG-MGPQQGTHSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200721226 835147955 /nfs/dbraw/zinc/14/79/55/835147955.db2.gz JZHJHEGGWRCFPY-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CCO)C1 ZINC001200721226 835147958 /nfs/dbraw/zinc/14/79/58/835147958.db2.gz JZHJHEGGWRCFPY-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)COC)CC1 ZINC001201094117 835168305 /nfs/dbraw/zinc/16/83/05/835168305.db2.gz ODLWLSUPEYEOPJ-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H](O)COC)CC1 ZINC001201094117 835168310 /nfs/dbraw/zinc/16/83/10/835168310.db2.gz ODLWLSUPEYEOPJ-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001265785823 835172103 /nfs/dbraw/zinc/17/21/03/835172103.db2.gz IIDZRCPPZOBDSB-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N1CCC1 ZINC001265785823 835172109 /nfs/dbraw/zinc/17/21/09/835172109.db2.gz IIDZRCPPZOBDSB-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001201267878 835179422 /nfs/dbraw/zinc/17/94/22/835179422.db2.gz SILNHFBXDNYYFJ-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2cnn(C)n2)CC1 ZINC001265870383 835188636 /nfs/dbraw/zinc/18/86/36/835188636.db2.gz OPDXUYBWFXVCMJ-CYBMUJFWSA-N 2 1 318.425 -0.245 20 30 DBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265912656 835198434 /nfs/dbraw/zinc/19/84/34/835198434.db2.gz IRYFHRKMZWLEHU-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201631178 835200089 /nfs/dbraw/zinc/20/00/89/835200089.db2.gz BFIRLDMGDGRAON-UHFFFAOYSA-N 2 1 318.381 -0.588 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266026846 835219259 /nfs/dbraw/zinc/21/92/59/835219259.db2.gz SXMCJKRXPZRFKP-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC ZINC001266151291 835238741 /nfs/dbraw/zinc/23/87/41/835238741.db2.gz BBPMYFUYPBKGIT-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC ZINC001266151291 835238749 /nfs/dbraw/zinc/23/87/49/835238749.db2.gz BBPMYFUYPBKGIT-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203203806 835286680 /nfs/dbraw/zinc/28/66/80/835286680.db2.gz RNSRVUJAHCWRBD-UHFFFAOYSA-N 2 1 309.414 -0.451 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001266352698 835289030 /nfs/dbraw/zinc/28/90/30/835289030.db2.gz GKHBEHMPUVHVOS-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266352698 835289037 /nfs/dbraw/zinc/28/90/37/835289037.db2.gz GKHBEHMPUVHVOS-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352698 835289044 /nfs/dbraw/zinc/28/90/44/835289044.db2.gz GKHBEHMPUVHVOS-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001266352698 835289048 /nfs/dbraw/zinc/28/90/48/835289048.db2.gz GKHBEHMPUVHVOS-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266352616 835289248 /nfs/dbraw/zinc/28/92/48/835289248.db2.gz FCRDTMLJFGVZGA-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266352616 835289253 /nfs/dbraw/zinc/28/92/53/835289253.db2.gz FCRDTMLJFGVZGA-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352616 835289258 /nfs/dbraw/zinc/28/92/58/835289258.db2.gz FCRDTMLJFGVZGA-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352616 835289265 /nfs/dbraw/zinc/28/92/65/835289265.db2.gz FCRDTMLJFGVZGA-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266349713 835289413 /nfs/dbraw/zinc/28/94/13/835289413.db2.gz LHTXGGMWQHDJQC-HNNXBMFYSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266349713 835289421 /nfs/dbraw/zinc/28/94/21/835289421.db2.gz LHTXGGMWQHDJQC-HNNXBMFYSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437893 835307776 /nfs/dbraw/zinc/30/77/76/835307776.db2.gz PJVPQMKNFVEPLB-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001266437893 835307786 /nfs/dbraw/zinc/30/77/86/835307786.db2.gz PJVPQMKNFVEPLB-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001266437893 835307795 /nfs/dbraw/zinc/30/77/95/835307795.db2.gz PJVPQMKNFVEPLB-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001266437893 835307804 /nfs/dbraw/zinc/30/78/04/835307804.db2.gz PJVPQMKNFVEPLB-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437891 835308517 /nfs/dbraw/zinc/30/85/17/835308517.db2.gz PJVPQMKNFVEPLB-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437891 835308524 /nfs/dbraw/zinc/30/85/24/835308524.db2.gz PJVPQMKNFVEPLB-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266437891 835308532 /nfs/dbraw/zinc/30/85/32/835308532.db2.gz PJVPQMKNFVEPLB-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266437891 835308537 /nfs/dbraw/zinc/30/85/37/835308537.db2.gz PJVPQMKNFVEPLB-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001203925308 835311461 /nfs/dbraw/zinc/31/14/61/835311461.db2.gz MKUMZZVUJDJFMS-UHFFFAOYSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001266531706 835329409 /nfs/dbraw/zinc/32/94/09/835329409.db2.gz CEDNAGGZQQOOPT-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001266538760 835331348 /nfs/dbraw/zinc/33/13/48/835331348.db2.gz RMFFXDFWESZQFH-ZDUSSCGKSA-N 2 1 305.382 -0.316 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001266546909 835334905 /nfs/dbraw/zinc/33/49/05/835334905.db2.gz ZGRRYMLQXSBOCM-CQSZACIVSA-N 2 1 320.437 -0.178 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266549360 835335635 /nfs/dbraw/zinc/33/56/35/835335635.db2.gz UFJQNEXIXVVVCJ-KBPBESRZSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266549360 835335643 /nfs/dbraw/zinc/33/56/43/835335643.db2.gz UFJQNEXIXVVVCJ-KBPBESRZSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266549360 835335651 /nfs/dbraw/zinc/33/56/51/835335651.db2.gz UFJQNEXIXVVVCJ-KBPBESRZSA-N 2 1 308.426 -0.322 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001266718405 835367666 /nfs/dbraw/zinc/36/76/66/835367666.db2.gz OBBUQIULNYOSAX-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770126 835380971 /nfs/dbraw/zinc/38/09/71/835380971.db2.gz OVRSDBAZUZUBCO-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770126 835380978 /nfs/dbraw/zinc/38/09/78/835380978.db2.gz OVRSDBAZUZUBCO-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266770126 835380986 /nfs/dbraw/zinc/38/09/86/835380986.db2.gz OVRSDBAZUZUBCO-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266770126 835380992 /nfs/dbraw/zinc/38/09/92/835380992.db2.gz OVRSDBAZUZUBCO-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001267024903 835431326 /nfs/dbraw/zinc/43/13/26/835431326.db2.gz YJLQMMNSHFKVEI-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC(N)=O)C(C)C ZINC001267272771 835474389 /nfs/dbraw/zinc/47/43/89/835474389.db2.gz BIAGRGTWGIVJOU-AWEZNQCLSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC(N)=O)C(C)C ZINC001267272771 835474391 /nfs/dbraw/zinc/47/43/91/835474391.db2.gz BIAGRGTWGIVJOU-AWEZNQCLSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C(C)C ZINC001267272771 835474392 /nfs/dbraw/zinc/47/43/92/835474392.db2.gz BIAGRGTWGIVJOU-AWEZNQCLSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC(N)=O)C(C)C ZINC001267272771 835474393 /nfs/dbraw/zinc/47/43/93/835474393.db2.gz BIAGRGTWGIVJOU-AWEZNQCLSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267282689 835475454 /nfs/dbraw/zinc/47/54/54/835475454.db2.gz RQYBNTOFNQOQSS-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267282689 835475456 /nfs/dbraw/zinc/47/54/56/835475456.db2.gz RQYBNTOFNQOQSS-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282689 835475459 /nfs/dbraw/zinc/47/54/59/835475459.db2.gz RQYBNTOFNQOQSS-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282689 835475462 /nfs/dbraw/zinc/47/54/62/835475462.db2.gz RQYBNTOFNQOQSS-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001267280080 835475588 /nfs/dbraw/zinc/47/55/88/835475588.db2.gz QTXFZTWZYYLJCJ-AWEZNQCLSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001267280080 835475591 /nfs/dbraw/zinc/47/55/91/835475591.db2.gz QTXFZTWZYYLJCJ-AWEZNQCLSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)C[N@@H+](C)CC(C)(C)C ZINC001267429391 835511015 /nfs/dbraw/zinc/51/10/15/835511015.db2.gz ZYRWJRFANZOVDH-UHFFFAOYSA-N 2 1 310.442 -0.238 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267730558 835579273 /nfs/dbraw/zinc/57/92/73/835579273.db2.gz RJMHIDLJXDWPJP-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267730558 835579279 /nfs/dbraw/zinc/57/92/79/835579279.db2.gz RJMHIDLJXDWPJP-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP CC[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831968 835604768 /nfs/dbraw/zinc/60/47/68/835604768.db2.gz VXLCZGCKXFPAPQ-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001267927550 835610489 /nfs/dbraw/zinc/61/04/89/835610489.db2.gz FVHFRHHMQGOENI-MGPQQGTHSA-N 2 1 321.425 -0.263 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001267953083 835612365 /nfs/dbraw/zinc/61/23/65/835612365.db2.gz FDODZKMLTLWZGK-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268098553 835632076 /nfs/dbraw/zinc/63/20/76/835632076.db2.gz UAJSGCXKQALFNB-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746884 835796431 /nfs/dbraw/zinc/79/64/31/835796431.db2.gz OGPFGQBYAFQRLQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746884 835796440 /nfs/dbraw/zinc/79/64/40/835796440.db2.gz OGPFGQBYAFQRLQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268746884 835796451 /nfs/dbraw/zinc/79/64/51/835796451.db2.gz OGPFGQBYAFQRLQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268746884 835796459 /nfs/dbraw/zinc/79/64/59/835796459.db2.gz OGPFGQBYAFQRLQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743371 835796495 /nfs/dbraw/zinc/79/64/95/835796495.db2.gz QUFKPPIBTIRBDQ-ILXRZTDVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743371 835796506 /nfs/dbraw/zinc/79/65/06/835796506.db2.gz QUFKPPIBTIRBDQ-ILXRZTDVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268743371 835796514 /nfs/dbraw/zinc/79/65/14/835796514.db2.gz QUFKPPIBTIRBDQ-ILXRZTDVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268743371 835796525 /nfs/dbraw/zinc/79/65/25/835796525.db2.gz QUFKPPIBTIRBDQ-ILXRZTDVSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750450 835797308 /nfs/dbraw/zinc/79/73/08/835797308.db2.gz AKSDZOKBVJUKSN-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750450 835797317 /nfs/dbraw/zinc/79/73/17/835797317.db2.gz AKSDZOKBVJUKSN-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268750450 835797327 /nfs/dbraw/zinc/79/73/27/835797327.db2.gz AKSDZOKBVJUKSN-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268750450 835797335 /nfs/dbraw/zinc/79/73/35/835797335.db2.gz AKSDZOKBVJUKSN-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1c[nH+]cc1C ZINC001268808945 835812128 /nfs/dbraw/zinc/81/21/28/835812128.db2.gz UJFZBVVPKXNNLD-UHFFFAOYSA-N 2 1 305.382 -0.621 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485352077 1013147201 /nfs/dbraw/zinc/14/72/01/1013147201.db2.gz XMGYIAJLSXETQU-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001485352077 1013147178 /nfs/dbraw/zinc/14/71/78/1013147178.db2.gz XMGYIAJLSXETQU-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001485352077 1013147191 /nfs/dbraw/zinc/14/71/91/1013147191.db2.gz XMGYIAJLSXETQU-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001485352077 1013147196 /nfs/dbraw/zinc/14/71/96/1013147196.db2.gz XMGYIAJLSXETQU-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485578826 1013278230 /nfs/dbraw/zinc/27/82/30/1013278230.db2.gz DLQZIDQQGNMPMZ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485578826 1013278238 /nfs/dbraw/zinc/27/82/38/1013278238.db2.gz DLQZIDQQGNMPMZ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485578826 1013278243 /nfs/dbraw/zinc/27/82/43/1013278243.db2.gz DLQZIDQQGNMPMZ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485578826 1013278249 /nfs/dbraw/zinc/27/82/49/1013278249.db2.gz DLQZIDQQGNMPMZ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001485594945 1013288175 /nfs/dbraw/zinc/28/81/75/1013288175.db2.gz RPTBMWVHATZMKN-APIJFGDWSA-N 2 1 320.437 -0.323 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C)C(C)C ZINC001485781812 1013366570 /nfs/dbraw/zinc/36/65/70/1013366570.db2.gz DETURAIHBHYQON-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP COCC#CC[NH2+][C@@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001485935267 1013440088 /nfs/dbraw/zinc/44/00/88/1013440088.db2.gz QLUYRIMBYVUTLX-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486090926 1013668912 /nfs/dbraw/zinc/66/89/12/1013668912.db2.gz DZVAMVRCXSNTQY-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@H]1C ZINC001486092234 1013671723 /nfs/dbraw/zinc/67/17/23/1013671723.db2.gz CGTXUHVXOGAGCQ-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001486251259 1013729036 /nfs/dbraw/zinc/72/90/36/1013729036.db2.gz XZTUBMRXZBCGRN-ZDUSSCGKSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@@H+]2C)[nH]n1 ZINC001486278309 1013775742 /nfs/dbraw/zinc/77/57/42/1013775742.db2.gz NBSGVDIHSPLRQL-SWLSCSKDSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)c1cc([C@H]2CCC[N@H+]2C)[nH]n1 ZINC001486278309 1013775751 /nfs/dbraw/zinc/77/57/51/1013775751.db2.gz NBSGVDIHSPLRQL-SWLSCSKDSA-N 2 1 319.409 -0.168 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CCCO ZINC001486340273 1013820947 /nfs/dbraw/zinc/82/09/47/1013820947.db2.gz HCLNTHGKZKCRHF-GJZGRUSLSA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CCCO ZINC001486340273 1013820950 /nfs/dbraw/zinc/82/09/50/1013820950.db2.gz HCLNTHGKZKCRHF-GJZGRUSLSA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO ZINC001486340273 1013820956 /nfs/dbraw/zinc/82/09/56/1013820956.db2.gz HCLNTHGKZKCRHF-GJZGRUSLSA-N 2 1 311.426 -0.783 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CCCO ZINC001486340273 1013820957 /nfs/dbraw/zinc/82/09/57/1013820957.db2.gz HCLNTHGKZKCRHF-GJZGRUSLSA-N 2 1 311.426 -0.783 20 30 DBEDMP COCC#CC[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001486433372 1013841389 /nfs/dbraw/zinc/84/13/89/1013841389.db2.gz YYCKUVMHXKLZJM-UHFFFAOYSA-N 2 1 323.437 -0.203 20 30 DBEDMP COCC#CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCOC ZINC001486433372 1013841390 /nfs/dbraw/zinc/84/13/90/1013841390.db2.gz YYCKUVMHXKLZJM-UHFFFAOYSA-N 2 1 323.437 -0.203 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001486522164 1013855993 /nfs/dbraw/zinc/85/59/93/1013855993.db2.gz YQWOYJAULHVQFG-UHFFFAOYSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001486522164 1013855994 /nfs/dbraw/zinc/85/59/94/1013855994.db2.gz YQWOYJAULHVQFG-UHFFFAOYSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486522164 1013855996 /nfs/dbraw/zinc/85/59/96/1013855996.db2.gz YQWOYJAULHVQFG-UHFFFAOYSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)C[NH+](C)C(C)C)CC1 ZINC001486522164 1013855999 /nfs/dbraw/zinc/85/59/99/1013855999.db2.gz YQWOYJAULHVQFG-UHFFFAOYSA-N 2 1 320.437 -0.176 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689015 978237916 /nfs/dbraw/zinc/23/79/16/978237916.db2.gz VGYBQECVDHLUJQ-CHWSQXEVSA-N 2 1 307.398 -0.699 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733905 978250901 /nfs/dbraw/zinc/25/09/01/978250901.db2.gz AQCDIYLTUJCPQF-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733905 978250909 /nfs/dbraw/zinc/25/09/09/978250909.db2.gz AQCDIYLTUJCPQF-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208352877 978348495 /nfs/dbraw/zinc/34/84/95/978348495.db2.gz RJMXPPMVOKQKGK-XHSDSOJGSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001208352877 978348501 /nfs/dbraw/zinc/34/85/01/978348501.db2.gz RJMXPPMVOKQKGK-XHSDSOJGSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001208353058 978348588 /nfs/dbraw/zinc/34/85/88/978348588.db2.gz WINGCGYRISVWSU-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001208353058 978348598 /nfs/dbraw/zinc/34/85/98/978348598.db2.gz WINGCGYRISVWSU-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424414 978362725 /nfs/dbraw/zinc/36/27/25/978362725.db2.gz YLTMCOBRALQUQS-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001208423478 978364688 /nfs/dbraw/zinc/36/46/88/978364688.db2.gz LJBAGFBQVJMLQU-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485946 978381094 /nfs/dbraw/zinc/38/10/94/978381094.db2.gz XLCQUKJQZXDJPJ-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001208485946 978381107 /nfs/dbraw/zinc/38/11/07/978381107.db2.gz XLCQUKJQZXDJPJ-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208568444 978393869 /nfs/dbraw/zinc/39/38/69/978393869.db2.gz JEHIHUYERCNXMI-CQSZACIVSA-N 2 1 317.393 -0.478 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001209633791 978468936 /nfs/dbraw/zinc/46/89/36/978468936.db2.gz XYNDFWWKVNBVBZ-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CCC)C1 ZINC001210485880 978514001 /nfs/dbraw/zinc/51/40/01/978514001.db2.gz NJIUGOIPDSBEOM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CCC)C1 ZINC001210485880 978514004 /nfs/dbraw/zinc/51/40/04/978514004.db2.gz NJIUGOIPDSBEOM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210485880 978514006 /nfs/dbraw/zinc/51/40/06/978514006.db2.gz NJIUGOIPDSBEOM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CCC)C1 ZINC001210485880 978514009 /nfs/dbraw/zinc/51/40/09/978514009.db2.gz NJIUGOIPDSBEOM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064245 978552212 /nfs/dbraw/zinc/55/22/12/978552212.db2.gz LLGZUZNILXVWOD-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001211064242 978552985 /nfs/dbraw/zinc/55/29/85/978552985.db2.gz LLGZUZNILXVWOD-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177540 978558012 /nfs/dbraw/zinc/55/80/12/978558012.db2.gz WZPCGJSMXMJZMQ-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001211177540 978558019 /nfs/dbraw/zinc/55/80/19/978558019.db2.gz WZPCGJSMXMJZMQ-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950573 978757141 /nfs/dbraw/zinc/75/71/41/978757141.db2.gz SWDGVRICPRTTQG-KLHDSHLOSA-N 2 1 323.437 -0.208 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214950573 978757145 /nfs/dbraw/zinc/75/71/45/978757145.db2.gz SWDGVRICPRTTQG-KLHDSHLOSA-N 2 1 323.437 -0.208 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001216853424 978795708 /nfs/dbraw/zinc/79/57/08/978795708.db2.gz AYEVGKLIOFXENC-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001225428242 979596495 /nfs/dbraw/zinc/59/64/95/979596495.db2.gz YYHCOTPJRLZFFR-OAHLLOKOSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001325111789 979703045 /nfs/dbraw/zinc/70/30/45/979703045.db2.gz WDVGTHBUDQLNNK-BBRMVZONSA-N 2 1 302.378 -0.368 20 30 DBEDMP C#CCN1CC[C@](O)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001325111789 979703049 /nfs/dbraw/zinc/70/30/49/979703049.db2.gz WDVGTHBUDQLNNK-BBRMVZONSA-N 2 1 302.378 -0.368 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001327181584 979795419 /nfs/dbraw/zinc/79/54/19/979795419.db2.gz SMMHXCRCDGLNOY-CABCVRRESA-N 2 1 323.441 -0.470 20 30 DBEDMP CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC[N@@H+](C)CC1 ZINC001343027215 979916494 /nfs/dbraw/zinc/91/64/94/979916494.db2.gz ZYATXCUSGYRHSS-CKDBGZEDSA-N 2 1 319.453 -0.168 20 30 DBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@H]2CC[N@H+](C)C2)n1 ZINC001489080025 1014677520 /nfs/dbraw/zinc/67/75/20/1014677520.db2.gz BYZBTUDGRUIAOK-LBPRGKRZSA-N 2 1 317.393 -0.137 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001355700599 980907349 /nfs/dbraw/zinc/90/73/49/980907349.db2.gz GUAWAMRNJLMCRP-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)CC[NH+](C)C ZINC001355700599 980907354 /nfs/dbraw/zinc/90/73/54/980907354.db2.gz GUAWAMRNJLMCRP-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001489352283 1014767630 /nfs/dbraw/zinc/76/76/30/1014767630.db2.gz AQUGEFYDNFPZNS-HNNXBMFYSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001489352283 1014767636 /nfs/dbraw/zinc/76/76/36/1014767636.db2.gz AQUGEFYDNFPZNS-HNNXBMFYSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001489352283 1014767651 /nfs/dbraw/zinc/76/76/51/1014767651.db2.gz AQUGEFYDNFPZNS-HNNXBMFYSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001489352283 1014767663 /nfs/dbraw/zinc/76/76/63/1014767663.db2.gz AQUGEFYDNFPZNS-HNNXBMFYSA-N 2 1 309.410 -0.765 20 30 DBEDMP C[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC(=O)NCC#N ZINC001490233267 1014899750 /nfs/dbraw/zinc/89/97/50/1014899750.db2.gz QSIRHSFSOIEYFE-UHFFFAOYSA-N 2 1 323.441 -0.061 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393403 1014950864 /nfs/dbraw/zinc/95/08/64/1014950864.db2.gz FSTQZBDOEWFYBM-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NCCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393403 1014950874 /nfs/dbraw/zinc/95/08/74/1014950874.db2.gz FSTQZBDOEWFYBM-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NCCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001490393403 1014950882 /nfs/dbraw/zinc/95/08/82/1014950882.db2.gz FSTQZBDOEWFYBM-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490416363 1014961163 /nfs/dbraw/zinc/96/11/63/1014961163.db2.gz LENJAZREXJWFKS-UHFFFAOYSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001367727006 984575205 /nfs/dbraw/zinc/57/52/05/984575205.db2.gz ZPZZBKZEFAFRGT-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001490897112 1015155501 /nfs/dbraw/zinc/15/55/01/1015155501.db2.gz CXTPEPHKJONKLK-KKUMJFAQSA-N 2 1 316.405 -0.930 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001490897112 1015155505 /nfs/dbraw/zinc/15/55/05/1015155505.db2.gz CXTPEPHKJONKLK-KKUMJFAQSA-N 2 1 316.405 -0.930 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001491026321 1015196871 /nfs/dbraw/zinc/19/68/71/1015196871.db2.gz NAUUQJUFHYXVQQ-ZNMIVQPWSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491804078 1015630162 /nfs/dbraw/zinc/63/01/62/1015630162.db2.gz CJELDBNDRKDPQJ-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001491947108 1015678201 /nfs/dbraw/zinc/67/82/01/1015678201.db2.gz PCLFZIYWNQJREA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001491947108 1015678208 /nfs/dbraw/zinc/67/82/08/1015678208.db2.gz PCLFZIYWNQJREA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494624952 1016351838 /nfs/dbraw/zinc/35/18/38/1016351838.db2.gz HMYBHAQACQGCAE-OCCSQVGLSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494624952 1016351846 /nfs/dbraw/zinc/35/18/46/1016351846.db2.gz HMYBHAQACQGCAE-OCCSQVGLSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001494786597 1016425175 /nfs/dbraw/zinc/42/51/75/1016425175.db2.gz IQVYOFJEMLNYBF-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001494786597 1016425184 /nfs/dbraw/zinc/42/51/84/1016425184.db2.gz IQVYOFJEMLNYBF-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001494786597 1016425188 /nfs/dbraw/zinc/42/51/88/1016425188.db2.gz IQVYOFJEMLNYBF-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)C1 ZINC001494786597 1016425194 /nfs/dbraw/zinc/42/51/94/1016425194.db2.gz IQVYOFJEMLNYBF-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001496369332 1016898605 /nfs/dbraw/zinc/89/86/05/1016898605.db2.gz QFVIOLPGZBPFOX-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001449179116 1010343310 /nfs/dbraw/zinc/34/33/10/1010343310.db2.gz BGTWVJVJXMEDSY-CHWSQXEVSA-N 2 1 319.833 -0.132 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001449179116 1010343324 /nfs/dbraw/zinc/34/33/24/1010343324.db2.gz BGTWVJVJXMEDSY-CHWSQXEVSA-N 2 1 319.833 -0.132 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001449179121 1010344316 /nfs/dbraw/zinc/34/43/16/1010344316.db2.gz BGTWVJVJXMEDSY-OLZOCXBDSA-N 2 1 319.833 -0.132 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001449179121 1010344330 /nfs/dbraw/zinc/34/43/30/1010344330.db2.gz BGTWVJVJXMEDSY-OLZOCXBDSA-N 2 1 319.833 -0.132 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001479809239 1010396561 /nfs/dbraw/zinc/39/65/61/1010396561.db2.gz VCMTYKVXTRZEBS-UHFFFAOYSA-N 2 1 308.426 -0.178 20 30 DBEDMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001479815805 1010400318 /nfs/dbraw/zinc/40/03/18/1010400318.db2.gz NGRXQFCHOQYWHT-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479954877 1010476916 /nfs/dbraw/zinc/47/69/16/1010476916.db2.gz FUYMBTCKLOBGLU-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479954877 1010476922 /nfs/dbraw/zinc/47/69/22/1010476922.db2.gz FUYMBTCKLOBGLU-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479954877 1010476929 /nfs/dbraw/zinc/47/69/29/1010476929.db2.gz FUYMBTCKLOBGLU-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479954877 1010476938 /nfs/dbraw/zinc/47/69/38/1010476938.db2.gz FUYMBTCKLOBGLU-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480113356 1010536798 /nfs/dbraw/zinc/53/67/98/1010536798.db2.gz OQETXMIEVXTBOT-LBPRGKRZSA-N 2 1 304.354 -0.978 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480114933 1010539737 /nfs/dbraw/zinc/53/97/37/1010539737.db2.gz VGAOBDQGZJIPBX-HZSPNIEDSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480196270 1010570080 /nfs/dbraw/zinc/57/00/80/1010570080.db2.gz IDNCULMUOOGTBF-IGQOVBAYSA-N 2 1 306.410 -0.545 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001480410905 1010628212 /nfs/dbraw/zinc/62/82/12/1010628212.db2.gz BJGRELZWEQFMNL-IYXRBSQSSA-N 2 1 321.425 -0.405 20 30 DBEDMP C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(=O)NCC#N ZINC001480536715 1010684022 /nfs/dbraw/zinc/68/40/22/1010684022.db2.gz JLUHVVWQAUEXRW-LBPRGKRZSA-N 2 1 311.430 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001480614692 1010718270 /nfs/dbraw/zinc/71/82/70/1010718270.db2.gz HCGUMBNERWSUJE-HZSPNIEDSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480998056 1010825006 /nfs/dbraw/zinc/82/50/06/1010825006.db2.gz QZTPSFCCBKIHQX-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480998056 1010825011 /nfs/dbraw/zinc/82/50/11/1010825011.db2.gz QZTPSFCCBKIHQX-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O ZINC001481241319 1010871321 /nfs/dbraw/zinc/87/13/21/1010871321.db2.gz TWDZYDCZRYJXBW-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@@H]1CCN(CC)C1=O ZINC001481241319 1010871323 /nfs/dbraw/zinc/87/13/23/1010871323.db2.gz TWDZYDCZRYJXBW-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001481278937 1010879886 /nfs/dbraw/zinc/87/98/86/1010879886.db2.gz COBPYPLVTSJVMD-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481278935 1010880778 /nfs/dbraw/zinc/88/07/78/1010880778.db2.gz COBPYPLVTSJVMD-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC001482058961 1011043399 /nfs/dbraw/zinc/04/33/99/1011043399.db2.gz TWLMNCYFRYUEDP-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC001482058961 1011043405 /nfs/dbraw/zinc/04/34/05/1011043405.db2.gz TWLMNCYFRYUEDP-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001482167482 1011070165 /nfs/dbraw/zinc/07/01/65/1011070165.db2.gz FDNHRQFBDLOXFP-OLZOCXBDSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001482221771 1011090850 /nfs/dbraw/zinc/09/08/50/1011090850.db2.gz RQDSEYDPWYINHR-KBPBESRZSA-N 2 1 320.437 -0.024 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)C(N)=O)CCCC1 ZINC001482221771 1011090856 /nfs/dbraw/zinc/09/08/56/1011090856.db2.gz RQDSEYDPWYINHR-KBPBESRZSA-N 2 1 320.437 -0.024 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482299542 1011113066 /nfs/dbraw/zinc/11/30/66/1011113066.db2.gz ZKFUCBOOGZKFTK-KGLIPLIRSA-N 2 1 319.409 -0.840 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001482299542 1011113070 /nfs/dbraw/zinc/11/30/70/1011113070.db2.gz ZKFUCBOOGZKFTK-KGLIPLIRSA-N 2 1 319.409 -0.840 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482310048 1011114288 /nfs/dbraw/zinc/11/42/88/1011114288.db2.gz MSJQWXFETRCJOL-GXTWGEPZSA-N 2 1 319.409 -0.234 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482310050 1011115020 /nfs/dbraw/zinc/11/50/20/1011115020.db2.gz MSJQWXFETRCJOL-OCCSQVGLSA-N 2 1 319.409 -0.234 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482365677 1011130223 /nfs/dbraw/zinc/13/02/23/1011130223.db2.gz XDPQIDKAOZWWEY-QWHCGFSZSA-N 2 1 319.409 -0.234 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482648949 1011252259 /nfs/dbraw/zinc/25/22/59/1011252259.db2.gz CHLJGQDRMZMROQ-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C[NH+]1CCCC1 ZINC001482648949 1011252277 /nfs/dbraw/zinc/25/22/77/1011252277.db2.gz CHLJGQDRMZMROQ-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001482696618 1011270714 /nfs/dbraw/zinc/27/07/14/1011270714.db2.gz CXXNSWPQAXFARX-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001482760949 1011398337 /nfs/dbraw/zinc/39/83/37/1011398337.db2.gz BIARMIMGRPQGAH-HIFRSBDPSA-N 2 1 304.394 -0.156 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001482770856 1011420137 /nfs/dbraw/zinc/42/01/37/1011420137.db2.gz XBXAEYWHVIKVAD-AWEZNQCLSA-N 2 1 313.442 -0.319 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001497231039 1017319592 /nfs/dbraw/zinc/31/95/92/1017319592.db2.gz OXHWNEPJTLHCAF-GFCCVEGCSA-N 2 1 305.382 -0.575 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC001482933699 1011548481 /nfs/dbraw/zinc/54/84/81/1011548481.db2.gz MVBKSLJGSSTAPP-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046923 1011638277 /nfs/dbraw/zinc/63/82/77/1011638277.db2.gz JCWPYIDVAQCODY-KXLSMFKISA-N 2 1 320.437 -0.129 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483096507 1011682841 /nfs/dbraw/zinc/68/28/41/1011682841.db2.gz CDGFXSSLCFMPCZ-WSNITJDQSA-N 2 1 321.425 -0.237 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483096508 1011683722 /nfs/dbraw/zinc/68/37/22/1011683722.db2.gz CDGFXSSLCFMPCZ-ZRUQZJFASA-N 2 1 321.425 -0.237 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001483548630 1011901774 /nfs/dbraw/zinc/90/17/74/1011901774.db2.gz BVPGVIMOIHYJPO-KBPBESRZSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001483605790 1011966433 /nfs/dbraw/zinc/96/64/33/1011966433.db2.gz SHZJUAYXYJQOJN-KBPBESRZSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NC)CC1 ZINC001483989301 1012239638 /nfs/dbraw/zinc/23/96/38/1012239638.db2.gz DYDFUJXMXFBCSQ-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NC)CC1 ZINC001483989301 1012239649 /nfs/dbraw/zinc/23/96/49/1012239649.db2.gz DYDFUJXMXFBCSQ-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484066602 1012300769 /nfs/dbraw/zinc/30/07/69/1012300769.db2.gz ATLNDSVOHLIDKV-RHSMWYFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484066602 1012300782 /nfs/dbraw/zinc/30/07/82/1012300782.db2.gz ATLNDSVOHLIDKV-RHSMWYFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066602 1012300796 /nfs/dbraw/zinc/30/07/96/1012300796.db2.gz ATLNDSVOHLIDKV-RHSMWYFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066602 1012300803 /nfs/dbraw/zinc/30/08/03/1012300803.db2.gz ATLNDSVOHLIDKV-RHSMWYFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484124102 1012318874 /nfs/dbraw/zinc/31/88/74/1012318874.db2.gz FCUOSZVXOPXHSS-WMLDXEAASA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001484191473 1012343302 /nfs/dbraw/zinc/34/33/02/1012343302.db2.gz SBMAXLCYYCPVBV-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001484191473 1012343309 /nfs/dbraw/zinc/34/33/09/1012343309.db2.gz SBMAXLCYYCPVBV-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001484188888 1012345060 /nfs/dbraw/zinc/34/50/60/1012345060.db2.gz FRCBRCCJOLFKSS-UHFFFAOYSA-N 2 1 323.437 -0.013 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484229853 1012424650 /nfs/dbraw/zinc/42/46/50/1012424650.db2.gz JMFJOAFXGNRCIB-MRXNPFEDSA-N 2 1 322.409 -0.053 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484229853 1012424669 /nfs/dbraw/zinc/42/46/69/1012424669.db2.gz JMFJOAFXGNRCIB-MRXNPFEDSA-N 2 1 322.409 -0.053 20 30 DBEDMP C#CC[N@H+]1CCC[C@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484446167 1012660787 /nfs/dbraw/zinc/66/07/87/1012660787.db2.gz OPFVKAZQKXEZQV-KRWDZBQOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484446167 1012660808 /nfs/dbraw/zinc/66/08/08/1012660808.db2.gz OPFVKAZQKXEZQV-KRWDZBQOSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001484492042 1012727922 /nfs/dbraw/zinc/72/79/22/1012727922.db2.gz CWKDLTCUXANIJO-CQSZACIVSA-N 2 1 304.394 -0.202 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628962 1012806131 /nfs/dbraw/zinc/80/61/31/1012806131.db2.gz YRKNIMUBOMBSCX-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628962 1012806133 /nfs/dbraw/zinc/80/61/33/1012806133.db2.gz YRKNIMUBOMBSCX-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736103 1012844527 /nfs/dbraw/zinc/84/45/27/1012844527.db2.gz GTJGIJMWDRWHKH-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484736103 1012844528 /nfs/dbraw/zinc/84/45/28/1012844528.db2.gz GTJGIJMWDRWHKH-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484736103 1012844529 /nfs/dbraw/zinc/84/45/29/1012844529.db2.gz GTJGIJMWDRWHKH-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484850410 1012876910 /nfs/dbraw/zinc/87/69/10/1012876910.db2.gz HJXFSTRLOKWRFQ-MRXNPFEDSA-N 2 1 309.410 -0.715 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001484927946 1012897991 /nfs/dbraw/zinc/89/79/91/1012897991.db2.gz AJKILXIDMMMIQO-UHFFFAOYSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484986930 1012929333 /nfs/dbraw/zinc/92/93/33/1012929333.db2.gz VYXZPJFSLOVQTG-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484986930 1012929347 /nfs/dbraw/zinc/92/93/47/1012929347.db2.gz VYXZPJFSLOVQTG-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586531 1017431663 /nfs/dbraw/zinc/43/16/63/1017431663.db2.gz WMNVZZPMIHMANY-XIKIYNFVSA-N 2 1 320.437 -0.274 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602370 1017440373 /nfs/dbraw/zinc/44/03/73/1017440373.db2.gz XIAKTINHHOXTJJ-KXLSMFKISA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602370 1017440377 /nfs/dbraw/zinc/44/03/77/1017440377.db2.gz XIAKTINHHOXTJJ-KXLSMFKISA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602368 1017441484 /nfs/dbraw/zinc/44/14/84/1017441484.db2.gz XIAKTINHHOXTJJ-BEWKBBBFSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)C(=O)N(C)C ZINC001497602368 1017441487 /nfs/dbraw/zinc/44/14/87/1017441487.db2.gz XIAKTINHHOXTJJ-BEWKBBBFSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001497829780 1017515041 /nfs/dbraw/zinc/51/50/41/1017515041.db2.gz JHHXHLDEAPNJAQ-RDBSUJKOSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCCNC1=O ZINC001497829780 1017515054 /nfs/dbraw/zinc/51/50/54/1017515054.db2.gz JHHXHLDEAPNJAQ-RDBSUJKOSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001497830467 1017518509 /nfs/dbraw/zinc/51/85/09/1017518509.db2.gz WKQQBEWWRSCICD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H]1CCCN(C)C1=O ZINC001497830467 1017518518 /nfs/dbraw/zinc/51/85/18/1017518518.db2.gz WKQQBEWWRSCICD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497891693 1017539832 /nfs/dbraw/zinc/53/98/32/1017539832.db2.gz XJRFSFWCUJPQRO-RDBSUJKOSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001498055885 1017596835 /nfs/dbraw/zinc/59/68/35/1017596835.db2.gz XVDMYWRMYBJCPI-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001499882222 1018200290 /nfs/dbraw/zinc/20/02/90/1018200290.db2.gz IKTBCXMKGVEXER-STQMWFEESA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001500572253 1018353663 /nfs/dbraw/zinc/35/36/63/1018353663.db2.gz KEJZABXKMQGQGF-AWEZNQCLSA-N 2 1 309.410 -0.669 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCO)CCOCC1 ZINC001500572253 1018353670 /nfs/dbraw/zinc/35/36/70/1018353670.db2.gz KEJZABXKMQGQGF-AWEZNQCLSA-N 2 1 309.410 -0.669 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364676 1018650653 /nfs/dbraw/zinc/65/06/53/1018650653.db2.gz PVSDPFZBDAUIKP-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364676 1018650660 /nfs/dbraw/zinc/65/06/60/1018650660.db2.gz PVSDPFZBDAUIKP-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501364676 1018650688 /nfs/dbraw/zinc/65/06/88/1018650688.db2.gz PVSDPFZBDAUIKP-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501364676 1018650700 /nfs/dbraw/zinc/65/07/00/1018650700.db2.gz PVSDPFZBDAUIKP-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001501651219 1018846824 /nfs/dbraw/zinc/84/68/24/1018846824.db2.gz MFIQHRMEFUCTEK-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001501698562 1018853476 /nfs/dbraw/zinc/85/34/76/1018853476.db2.gz NYDUNYMCSSKWNJ-KKUMJFAQSA-N 2 1 320.437 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CC(N)=O)CC1 ZINC001501698562 1018853477 /nfs/dbraw/zinc/85/34/77/1018853477.db2.gz NYDUNYMCSSKWNJ-KKUMJFAQSA-N 2 1 320.437 -0.166 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CCO1 ZINC001502086307 1018982943 /nfs/dbraw/zinc/98/29/43/1018982943.db2.gz BZYBKCZHPURCFB-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456380 1019318067 /nfs/dbraw/zinc/31/80/67/1019318067.db2.gz TVJAGLPOAJDPCZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456380 1019318079 /nfs/dbraw/zinc/31/80/79/1019318079.db2.gz TVJAGLPOAJDPCZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061393 1019699199 /nfs/dbraw/zinc/69/91/99/1019699199.db2.gz UNRMBLOASIHSKJ-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061393 1019699208 /nfs/dbraw/zinc/69/92/08/1019699208.db2.gz UNRMBLOASIHSKJ-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@H+](C)CC#CCOC)C1 ZINC001506061393 1019699217 /nfs/dbraw/zinc/69/92/17/1019699217.db2.gz UNRMBLOASIHSKJ-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC)C1 ZINC001506061393 1019699228 /nfs/dbraw/zinc/69/92/28/1019699228.db2.gz UNRMBLOASIHSKJ-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506065537 1019704767 /nfs/dbraw/zinc/70/47/67/1019704767.db2.gz QRMHMRYXHCOBLD-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506065537 1019704776 /nfs/dbraw/zinc/70/47/76/1019704776.db2.gz QRMHMRYXHCOBLD-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCCO)C1 ZINC001506626855 1019878206 /nfs/dbraw/zinc/87/82/06/1019878206.db2.gz NAECQMOUHOOAPF-HOCLYGCPSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCOCCO)C1 ZINC001506626855 1019878211 /nfs/dbraw/zinc/87/82/11/1019878211.db2.gz NAECQMOUHOOAPF-HOCLYGCPSA-N 2 1 323.437 -0.471 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001507083603 1020083427 /nfs/dbraw/zinc/08/34/27/1020083427.db2.gz UFKQXHWLGDGOTN-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001507331558 1020294431 /nfs/dbraw/zinc/29/44/31/1020294431.db2.gz LZBYGXRHSYJQAN-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001507730673 1020488547 /nfs/dbraw/zinc/48/85/47/1020488547.db2.gz VFSDAUDCXUOPKT-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001507730673 1020488559 /nfs/dbraw/zinc/48/85/59/1020488559.db2.gz VFSDAUDCXUOPKT-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001507730673 1020488572 /nfs/dbraw/zinc/48/85/72/1020488572.db2.gz VFSDAUDCXUOPKT-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001507730673 1020488583 /nfs/dbraw/zinc/48/85/83/1020488583.db2.gz VFSDAUDCXUOPKT-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001580042661 1020636533 /nfs/dbraw/zinc/63/65/33/1020636533.db2.gz YFCGROLUXJYGAX-GARWAMKOSA-N 2 1 304.394 -0.597 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001566483980 1024201583 /nfs/dbraw/zinc/20/15/83/1024201583.db2.gz CZBYZNJKMWMFBS-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)NCCC[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001566483980 1024201600 /nfs/dbraw/zinc/20/16/00/1024201600.db2.gz CZBYZNJKMWMFBS-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)NCCC[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001566483980 1024201612 /nfs/dbraw/zinc/20/16/12/1024201612.db2.gz CZBYZNJKMWMFBS-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)CC(=O)NCC#N)C1 ZINC001566491276 1024213123 /nfs/dbraw/zinc/21/31/23/1024213123.db2.gz SAJGQGKPEDGZGW-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001566491276 1024213150 /nfs/dbraw/zinc/21/31/50/1024213150.db2.gz SAJGQGKPEDGZGW-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001566491276 1024213169 /nfs/dbraw/zinc/21/31/69/1024213169.db2.gz SAJGQGKPEDGZGW-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)[C@@H]1CCC[NH+]1C ZINC001566543977 1024239941 /nfs/dbraw/zinc/23/99/41/1024239941.db2.gz ZBSVKLRDZTYSDU-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001566543977 1024239950 /nfs/dbraw/zinc/23/99/50/1024239950.db2.gz ZBSVKLRDZTYSDU-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001566543977 1024239969 /nfs/dbraw/zinc/23/99/69/1024239969.db2.gz ZBSVKLRDZTYSDU-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCCN2CCN(CC#N)CC2)CC[N@H+]1C ZINC001566649369 1024314264 /nfs/dbraw/zinc/31/42/64/1024314264.db2.gz RDTQHSPUOCIXLV-LSDHHAIUSA-N 2 1 307.442 -0.026 20 30 DBEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001566876737 1024395335 /nfs/dbraw/zinc/39/53/35/1024395335.db2.gz KCDBCMHZYAMJRZ-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001566876737 1024395364 /nfs/dbraw/zinc/39/53/64/1024395364.db2.gz KCDBCMHZYAMJRZ-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001567022675 1024469898 /nfs/dbraw/zinc/46/98/98/1024469898.db2.gz NIBAMUPIBUXZAL-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001567022675 1024469920 /nfs/dbraw/zinc/46/99/20/1024469920.db2.gz NIBAMUPIBUXZAL-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567140606 1024544437 /nfs/dbraw/zinc/54/44/37/1024544437.db2.gz OJXHQGXAGUFORY-GJZGRUSLSA-N 2 1 320.437 -0.484 20 30 DBEDMP CC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NCC#N ZINC001567346825 1024639984 /nfs/dbraw/zinc/63/99/84/1024639984.db2.gz FYGVPFAJRSHTJL-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[N@@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC(=O)NCC#N ZINC001567346825 1024639996 /nfs/dbraw/zinc/63/99/96/1024639996.db2.gz FYGVPFAJRSHTJL-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001567736199 1024815485 /nfs/dbraw/zinc/81/54/85/1024815485.db2.gz JSMDVSVARDUVGG-ZDUSSCGKSA-N 2 1 309.414 -0.642 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001567915015 1024845047 /nfs/dbraw/zinc/84/50/47/1024845047.db2.gz JGABCYOXWSNGCK-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001567915015 1024845048 /nfs/dbraw/zinc/84/50/48/1024845048.db2.gz JGABCYOXWSNGCK-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567915015 1024845049 /nfs/dbraw/zinc/84/50/49/1024845049.db2.gz JGABCYOXWSNGCK-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567915015 1024845050 /nfs/dbraw/zinc/84/50/50/1024845050.db2.gz JGABCYOXWSNGCK-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C[NH2+]CC(=O)NCC#N ZINC001568172191 1024869540 /nfs/dbraw/zinc/86/95/40/1024869540.db2.gz PETVXKXSEUWRQD-YNEHKIRRSA-N 2 1 309.414 -0.692 20 30 DBEDMP COCC#CC[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001568198790 1024873710 /nfs/dbraw/zinc/87/37/10/1024873710.db2.gz XKEZOYBRHZDQLW-HNNXBMFYSA-N 2 1 311.426 -0.300 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001568371124 1024896815 /nfs/dbraw/zinc/89/68/15/1024896815.db2.gz YWZIFOKSNMXKIS-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001568970472 1025104604 /nfs/dbraw/zinc/10/46/04/1025104604.db2.gz XXAMEIUZNHCAGT-XHPSBEMXSA-N 2 1 320.437 -0.128 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568997368 1025111936 /nfs/dbraw/zinc/11/19/36/1025111936.db2.gz ARZZFFOWPGGMBF-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568997368 1025111945 /nfs/dbraw/zinc/11/19/45/1025111945.db2.gz ARZZFFOWPGGMBF-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)CC(=O)NC)CC1 ZINC001569152927 1025158103 /nfs/dbraw/zinc/15/81/03/1025158103.db2.gz LXLJXGVTYIKJNA-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC(=O)NC)CC1 ZINC001569152927 1025158113 /nfs/dbraw/zinc/15/81/13/1025158113.db2.gz LXLJXGVTYIKJNA-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001569654950 1025304125 /nfs/dbraw/zinc/30/41/25/1025304125.db2.gz NYTDZWLZCMRCSR-INIZCTEOSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001569654950 1025304133 /nfs/dbraw/zinc/30/41/33/1025304133.db2.gz NYTDZWLZCMRCSR-INIZCTEOSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654950 1025304146 /nfs/dbraw/zinc/30/41/46/1025304146.db2.gz NYTDZWLZCMRCSR-INIZCTEOSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654950 1025304158 /nfs/dbraw/zinc/30/41/58/1025304158.db2.gz NYTDZWLZCMRCSR-INIZCTEOSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001569764902 1025347791 /nfs/dbraw/zinc/34/77/91/1025347791.db2.gz FXPJPPCCNHDMIO-ZBFHGGJFSA-N 2 1 309.410 -0.859 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569764490 1025348248 /nfs/dbraw/zinc/34/82/48/1025348248.db2.gz BTLRHLRCKGYRKF-MRXNPFEDSA-N 2 1 322.409 -0.053 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001569764490 1025348264 /nfs/dbraw/zinc/34/82/64/1025348264.db2.gz BTLRHLRCKGYRKF-MRXNPFEDSA-N 2 1 322.409 -0.053 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001569984842 1025447902 /nfs/dbraw/zinc/44/79/02/1025447902.db2.gz YWIFKANEVZRLNT-KBPBESRZSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC(N)=O)C1 ZINC001569984842 1025447912 /nfs/dbraw/zinc/44/79/12/1025447912.db2.gz YWIFKANEVZRLNT-KBPBESRZSA-N 2 1 306.410 -0.603 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163532 1025507129 /nfs/dbraw/zinc/50/71/29/1025507129.db2.gz LBXUZVPLPGEUQO-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163532 1025507144 /nfs/dbraw/zinc/50/71/44/1025507144.db2.gz LBXUZVPLPGEUQO-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163530 1025510569 /nfs/dbraw/zinc/51/05/69/1025510569.db2.gz LBXUZVPLPGEUQO-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163530 1025510587 /nfs/dbraw/zinc/51/05/87/1025510587.db2.gz LBXUZVPLPGEUQO-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001570374567 1025594138 /nfs/dbraw/zinc/59/41/38/1025594138.db2.gz SUKUBQULOZFSKK-ZDUSSCGKSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CC(N)=O)CC1 ZINC001570374567 1025594145 /nfs/dbraw/zinc/59/41/45/1025594145.db2.gz SUKUBQULOZFSKK-ZDUSSCGKSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001570785773 1025758809 /nfs/dbraw/zinc/75/88/09/1025758809.db2.gz QNOAWZBHCSURCM-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001570785773 1025758837 /nfs/dbraw/zinc/75/88/37/1025758837.db2.gz QNOAWZBHCSURCM-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570909373 1025794267 /nfs/dbraw/zinc/79/42/67/1025794267.db2.gz INGNOLBFVMCZRZ-UONOGXRCSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570909373 1025794286 /nfs/dbraw/zinc/79/42/86/1025794286.db2.gz INGNOLBFVMCZRZ-UONOGXRCSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909373 1025794312 /nfs/dbraw/zinc/79/43/12/1025794312.db2.gz INGNOLBFVMCZRZ-UONOGXRCSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909373 1025794334 /nfs/dbraw/zinc/79/43/34/1025794334.db2.gz INGNOLBFVMCZRZ-UONOGXRCSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001571602650 1026120088 /nfs/dbraw/zinc/12/00/88/1026120088.db2.gz KGPIVMYFCCYPAW-CVEARBPZSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[NH+]1CC#C ZINC001571602650 1026120093 /nfs/dbraw/zinc/12/00/93/1026120093.db2.gz KGPIVMYFCCYPAW-CVEARBPZSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001571602650 1026120099 /nfs/dbraw/zinc/12/00/99/1026120099.db2.gz KGPIVMYFCCYPAW-CVEARBPZSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001571602650 1026120112 /nfs/dbraw/zinc/12/01/12/1026120112.db2.gz KGPIVMYFCCYPAW-CVEARBPZSA-N 2 1 305.422 -0.142 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCCO)C1 ZINC001571657932 1026138242 /nfs/dbraw/zinc/13/82/42/1026138242.db2.gz BRTLATHNIBEHHD-GPANFISMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCOCCO)C1 ZINC001571657932 1026138260 /nfs/dbraw/zinc/13/82/60/1026138260.db2.gz BRTLATHNIBEHHD-GPANFISMSA-N 2 1 323.437 -0.328 20 30 DBEDMP CN(C)c1ncc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)n1C ZINC000267453742 529806032 /nfs/dbraw/zinc/80/60/32/529806032.db2.gz SEUGGAWIZQLBBR-UHFFFAOYSA-N 2 1 323.445 -0.387 20 30 DBEDMP CCN(CC#CC[N@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000284795733 335016883 /nfs/dbraw/zinc/01/68/83/335016883.db2.gz OFMCGWCXOIEPLM-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCN(CC#CC[N@@H+](CC)[C@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000284795733 335016884 /nfs/dbraw/zinc/01/68/84/335016884.db2.gz OFMCGWCXOIEPLM-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP CNC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)NC)C2)C1 ZINC000625480049 374657805 /nfs/dbraw/zinc/65/78/05/374657805.db2.gz UKVMKRJHFYRCHW-OKILXGFUSA-N 2 1 306.410 -0.874 20 30 DBEDMP CNC(=O)[C@@H]1CC[N@@H+](CC#CC[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC000625480049 374657813 /nfs/dbraw/zinc/65/78/13/374657813.db2.gz UKVMKRJHFYRCHW-OKILXGFUSA-N 2 1 306.410 -0.874 20 30 DBEDMP CNC(=O)[C@@H]1CC[N@H+](CC#CC[NH+]2CC[C@H](C(=O)NC)C2)C1 ZINC000625480049 374657817 /nfs/dbraw/zinc/65/78/17/374657817.db2.gz UKVMKRJHFYRCHW-OKILXGFUSA-N 2 1 306.410 -0.874 20 30 DBEDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCC(=O)NCC#N ZINC000596599918 376088775 /nfs/dbraw/zinc/08/87/75/376088775.db2.gz WZBDBHAQAAAWPU-LBPRGKRZSA-N 2 1 312.418 -0.803 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C1=O ZINC000282572421 378326179 /nfs/dbraw/zinc/32/61/79/378326179.db2.gz VGYCWZVQBQXFNP-CQSZACIVSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000282572421 378326184 /nfs/dbraw/zinc/32/61/84/378326184.db2.gz VGYCWZVQBQXFNP-CQSZACIVSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000491388053 393812904 /nfs/dbraw/zinc/81/29/04/393812904.db2.gz ZWELOJODJLEFPI-AWEZNQCLSA-N 2 1 323.441 -0.562 20 30 DBEDMP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000491651244 393822145 /nfs/dbraw/zinc/82/21/45/393822145.db2.gz FQDPICQSFWEFMN-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000491651244 393822146 /nfs/dbraw/zinc/82/21/46/393822146.db2.gz FQDPICQSFWEFMN-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CCO[C@@H]2C)CC1 ZINC000491758669 393828776 /nfs/dbraw/zinc/82/87/76/393828776.db2.gz IYCJIDINVJSMBH-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCO[C@@H]2C)CC1 ZINC000491758669 393828777 /nfs/dbraw/zinc/82/87/77/393828777.db2.gz IYCJIDINVJSMBH-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662260268 412175375 /nfs/dbraw/zinc/17/53/75/412175375.db2.gz JVQRSHRKAVHGLG-CQSZACIVSA-N 2 1 308.426 -0.573 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000672355868 544771662 /nfs/dbraw/zinc/77/16/62/544771662.db2.gz GFZJHZVKJZEOLJ-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000293914845 335115933 /nfs/dbraw/zinc/11/59/33/335115933.db2.gz GJEPPANXQNWHPN-CQSZACIVSA-N 2 1 308.426 -0.532 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)NCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000296782701 335148438 /nfs/dbraw/zinc/14/84/38/335148438.db2.gz XOUPWHLBBYPYJA-AWEZNQCLSA-N 2 1 323.441 -0.420 20 30 DBEDMP C[NH+]=C(NCC(=O)NC1CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261828460 526347277 /nfs/dbraw/zinc/34/72/77/526347277.db2.gz VDBMDLCSJVEYCB-CYBMUJFWSA-N 2 1 323.441 -0.506 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001022221514 664239823 /nfs/dbraw/zinc/23/98/23/664239823.db2.gz HUESTCKVDLCTEU-RQJABVFESA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001022221514 664239826 /nfs/dbraw/zinc/23/98/26/664239826.db2.gz HUESTCKVDLCTEU-RQJABVFESA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCO)CCO2 ZINC000972417380 664396111 /nfs/dbraw/zinc/39/61/11/664396111.db2.gz UKRUFUNJQQOUND-RDJZCZTQSA-N 2 1 321.421 -0.620 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CN(CCO)CCO2 ZINC000972417380 664396113 /nfs/dbraw/zinc/39/61/13/664396113.db2.gz UKRUFUNJQQOUND-RDJZCZTQSA-N 2 1 321.421 -0.620 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086246 664440469 /nfs/dbraw/zinc/44/04/69/664440469.db2.gz GBVFEGKPUNYNPV-APIJFGDWSA-N 2 1 320.437 -0.038 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+](CC(N)=O)C2)CC1 ZINC001023761739 664856139 /nfs/dbraw/zinc/85/61/39/664856139.db2.gz ICCKVMBIRXFNSU-AWEZNQCLSA-N 2 1 320.437 -0.355 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+](CC(N)=O)C2)CC1 ZINC001023761739 664856140 /nfs/dbraw/zinc/85/61/40/664856140.db2.gz ICCKVMBIRXFNSU-AWEZNQCLSA-N 2 1 320.437 -0.355 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798651 665087808 /nfs/dbraw/zinc/08/78/08/665087808.db2.gz CIOJZSUTOUMMRO-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798651 665087810 /nfs/dbraw/zinc/08/78/10/665087810.db2.gz CIOJZSUTOUMMRO-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798651 665087812 /nfs/dbraw/zinc/08/78/12/665087812.db2.gz CIOJZSUTOUMMRO-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC001025798854 665088409 /nfs/dbraw/zinc/08/84/09/665088409.db2.gz LJWSKMZEIHHHIL-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001025798854 665088413 /nfs/dbraw/zinc/08/84/13/665088413.db2.gz LJWSKMZEIHHHIL-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001025798854 665088416 /nfs/dbraw/zinc/08/84/16/665088416.db2.gz LJWSKMZEIHHHIL-LJIZCISZSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)NC(C)C ZINC000170913073 674908304 /nfs/dbraw/zinc/90/83/04/674908304.db2.gz HPRPUWJHKWNRMO-GFCCVEGCSA-N 2 1 319.475 -0.297 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCC[C@H](CC(N)=O)C1 ZINC000261832838 670922421 /nfs/dbraw/zinc/92/24/21/670922421.db2.gz VQZDNKYCEIBFSS-ZIAGYGMSSA-N 2 1 324.473 -0.605 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698611 670967523 /nfs/dbraw/zinc/96/75/23/670967523.db2.gz OABKHMLPVIKUKS-GJEMEMOUSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698611 670967531 /nfs/dbraw/zinc/96/75/31/670967531.db2.gz OABKHMLPVIKUKS-GJEMEMOUSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698611 670967537 /nfs/dbraw/zinc/96/75/37/670967537.db2.gz OABKHMLPVIKUKS-GJEMEMOUSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](CC(=O)NC)C2)CC1 ZINC001029001881 671151210 /nfs/dbraw/zinc/15/12/10/671151210.db2.gz FEPBSAQGQNYPTO-CQSZACIVSA-N 2 1 320.437 -0.484 20 30 DBEDMP C=CCN(CC=C)C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261968108 671154272 /nfs/dbraw/zinc/15/42/72/671154272.db2.gz PPQKDQQQOOHLOK-CQSZACIVSA-N 2 1 308.426 -0.026 20 30 DBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)Nc1cccnc1 ZINC000303987465 671492442 /nfs/dbraw/zinc/49/24/42/671492442.db2.gz VLQAAWSJXIPFKY-UHFFFAOYSA-N 2 1 320.397 -0.353 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985474831 671493171 /nfs/dbraw/zinc/49/31/71/671493171.db2.gz GQAINSWDBHAMCG-HIFRSBDPSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)[C@H](C)C(N)=O)CC1 ZINC000985474831 671493173 /nfs/dbraw/zinc/49/31/73/671493173.db2.gz GQAINSWDBHAMCG-HIFRSBDPSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](C)C(N)=O)CC1 ZINC000985474831 671493175 /nfs/dbraw/zinc/49/31/75/671493175.db2.gz GQAINSWDBHAMCG-HIFRSBDPSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)[C@H](C)C(N)=O)CC1 ZINC000985474831 671493177 /nfs/dbraw/zinc/49/31/77/671493177.db2.gz GQAINSWDBHAMCG-HIFRSBDPSA-N 2 1 320.437 -0.119 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001030019203 671855111 /nfs/dbraw/zinc/85/51/11/671855111.db2.gz OBYFFZGGRRSUKY-ZNMIVQPWSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995926456 678210284 /nfs/dbraw/zinc/21/02/84/678210284.db2.gz VQAMWXVZZHTMBI-QWHCGFSZSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995926456 678210287 /nfs/dbraw/zinc/21/02/87/678210287.db2.gz VQAMWXVZZHTMBI-QWHCGFSZSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999963488 678780333 /nfs/dbraw/zinc/78/03/33/678780333.db2.gz QZKMDHVBKMOOBT-CABCVRRESA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999963488 678780335 /nfs/dbraw/zinc/78/03/35/678780335.db2.gz QZKMDHVBKMOOBT-CABCVRRESA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999963488 678780338 /nfs/dbraw/zinc/78/03/38/678780338.db2.gz QZKMDHVBKMOOBT-CABCVRRESA-N 2 1 316.409 -0.132 20 30 DBEDMP CN(C)C(=O)CC[NH+]1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852870083 805984323 /nfs/dbraw/zinc/98/43/23/805984323.db2.gz POGUTSJNBWWXOJ-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984471 806061187 /nfs/dbraw/zinc/06/11/87/806061187.db2.gz ASHZKVFWKVGPBR-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984471 806061194 /nfs/dbraw/zinc/06/11/94/806061194.db2.gz ASHZKVFWKVGPBR-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOCCO)C2)CC1 ZINC001316993484 806065060 /nfs/dbraw/zinc/06/50/60/806065060.db2.gz BWWTZFWTMHRNEZ-INIZCTEOSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317293142 806125055 /nfs/dbraw/zinc/12/50/55/806125055.db2.gz YSDWHMASBFCDAX-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001317383877 806142233 /nfs/dbraw/zinc/14/22/33/806142233.db2.gz QHYQSGIEOBYDCQ-KBPBESRZSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001317383877 806142241 /nfs/dbraw/zinc/14/22/41/806142241.db2.gz QHYQSGIEOBYDCQ-KBPBESRZSA-N 2 1 323.441 -0.111 20 30 DBEDMP C[C@@H](CCNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001317411246 806146175 /nfs/dbraw/zinc/14/61/75/806146175.db2.gz DCUJIDLBMKHIKF-QWHCGFSZSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511931 806172994 /nfs/dbraw/zinc/17/29/94/806172994.db2.gz FCKGDPHCIGNPPA-GDBMZVCRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511931 806173003 /nfs/dbraw/zinc/17/30/03/806173003.db2.gz FCKGDPHCIGNPPA-GDBMZVCRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317534574 806180537 /nfs/dbraw/zinc/18/05/37/806180537.db2.gz FCTMCSIVVYTMLG-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317662101 806221122 /nfs/dbraw/zinc/22/11/22/806221122.db2.gz UNZJGRXWQKRXJU-LBPRGKRZSA-N 2 1 307.398 -0.070 20 30 DBEDMP COCC#CCN1CC[NH+](CCN(C)C(=O)CC[NH+](C)C)CC1 ZINC001317819676 806235261 /nfs/dbraw/zinc/23/52/61/806235261.db2.gz DRHDKGWWKJLSIX-UHFFFAOYSA-N 2 1 324.469 -0.336 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001317862816 806240142 /nfs/dbraw/zinc/24/01/42/806240142.db2.gz XYVLPHRLTJRCOH-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001317862816 806240145 /nfs/dbraw/zinc/24/01/45/806240145.db2.gz XYVLPHRLTJRCOH-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001317862816 806240147 /nfs/dbraw/zinc/24/01/47/806240147.db2.gz XYVLPHRLTJRCOH-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549367 806362612 /nfs/dbraw/zinc/36/26/12/806362612.db2.gz BLSBZSJQBHOVDS-OLZOCXBDSA-N 2 1 308.382 -0.454 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710109 806450405 /nfs/dbraw/zinc/45/04/05/806450405.db2.gz VSZDUPKVTFVWGJ-LOWDOPEQSA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710109 806450409 /nfs/dbraw/zinc/45/04/09/806450409.db2.gz VSZDUPKVTFVWGJ-LOWDOPEQSA-N 2 1 308.382 -0.456 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001320235871 806459273 /nfs/dbraw/zinc/45/92/73/806459273.db2.gz SENUDHOFKJNHGP-CVEARBPZSA-N 2 1 316.405 -0.254 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cccnc1 ZINC001320235871 806459279 /nfs/dbraw/zinc/45/92/79/806459279.db2.gz SENUDHOFKJNHGP-CVEARBPZSA-N 2 1 316.405 -0.254 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001320755200 806524957 /nfs/dbraw/zinc/52/49/57/806524957.db2.gz CZROSPMUPHCSHP-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H]1CCNC1=O ZINC001320755200 806524958 /nfs/dbraw/zinc/52/49/58/806524958.db2.gz CZROSPMUPHCSHP-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001321249087 806595263 /nfs/dbraw/zinc/59/52/63/806595263.db2.gz HYSOVNCGVOSQKE-ISZGNANSSA-N 2 1 306.410 -0.660 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112046 806825014 /nfs/dbraw/zinc/82/50/14/806825014.db2.gz GBTWUFRCYXBFIS-JKSUJKDBSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112046 806825018 /nfs/dbraw/zinc/82/50/18/806825018.db2.gz GBTWUFRCYXBFIS-JKSUJKDBSA-N 2 1 323.437 -0.159 20 30 DBEDMP C[NH+](C)CCNC(=O)C1CC[NH+](CC(=O)NCCC#N)CC1 ZINC001323538726 806886062 /nfs/dbraw/zinc/88/60/62/806886062.db2.gz AHBKCKNSIIVAGL-UHFFFAOYSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278293 806958868 /nfs/dbraw/zinc/95/88/68/806958868.db2.gz UFDQLYCMQUTMRE-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC001324413205 806972224 /nfs/dbraw/zinc/97/22/24/806972224.db2.gz JLNHFVCMJYVLLD-UHFFFAOYSA-N 2 1 308.426 -0.260 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278786317 803825935 /nfs/dbraw/zinc/82/59/35/803825935.db2.gz AODCODNMWXXFCI-INIZCTEOSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNS(=O)(=O)CC ZINC000303971849 803836195 /nfs/dbraw/zinc/83/61/95/803836195.db2.gz FETVHNNYRLYBHS-LBPRGKRZSA-N 2 1 319.475 -0.296 20 30 DBEDMP CC[C@@H](C(=O)NC[C@]1(O)CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001278815705 803836555 /nfs/dbraw/zinc/83/65/55/803836555.db2.gz HNEGUDYQICCXGI-GOEBONIOSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001278833810 803841133 /nfs/dbraw/zinc/84/11/33/803841133.db2.gz WPAOYXHHAYOFNN-CQSZACIVSA-N 2 1 308.382 -0.750 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001279029168 803869768 /nfs/dbraw/zinc/86/97/68/803869768.db2.gz AVROCSYRDTYQRZ-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001279179834 803873591 /nfs/dbraw/zinc/87/35/91/803873591.db2.gz AMASNEPMSXAXDL-CABCVRRESA-N 2 1 322.453 -0.238 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001279577010 803900441 /nfs/dbraw/zinc/90/04/41/803900441.db2.gz RAJUPYWXOWLAEH-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@H+]2CC(=O)NCC#N ZINC001279577010 803900445 /nfs/dbraw/zinc/90/04/45/803900445.db2.gz RAJUPYWXOWLAEH-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280296376 803944835 /nfs/dbraw/zinc/94/48/35/803944835.db2.gz NHHMJEFGLAEUQM-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001282083974 804253731 /nfs/dbraw/zinc/25/37/31/804253731.db2.gz LFTTVSFXFVNKPE-NFOMZHRRSA-N 2 1 322.453 -0.051 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246094 804666561 /nfs/dbraw/zinc/66/65/61/804666561.db2.gz NACDORQXGAOSAV-KGLIPLIRSA-N 2 1 323.441 -0.159 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284431921 804704541 /nfs/dbraw/zinc/70/45/41/804704541.db2.gz JTZGRXPXSYCRQS-CQSZACIVSA-N 2 1 308.382 -0.750 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@@H]1C[N@H+]3CCN1CCC3)C2 ZINC000884413546 807049532 /nfs/dbraw/zinc/04/95/32/807049532.db2.gz WGIQQFVBEJGCRX-GYMHETDLSA-N 2 1 317.437 -0.368 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001292916776 805357785 /nfs/dbraw/zinc/35/77/85/805357785.db2.gz RVBCTISSWUBYOQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001292916776 805357794 /nfs/dbraw/zinc/35/77/94/805357794.db2.gz RVBCTISSWUBYOQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCC[C@H]1C ZINC001292916776 805357805 /nfs/dbraw/zinc/35/78/05/805357805.db2.gz RVBCTISSWUBYOQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCC[C@H]1C ZINC001292916776 805357816 /nfs/dbraw/zinc/35/78/16/805357816.db2.gz RVBCTISSWUBYOQ-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP COCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC1 ZINC000884182901 807039262 /nfs/dbraw/zinc/03/92/62/807039262.db2.gz XIFAZGKNRZNOSC-NPCAHTBFSA-N 2 1 306.410 -0.084 20 30 DBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001325161423 807043471 /nfs/dbraw/zinc/04/34/71/807043471.db2.gz OCHLSBNYLKPWPH-ZBFHGGJFSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325761264 807100938 /nfs/dbraw/zinc/10/09/38/807100938.db2.gz IJXRBSNMTUWNAZ-KFWWJZLASA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364127 807216423 /nfs/dbraw/zinc/21/64/23/807216423.db2.gz WTNKNBCOKZBNCB-SOUVJXGZSA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[NH+]1CCC[C@H](NC(=O)N2CC[N@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364127 807216427 /nfs/dbraw/zinc/21/64/27/807216427.db2.gz WTNKNBCOKZBNCB-SOUVJXGZSA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364127 807216431 /nfs/dbraw/zinc/21/64/31/807216431.db2.gz WTNKNBCOKZBNCB-SOUVJXGZSA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)C1 ZINC000890364127 807216434 /nfs/dbraw/zinc/21/64/34/807216434.db2.gz WTNKNBCOKZBNCB-SOUVJXGZSA-N 2 1 306.410 -0.456 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001327284585 807254805 /nfs/dbraw/zinc/25/48/05/807254805.db2.gz IYFWVZABNGKPEX-UHFFFAOYSA-N 2 1 319.409 -0.210 20 30 DBEDMP C#CCNC(=O)CN(C)CCCN(C)C(=O)Cc1[nH]cnc1C ZINC001327284585 807254810 /nfs/dbraw/zinc/25/48/10/807254810.db2.gz IYFWVZABNGKPEX-UHFFFAOYSA-N 2 1 319.409 -0.210 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330070978 807669250 /nfs/dbraw/zinc/66/92/50/807669250.db2.gz MONHHGBAJNVTRP-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330070978 807669253 /nfs/dbraw/zinc/66/92/53/807669253.db2.gz MONHHGBAJNVTRP-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575574 807681450 /nfs/dbraw/zinc/68/14/50/807681450.db2.gz JAMOZPZPMDEVLM-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575574 807681452 /nfs/dbraw/zinc/68/14/52/807681452.db2.gz JAMOZPZPMDEVLM-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCN1CCN(C(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)CC1 ZINC000931435129 807921616 /nfs/dbraw/zinc/92/16/16/807921616.db2.gz HHLYXTZLGXEWNF-CVEARBPZSA-N 2 1 304.438 -0.353 20 30 DBEDMP C#CCN1CCN(C(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)CC1 ZINC000931435129 807921621 /nfs/dbraw/zinc/92/16/21/807921621.db2.gz HHLYXTZLGXEWNF-CVEARBPZSA-N 2 1 304.438 -0.353 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC000931435129 807921626 /nfs/dbraw/zinc/92/16/26/807921626.db2.gz HHLYXTZLGXEWNF-CVEARBPZSA-N 2 1 304.438 -0.353 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)CC1 ZINC000931435129 807921632 /nfs/dbraw/zinc/92/16/32/807921632.db2.gz HHLYXTZLGXEWNF-CVEARBPZSA-N 2 1 304.438 -0.353 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001332520371 807931727 /nfs/dbraw/zinc/93/17/27/807931727.db2.gz BPQBMAGXQARPLD-CVEARBPZSA-N 2 1 321.421 -0.857 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]CC#CCOC ZINC001332520371 807931730 /nfs/dbraw/zinc/93/17/30/807931730.db2.gz BPQBMAGXQARPLD-CVEARBPZSA-N 2 1 321.421 -0.857 20 30 DBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001335369262 808282285 /nfs/dbraw/zinc/28/22/85/808282285.db2.gz UCWXXQWTVWUNSA-INIZCTEOSA-N 2 1 311.474 -0.190 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076362 809760347 /nfs/dbraw/zinc/76/03/47/809760347.db2.gz DVJSNQSIWVQUCV-HIFRSBDPSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171499 809793337 /nfs/dbraw/zinc/79/33/37/809793337.db2.gz JREDDMNQPMTYJL-CABCVRRESA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958468063 809922073 /nfs/dbraw/zinc/92/20/73/809922073.db2.gz RCODHJRXCYHGQN-UKRRQHHQSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC000958598594 809974318 /nfs/dbraw/zinc/97/43/18/809974318.db2.gz KLGMRZDNSZCIQH-IUODEOHRSA-N 2 1 302.378 -0.197 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC000958724874 810013553 /nfs/dbraw/zinc/01/35/53/810013553.db2.gz USICKYGSEDQUAZ-JKSUJKDBSA-N 2 1 323.437 -0.877 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961286856 810259848 /nfs/dbraw/zinc/25/98/48/810259848.db2.gz ZKOGGKGVDHISCO-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961286856 810259851 /nfs/dbraw/zinc/25/98/51/810259851.db2.gz ZKOGGKGVDHISCO-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961286856 810259855 /nfs/dbraw/zinc/25/98/55/810259855.db2.gz ZKOGGKGVDHISCO-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000968954769 811519870 /nfs/dbraw/zinc/51/98/70/811519870.db2.gz QEABYCGYEKVEIF-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC000968954769 811519877 /nfs/dbraw/zinc/51/98/77/811519877.db2.gz QEABYCGYEKVEIF-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034663733 814712049 /nfs/dbraw/zinc/71/20/49/814712049.db2.gz KDQADYLBRZEURS-IHRRRGAJSA-N 2 1 306.410 -0.414 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034663733 814712053 /nfs/dbraw/zinc/71/20/53/814712053.db2.gz KDQADYLBRZEURS-IHRRRGAJSA-N 2 1 306.410 -0.414 20 30 DBEDMP CC#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047384360 817101291 /nfs/dbraw/zinc/10/12/91/817101291.db2.gz YFXRUHYVNCNCFR-PMPSAXMXSA-N 2 1 305.422 -0.145 20 30 DBEDMP CC#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047384360 817101295 /nfs/dbraw/zinc/10/12/95/817101295.db2.gz YFXRUHYVNCNCFR-PMPSAXMXSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCOC)C[C@@H]2O)CC1 ZINC001047638212 817247601 /nfs/dbraw/zinc/24/76/01/817247601.db2.gz HGPIEOZHCPUEQT-HOTGVXAUSA-N 2 1 323.437 -0.519 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833363 817455621 /nfs/dbraw/zinc/45/56/21/817455621.db2.gz NYIJJAHPIONJTJ-QKPAOTATSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833363 817455626 /nfs/dbraw/zinc/45/56/26/817455626.db2.gz NYIJJAHPIONJTJ-QKPAOTATSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833363 817455630 /nfs/dbraw/zinc/45/56/30/817455630.db2.gz NYIJJAHPIONJTJ-QKPAOTATSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070197044 820422854 /nfs/dbraw/zinc/42/28/54/820422854.db2.gz QEOUQVITWGOEJT-TUVASFSCSA-N 2 1 316.409 -0.407 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CCO)C3)CC1 ZINC001073457232 821133649 /nfs/dbraw/zinc/13/36/49/821133649.db2.gz HGZOFXAEGIEVDB-UHFFFAOYSA-N 2 1 305.422 -0.142 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128719 822000274 /nfs/dbraw/zinc/00/02/74/822000274.db2.gz BUJHBDVIHAZZOM-OWCLPIDISA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077128719 822000280 /nfs/dbraw/zinc/00/02/80/822000280.db2.gz BUJHBDVIHAZZOM-OWCLPIDISA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077128719 822000289 /nfs/dbraw/zinc/00/02/89/822000289.db2.gz BUJHBDVIHAZZOM-OWCLPIDISA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077128719 822000295 /nfs/dbraw/zinc/00/02/95/822000295.db2.gz BUJHBDVIHAZZOM-OWCLPIDISA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418334 822106329 /nfs/dbraw/zinc/10/63/29/822106329.db2.gz NZWXTZNYPKMZGR-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418334 822106335 /nfs/dbraw/zinc/10/63/35/822106335.db2.gz NZWXTZNYPKMZGR-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418334 822106340 /nfs/dbraw/zinc/10/63/40/822106340.db2.gz NZWXTZNYPKMZGR-QJNCVLDKSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817319 822232243 /nfs/dbraw/zinc/23/22/43/822232243.db2.gz ZHTATTIIFCUZIL-ZIAGYGMSSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077817319 822232249 /nfs/dbraw/zinc/23/22/49/822232249.db2.gz ZHTATTIIFCUZIL-ZIAGYGMSSA-N 2 1 307.398 -0.594 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC001080997830 824120613 /nfs/dbraw/zinc/12/06/13/824120613.db2.gz LKJHNTGLCIWRBS-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2C)CC1 ZINC001080997830 824120618 /nfs/dbraw/zinc/12/06/18/824120618.db2.gz LKJHNTGLCIWRBS-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCO)C[C@H]2OC)CC1 ZINC001082383019 824434106 /nfs/dbraw/zinc/43/41/06/824434106.db2.gz FIJUSBWJTASTGB-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653706 824455086 /nfs/dbraw/zinc/45/50/86/824455086.db2.gz ZINJGYMAVQSOEH-QVCPJDEESA-N 2 1 303.406 -0.081 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001114298319 828672574 /nfs/dbraw/zinc/67/25/74/828672574.db2.gz IDNPDSRKFPFDCW-FAHYXWLWSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001114298319 828672580 /nfs/dbraw/zinc/67/25/80/828672580.db2.gz IDNPDSRKFPFDCW-FAHYXWLWSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298319 828672584 /nfs/dbraw/zinc/67/25/84/828672584.db2.gz IDNPDSRKFPFDCW-FAHYXWLWSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001114298319 828672587 /nfs/dbraw/zinc/67/25/87/828672587.db2.gz IDNPDSRKFPFDCW-FAHYXWLWSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519609 824658464 /nfs/dbraw/zinc/65/84/64/824658464.db2.gz BUJHBDVIHAZZOM-OAGGEKHMSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519609 824658465 /nfs/dbraw/zinc/65/84/65/824658465.db2.gz BUJHBDVIHAZZOM-OAGGEKHMSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519609 824658468 /nfs/dbraw/zinc/65/84/68/824658468.db2.gz BUJHBDVIHAZZOM-OAGGEKHMSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083519609 824658471 /nfs/dbraw/zinc/65/84/71/824658471.db2.gz BUJHBDVIHAZZOM-OAGGEKHMSA-N 2 1 323.437 -0.023 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654430 824712549 /nfs/dbraw/zinc/71/25/49/824712549.db2.gz NVJHWTJNWQIFCN-MXIHSMQYSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654430 824712556 /nfs/dbraw/zinc/71/25/56/824712556.db2.gz NVJHWTJNWQIFCN-MXIHSMQYSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654430 824712559 /nfs/dbraw/zinc/71/25/59/824712559.db2.gz NVJHWTJNWQIFCN-MXIHSMQYSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654430 824712563 /nfs/dbraw/zinc/71/25/63/824712563.db2.gz NVJHWTJNWQIFCN-MXIHSMQYSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)CC[NH+](C)C)C1=O ZINC001114778121 828741680 /nfs/dbraw/zinc/74/16/80/828741680.db2.gz FPPOAVYKZBBXLN-KNCOVGOOSA-N 2 1 320.437 -0.229 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114780180 828742237 /nfs/dbraw/zinc/74/22/37/828742237.db2.gz GGJGRDRENIBWJH-CXTNEJHOSA-N 2 1 308.426 -0.325 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114780402 828742446 /nfs/dbraw/zinc/74/24/46/828742446.db2.gz IHWJECZCRXVBMP-RMRHIDDWSA-N 2 1 306.410 -0.878 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992403 828771962 /nfs/dbraw/zinc/77/19/62/828771962.db2.gz URXYGZXPDAEHSE-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114992403 828771965 /nfs/dbraw/zinc/77/19/65/828771965.db2.gz URXYGZXPDAEHSE-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636042 825770945 /nfs/dbraw/zinc/77/09/45/825770945.db2.gz BXKHFLZFYRIZJN-LSDHHAIUSA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090637267 825772650 /nfs/dbraw/zinc/77/26/50/825772650.db2.gz JGGJIMUQBPVFPE-GJZGRUSLSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090637267 825772655 /nfs/dbraw/zinc/77/26/55/825772655.db2.gz JGGJIMUQBPVFPE-GJZGRUSLSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090637268 825772940 /nfs/dbraw/zinc/77/29/40/825772940.db2.gz JGGJIMUQBPVFPE-HUUCEWRRSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090637268 825772948 /nfs/dbraw/zinc/77/29/48/825772948.db2.gz JGGJIMUQBPVFPE-HUUCEWRRSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)C[C@@H]2O)CC1 ZINC001090830018 825862785 /nfs/dbraw/zinc/86/27/85/825862785.db2.gz HSMYYVQIDHXPRF-SJORKVTESA-N 2 1 317.433 -0.094 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815397 826293963 /nfs/dbraw/zinc/29/39/63/826293963.db2.gz RVRAYSRSUGQCDH-ZIAGYGMSSA-N 2 1 320.437 -0.085 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815397 826293968 /nfs/dbraw/zinc/29/39/68/826293968.db2.gz RVRAYSRSUGQCDH-ZIAGYGMSSA-N 2 1 320.437 -0.085 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815214 826294066 /nfs/dbraw/zinc/29/40/66/826294066.db2.gz OHYNEUDPMSTUEU-ZIAGYGMSSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815214 826294067 /nfs/dbraw/zinc/29/40/67/826294067.db2.gz OHYNEUDPMSTUEU-ZIAGYGMSSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815212 826294136 /nfs/dbraw/zinc/29/41/36/826294136.db2.gz OHYNEUDPMSTUEU-KGLIPLIRSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815212 826294139 /nfs/dbraw/zinc/29/41/39/826294139.db2.gz OHYNEUDPMSTUEU-KGLIPLIRSA-N 2 1 318.421 -0.637 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872510 826707316 /nfs/dbraw/zinc/70/73/16/826707316.db2.gz VGTNYLNTLABJRR-HUUCEWRRSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872510 826707320 /nfs/dbraw/zinc/70/73/20/826707320.db2.gz VGTNYLNTLABJRR-HUUCEWRRSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553788 833096034 /nfs/dbraw/zinc/09/60/34/833096034.db2.gz AOFWZXXKHMUDJS-RDJZCZTQSA-N 2 1 323.437 -0.517 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036942 826786853 /nfs/dbraw/zinc/78/68/53/826786853.db2.gz PZEPRCTVTSFKAM-HUUCEWRRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100036942 826786856 /nfs/dbraw/zinc/78/68/56/826786856.db2.gz PZEPRCTVTSFKAM-HUUCEWRRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037115 826787417 /nfs/dbraw/zinc/78/74/17/826787417.db2.gz UEZFRXZVRLFJLQ-LSDHHAIUSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037115 826787418 /nfs/dbraw/zinc/78/74/18/826787418.db2.gz UEZFRXZVRLFJLQ-LSDHHAIUSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100186042 826905569 /nfs/dbraw/zinc/90/55/69/826905569.db2.gz XJUJBZWUOAEPRX-JXQTWKCFSA-N 2 1 306.410 -0.686 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001100185946 826906084 /nfs/dbraw/zinc/90/60/84/826906084.db2.gz TZGUVOXNXCPRAO-JXQTWKCFSA-N 2 1 308.426 -0.133 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212271 826911831 /nfs/dbraw/zinc/91/18/31/826911831.db2.gz VUPUSYQKONCIRV-NRXISQOPSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212271 826911835 /nfs/dbraw/zinc/91/18/35/826911835.db2.gz VUPUSYQKONCIRV-NRXISQOPSA-N 2 1 309.410 -0.549 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509572 826976959 /nfs/dbraw/zinc/97/69/59/826976959.db2.gz NKRPECLLTVZYHK-UHFFFAOYSA-N 2 1 319.409 -0.022 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100900202 827042364 /nfs/dbraw/zinc/04/23/64/827042364.db2.gz VNIUQVQDTFNYSD-UHFFFAOYSA-N 2 1 309.414 -0.548 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001163820204 833171141 /nfs/dbraw/zinc/17/11/41/833171141.db2.gz DPXUWQMPHXQRBM-CYBMUJFWSA-N 2 1 321.425 -0.404 20 30 DBEDMP C[C@H](CN(C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275630542 833196225 /nfs/dbraw/zinc/19/62/25/833196225.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275630542 833196227 /nfs/dbraw/zinc/19/62/27/833196227.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001275630542 833196229 /nfs/dbraw/zinc/19/62/29/833196229.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001275630542 833196231 /nfs/dbraw/zinc/19/62/31/833196231.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001275630542 833196233 /nfs/dbraw/zinc/19/62/33/833196233.db2.gz VEAYPBWWNCKDJN-RDBSUJKOSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CC(=O)NCC#N ZINC001275836243 833213354 /nfs/dbraw/zinc/21/33/54/833213354.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NCC#N ZINC001275836243 833213361 /nfs/dbraw/zinc/21/33/61/833213361.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NCC#N ZINC001275836243 833213367 /nfs/dbraw/zinc/21/33/67/833213367.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NCC#N ZINC001275836243 833213372 /nfs/dbraw/zinc/21/33/72/833213372.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NCC#N ZINC001275836243 833213378 /nfs/dbraw/zinc/21/33/78/833213378.db2.gz SNGLOGVWDPSJHJ-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921554 833222146 /nfs/dbraw/zinc/22/21/46/833222146.db2.gz UWFFBACJECJASN-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921554 833222148 /nfs/dbraw/zinc/22/21/48/833222148.db2.gz UWFFBACJECJASN-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106983048 827690430 /nfs/dbraw/zinc/69/04/30/827690430.db2.gz SIERIUARVPTMFF-QLFBSQMISA-N 2 1 322.453 -0.076 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672706 828129897 /nfs/dbraw/zinc/12/98/97/828129897.db2.gz QGLKYGPQLIQHCM-XGUBFFRZSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672706 828129899 /nfs/dbraw/zinc/12/98/99/828129899.db2.gz QGLKYGPQLIQHCM-XGUBFFRZSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CC[NH+](C)C)C1 ZINC001111861423 828318046 /nfs/dbraw/zinc/31/80/46/828318046.db2.gz MJTHLOFJWNKNRL-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001169798434 833344876 /nfs/dbraw/zinc/34/48/76/833344876.db2.gz PBNFMJDFJWKCMO-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001118131013 829038503 /nfs/dbraw/zinc/03/85/03/829038503.db2.gz PXHCRUSZJYCZIQ-CHWSQXEVSA-N 2 1 309.414 -0.289 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176147108 833401172 /nfs/dbraw/zinc/40/11/72/833401172.db2.gz JAXPZRPZCBZEAB-GFCCVEGCSA-N 2 1 305.382 -0.575 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176986223 833444885 /nfs/dbraw/zinc/44/48/85/833444885.db2.gz IAJHRIZZRFPJOD-CYBMUJFWSA-N 2 1 309.414 -0.404 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255680 829996061 /nfs/dbraw/zinc/99/60/61/829996061.db2.gz KQTISTTVGNIDRL-UONOGXRCSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257009 829997678 /nfs/dbraw/zinc/99/76/78/829997678.db2.gz UVQOOASEXBBHRI-UONOGXRCSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128787309 830130529 /nfs/dbraw/zinc/13/05/29/830130529.db2.gz ZFBQHJZVPSESDC-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129228316 830161500 /nfs/dbraw/zinc/16/15/00/830161500.db2.gz NGJJRILMSWWVQS-KGLIPLIRSA-N 2 1 304.398 -0.405 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362570 830175349 /nfs/dbraw/zinc/17/53/49/830175349.db2.gz ADRPVAIEFSIOOT-INIZCTEOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001129770168 830207696 /nfs/dbraw/zinc/20/76/96/830207696.db2.gz CGNGJRLMSVGPNK-KGLIPLIRSA-N 2 1 316.409 -0.431 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCc2ncnn21 ZINC001129770168 830207704 /nfs/dbraw/zinc/20/77/04/830207704.db2.gz CGNGJRLMSVGPNK-KGLIPLIRSA-N 2 1 316.409 -0.431 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130192661 830279764 /nfs/dbraw/zinc/27/97/64/830279764.db2.gz QMBJMMOHRMXVSP-QWHCGFSZSA-N 2 1 307.398 -0.651 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519266 830478827 /nfs/dbraw/zinc/47/88/27/830478827.db2.gz BVFDYVGFRHEIOP-BBBYJDLNSA-N 2 1 307.394 -0.795 20 30 DBEDMP Cc1[nH+]cc2n1C[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC2 ZINC001133005186 830731342 /nfs/dbraw/zinc/73/13/42/830731342.db2.gz XYIFHWHHCAXPPT-LBPRGKRZSA-N 2 1 318.381 -0.901 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135029639 831001791 /nfs/dbraw/zinc/00/17/91/831001791.db2.gz PUSJHBZIGAXRBQ-NEPJUHHUSA-N 2 1 320.397 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305417 831048447 /nfs/dbraw/zinc/04/84/47/831048447.db2.gz VCFCNZUOAYZONX-CYBMUJFWSA-N 2 1 319.409 -0.185 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135341419 831055523 /nfs/dbraw/zinc/05/55/23/831055523.db2.gz VSJHQMBOFBADNW-CYBMUJFWSA-N 2 1 312.414 -0.895 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135858506 831130407 /nfs/dbraw/zinc/13/04/07/831130407.db2.gz YVHYTLGLMRDYRX-ZIAGYGMSSA-N 2 1 310.442 -0.050 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135882277 831132279 /nfs/dbraw/zinc/13/22/79/831132279.db2.gz JTGSZPFOQXTXOW-OLZOCXBDSA-N 2 1 311.430 -0.159 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135975806 831143468 /nfs/dbraw/zinc/14/34/68/831143468.db2.gz COQDAEXVUTUQLR-CHWSQXEVSA-N 2 1 311.430 -0.159 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135975808 831144128 /nfs/dbraw/zinc/14/41/28/831144128.db2.gz COQDAEXVUTUQLR-QWHCGFSZSA-N 2 1 311.430 -0.159 20 30 DBEDMP C[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147212979 831350078 /nfs/dbraw/zinc/35/00/78/831350078.db2.gz XSJMTVUXZWZFGR-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147212979 831350080 /nfs/dbraw/zinc/35/00/80/831350080.db2.gz XSJMTVUXZWZFGR-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147212979 831350082 /nfs/dbraw/zinc/35/00/82/831350082.db2.gz XSJMTVUXZWZFGR-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147212979 831350084 /nfs/dbraw/zinc/35/00/84/831350084.db2.gz XSJMTVUXZWZFGR-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NCC[NH2+]CC(=O)N(CC)CCC#N ZINC001148638476 831467744 /nfs/dbraw/zinc/46/77/44/831467744.db2.gz IRDAWLZRZYGNOF-UHFFFAOYSA-N 2 1 311.430 -0.204 20 30 DBEDMP C#CC[N@@H+]1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508526 831623975 /nfs/dbraw/zinc/62/39/75/831623975.db2.gz VHLYAMMEEYTGGD-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@H+]1CCCO[C@H](CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001150508526 831623980 /nfs/dbraw/zinc/62/39/80/831623980.db2.gz VHLYAMMEEYTGGD-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699479 831639308 /nfs/dbraw/zinc/63/93/08/831639308.db2.gz JAPDQDXWKSWLMB-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001150699479 831639311 /nfs/dbraw/zinc/63/93/11/831639311.db2.gz JAPDQDXWKSWLMB-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001150699479 831639314 /nfs/dbraw/zinc/63/93/14/831639314.db2.gz JAPDQDXWKSWLMB-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001150699479 831639317 /nfs/dbraw/zinc/63/93/17/831639317.db2.gz JAPDQDXWKSWLMB-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](CC)CCO2)C1=O ZINC001151740929 831706724 /nfs/dbraw/zinc/70/67/24/831706724.db2.gz ZOFOBNUVTJYRSI-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1=O ZINC001151740929 831706729 /nfs/dbraw/zinc/70/67/29/831706729.db2.gz ZOFOBNUVTJYRSI-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386654 831745008 /nfs/dbraw/zinc/74/50/08/831745008.db2.gz NTOOEKOZBNADBE-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001152386654 831745016 /nfs/dbraw/zinc/74/50/16/831745016.db2.gz NTOOEKOZBNADBE-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001152386654 831745021 /nfs/dbraw/zinc/74/50/21/831745021.db2.gz NTOOEKOZBNADBE-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001152386654 831745027 /nfs/dbraw/zinc/74/50/27/831745027.db2.gz NTOOEKOZBNADBE-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001152458620 831752965 /nfs/dbraw/zinc/75/29/65/831752965.db2.gz RRZIALYABGTWGT-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446078 831809697 /nfs/dbraw/zinc/80/96/97/831809697.db2.gz NVBNDQKSCXNTEI-MGPQQGTHSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153446078 831809701 /nfs/dbraw/zinc/80/97/01/831809701.db2.gz NVBNDQKSCXNTEI-MGPQQGTHSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153446078 831809704 /nfs/dbraw/zinc/80/97/04/831809704.db2.gz NVBNDQKSCXNTEI-MGPQQGTHSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153446078 831809708 /nfs/dbraw/zinc/80/97/08/831809708.db2.gz NVBNDQKSCXNTEI-MGPQQGTHSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254805 831924023 /nfs/dbraw/zinc/92/40/23/831924023.db2.gz FMAUVLSFBRISPB-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155254805 831924026 /nfs/dbraw/zinc/92/40/26/831924026.db2.gz FMAUVLSFBRISPB-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155254805 831924031 /nfs/dbraw/zinc/92/40/31/831924031.db2.gz FMAUVLSFBRISPB-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155254805 831924037 /nfs/dbraw/zinc/92/40/37/831924037.db2.gz FMAUVLSFBRISPB-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125092 831969825 /nfs/dbraw/zinc/96/98/25/831969825.db2.gz HKHQBNPUYFOBLA-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125092 831969829 /nfs/dbraw/zinc/96/98/29/831969829.db2.gz HKHQBNPUYFOBLA-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001156146006 831972064 /nfs/dbraw/zinc/97/20/64/831972064.db2.gz RSNAXHIRKNRBAD-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001156146006 831972066 /nfs/dbraw/zinc/97/20/66/831972066.db2.gz RSNAXHIRKNRBAD-UONOGXRCSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374532 831982238 /nfs/dbraw/zinc/98/22/38/831982238.db2.gz RIGZWVASAHJMTI-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374532 831982243 /nfs/dbraw/zinc/98/22/43/831982243.db2.gz RIGZWVASAHJMTI-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374532 831982245 /nfs/dbraw/zinc/98/22/45/831982245.db2.gz RIGZWVASAHJMTI-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374532 831982250 /nfs/dbraw/zinc/98/22/50/831982250.db2.gz RIGZWVASAHJMTI-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC(N)=O)CC1 ZINC001157091791 832020745 /nfs/dbraw/zinc/02/07/45/832020745.db2.gz BSJXTZQIMFDBPH-CYBMUJFWSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(N)=O)CC1 ZINC001157091791 832020750 /nfs/dbraw/zinc/02/07/50/832020750.db2.gz BSJXTZQIMFDBPH-CYBMUJFWSA-N 2 1 308.426 -0.357 20 30 DBEDMP CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+](C)C(C)C ZINC001157109734 832022230 /nfs/dbraw/zinc/02/22/30/832022230.db2.gz SVPUZFJTLOODAE-CYBMUJFWSA-N 2 1 311.430 -0.207 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109734 832022235 /nfs/dbraw/zinc/02/22/35/832022235.db2.gz SVPUZFJTLOODAE-CYBMUJFWSA-N 2 1 311.430 -0.207 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+](C)C(C)C ZINC001157109734 832022241 /nfs/dbraw/zinc/02/22/41/832022241.db2.gz SVPUZFJTLOODAE-CYBMUJFWSA-N 2 1 311.430 -0.207 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+](C)C(C)C ZINC001157109734 832022247 /nfs/dbraw/zinc/02/22/47/832022247.db2.gz SVPUZFJTLOODAE-CYBMUJFWSA-N 2 1 311.430 -0.207 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487037 832117876 /nfs/dbraw/zinc/11/78/76/832117876.db2.gz VISQRRUPBHHTPO-GJZGRUSLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269136123 832147700 /nfs/dbraw/zinc/14/77/00/832147700.db2.gz UXEHOCOAKQILDD-DZGCQCFKSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269193950 832159149 /nfs/dbraw/zinc/15/91/49/832159149.db2.gz YFQLBIHWDFHDJA-GXTWGEPZSA-N 2 1 317.393 -0.480 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185669200 833805824 /nfs/dbraw/zinc/80/58/24/833805824.db2.gz QOWFZQWOBOVZDL-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC001269339872 832417469 /nfs/dbraw/zinc/41/74/69/832417469.db2.gz TWNYQVMSFYRGAP-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CCN(CC(=O)NCC#N)CC1 ZINC001270242798 832516427 /nfs/dbraw/zinc/51/64/27/832516427.db2.gz JPFPQDXGQBBCRF-CYBMUJFWSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001270242798 832516434 /nfs/dbraw/zinc/51/64/34/832516434.db2.gz JPFPQDXGQBBCRF-CYBMUJFWSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cc1cnc[nH]1 ZINC001270525056 832543940 /nfs/dbraw/zinc/54/39/40/832543940.db2.gz DCKKODUAXXRCQM-NEPJUHHUSA-N 2 1 305.382 -0.568 20 30 DBEDMP CC[C@H](C(=O)NC[C@]1(O)CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001271159083 832631236 /nfs/dbraw/zinc/63/12/36/832631236.db2.gz HNEGUDYQICCXGI-GDBMZVCRSA-N 2 1 311.426 -0.471 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001271206093 832638745 /nfs/dbraw/zinc/63/87/45/832638745.db2.gz AUJVRYVIRUNRSJ-NSHDSACASA-N 2 1 306.370 -0.732 20 30 DBEDMP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001271837471 832705702 /nfs/dbraw/zinc/70/57/02/832705702.db2.gz JBVLKRNAZHGIJL-MGPQQGTHSA-N 2 1 323.441 -0.303 20 30 DBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001271905064 832714308 /nfs/dbraw/zinc/71/43/08/832714308.db2.gz LSRFGLHMNFKDIU-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001271905064 832714313 /nfs/dbraw/zinc/71/43/13/832714313.db2.gz LSRFGLHMNFKDIU-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001160197740 832883042 /nfs/dbraw/zinc/88/30/42/832883042.db2.gz DUINIMUYRPTUGK-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N(C)CC ZINC001160197740 832883052 /nfs/dbraw/zinc/88/30/52/832883052.db2.gz DUINIMUYRPTUGK-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC(=O)NCC#N)CC[N@H+]1C ZINC001273515282 832933838 /nfs/dbraw/zinc/93/38/38/832933838.db2.gz UBQCDRPCWJQEPZ-ZIAGYGMSSA-N 2 1 323.441 -0.253 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001273515282 832933840 /nfs/dbraw/zinc/93/38/40/832933840.db2.gz UBQCDRPCWJQEPZ-ZIAGYGMSSA-N 2 1 323.441 -0.253 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NCC#N)CC[NH+]1C ZINC001273515282 832933843 /nfs/dbraw/zinc/93/38/43/832933843.db2.gz UBQCDRPCWJQEPZ-ZIAGYGMSSA-N 2 1 323.441 -0.253 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001273591050 832941545 /nfs/dbraw/zinc/94/15/45/832941545.db2.gz BZRZPGRUSNVJMS-AWEZNQCLSA-N 2 1 322.453 -0.014 20 30 DBEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001273866967 832975679 /nfs/dbraw/zinc/97/56/79/832975679.db2.gz OSLXGQWGLYOZQL-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001273866967 832975682 /nfs/dbraw/zinc/97/56/82/832975682.db2.gz OSLXGQWGLYOZQL-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C[C@@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882503 832978749 /nfs/dbraw/zinc/97/87/49/832978749.db2.gz ZQOHYOLUOWOHSI-GDBMZVCRSA-N 2 1 311.426 -0.354 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981824 833532362 /nfs/dbraw/zinc/53/23/62/833532362.db2.gz FJHQDNPKPPJIFE-FXUDXRNXSA-N 2 1 323.437 -0.066 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@H]1C ZINC001178981824 833532366 /nfs/dbraw/zinc/53/23/66/833532366.db2.gz FJHQDNPKPPJIFE-FXUDXRNXSA-N 2 1 323.437 -0.066 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179534522 833549594 /nfs/dbraw/zinc/54/95/94/833549594.db2.gz NSECFAKZTBXNLO-IHRRRGAJSA-N 2 1 321.425 -0.311 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179534523 833549727 /nfs/dbraw/zinc/54/97/27/833549727.db2.gz NSECFAKZTBXNLO-RDBSUJKOSA-N 2 1 321.425 -0.311 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124750 833570548 /nfs/dbraw/zinc/57/05/48/833570548.db2.gz QIXUOGYZSPDSED-IHRRRGAJSA-N 2 1 308.426 -0.181 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181764527 833643077 /nfs/dbraw/zinc/64/30/77/833643077.db2.gz QHFYTNZAXRJWBP-JKIFEVAISA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001181764527 833643078 /nfs/dbraw/zinc/64/30/78/833643078.db2.gz QHFYTNZAXRJWBP-JKIFEVAISA-N 2 1 320.437 -0.357 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183040608 833704425 /nfs/dbraw/zinc/70/44/25/833704425.db2.gz UVIITGZDLVQYCL-KGLIPLIRSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001183354133 833714372 /nfs/dbraw/zinc/71/43/72/833714372.db2.gz REBGZRJDXUOZRY-KFWWJZLASA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001183354133 833714374 /nfs/dbraw/zinc/71/43/74/833714374.db2.gz REBGZRJDXUOZRY-KFWWJZLASA-N 2 1 309.410 -0.718 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001183576080 833723220 /nfs/dbraw/zinc/72/32/20/833723220.db2.gz BMTWGNDELCZCDF-RBSFLKMASA-N 2 1 309.410 -0.454 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001183576080 833723222 /nfs/dbraw/zinc/72/32/22/833723222.db2.gz BMTWGNDELCZCDF-RBSFLKMASA-N 2 1 309.410 -0.454 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184311097 833756456 /nfs/dbraw/zinc/75/64/56/833756456.db2.gz YSEZXNZJZLAISC-UONOGXRCSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184311100 833756739 /nfs/dbraw/zinc/75/67/39/833756739.db2.gz YSEZXNZJZLAISC-ZIAGYGMSSA-N 2 1 317.393 -0.480 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186356133 833846322 /nfs/dbraw/zinc/84/63/22/833846322.db2.gz SLFRHYUBYCESPW-OAHLLOKOSA-N 2 1 309.410 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@@H]2C1 ZINC001276748924 833894911 /nfs/dbraw/zinc/89/49/11/833894911.db2.gz MDHINAXMKLDRED-QKDCVEJESA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001276748924 833894918 /nfs/dbraw/zinc/89/49/18/833894918.db2.gz MDHINAXMKLDRED-QKDCVEJESA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@@H]2C1 ZINC001276748924 833894933 /nfs/dbraw/zinc/89/49/33/833894933.db2.gz MDHINAXMKLDRED-QKDCVEJESA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001276976513 833915459 /nfs/dbraw/zinc/91/54/59/833915459.db2.gz CFSFVHBMEBXNJH-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001277087232 833925006 /nfs/dbraw/zinc/92/50/06/833925006.db2.gz BRYUYQREJNYUNI-IHRRRGAJSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001187852028 833953221 /nfs/dbraw/zinc/95/32/21/833953221.db2.gz ZOEMRFRVHYJIAR-GXTWGEPZSA-N 2 1 317.393 -0.480 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192135143 834333273 /nfs/dbraw/zinc/33/32/73/834333273.db2.gz QFFZJVRGHKCWFR-AWEZNQCLSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192135143 834333281 /nfs/dbraw/zinc/33/32/81/834333281.db2.gz QFFZJVRGHKCWFR-AWEZNQCLSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133376 834334340 /nfs/dbraw/zinc/33/43/40/834334340.db2.gz ABRMKBPXKBKHOR-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133376 834334350 /nfs/dbraw/zinc/33/43/50/834334350.db2.gz ABRMKBPXKBKHOR-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153324 834335157 /nfs/dbraw/zinc/33/51/57/834335157.db2.gz OLOUHZOAQGNCBS-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189799 834340672 /nfs/dbraw/zinc/34/06/72/834340672.db2.gz HRRPHHJHQJCSOT-GOEBONIOSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001192189799 834340676 /nfs/dbraw/zinc/34/06/76/834340676.db2.gz HRRPHHJHQJCSOT-GOEBONIOSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192355287 834361611 /nfs/dbraw/zinc/36/16/11/834361611.db2.gz QNXPXFKOICVCLO-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355287 834361619 /nfs/dbraw/zinc/36/16/19/834361619.db2.gz QNXPXFKOICVCLO-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355287 834361630 /nfs/dbraw/zinc/36/16/30/834361630.db2.gz QNXPXFKOICVCLO-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355287 834361641 /nfs/dbraw/zinc/36/16/41/834361641.db2.gz QNXPXFKOICVCLO-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192355286 834361728 /nfs/dbraw/zinc/36/17/28/834361728.db2.gz QNXPXFKOICVCLO-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355286 834361736 /nfs/dbraw/zinc/36/17/36/834361736.db2.gz QNXPXFKOICVCLO-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355286 834361747 /nfs/dbraw/zinc/36/17/47/834361747.db2.gz QNXPXFKOICVCLO-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355286 834361756 /nfs/dbraw/zinc/36/17/56/834361756.db2.gz QNXPXFKOICVCLO-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCNC2(C[NH2+]C2)C1 ZINC001246307682 834428526 /nfs/dbraw/zinc/42/85/26/834428526.db2.gz NHAKGCZYZPZFBP-KGLIPLIRSA-N 3 1 310.442 -0.103 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461595 834498783 /nfs/dbraw/zinc/49/87/83/834498783.db2.gz HCZWLZMVOXPJNK-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461595 834498788 /nfs/dbraw/zinc/49/87/88/834498788.db2.gz HCZWLZMVOXPJNK-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193461595 834498797 /nfs/dbraw/zinc/49/87/97/834498797.db2.gz HCZWLZMVOXPJNK-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193461595 834498801 /nfs/dbraw/zinc/49/88/01/834498801.db2.gz HCZWLZMVOXPJNK-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP COC(=O)[C@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+](C)C1 ZINC001251708091 834503167 /nfs/dbraw/zinc/50/31/67/834503167.db2.gz KEGHWFWKWMSGEA-CYBMUJFWSA-N 2 1 310.398 -0.702 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC001251708619 834503270 /nfs/dbraw/zinc/50/32/70/834503270.db2.gz USQDQBSQAIULLI-INIZCTEOSA-N 2 1 321.469 -0.027 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640869 834518839 /nfs/dbraw/zinc/51/88/39/834518839.db2.gz FZCORHRKVHOUBM-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640869 834518846 /nfs/dbraw/zinc/51/88/46/834518846.db2.gz FZCORHRKVHOUBM-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640869 834518854 /nfs/dbraw/zinc/51/88/54/834518854.db2.gz FZCORHRKVHOUBM-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001193821128 834535474 /nfs/dbraw/zinc/53/54/74/834535474.db2.gz FJFZOZSYUFZGEU-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821128 834535481 /nfs/dbraw/zinc/53/54/81/834535481.db2.gz FJFZOZSYUFZGEU-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193821128 834535484 /nfs/dbraw/zinc/53/54/84/834535484.db2.gz FJFZOZSYUFZGEU-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002797 834555826 /nfs/dbraw/zinc/55/58/26/834555826.db2.gz ZIDOUBYWDTVCME-OLZOCXBDSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002797 834555833 /nfs/dbraw/zinc/55/58/33/834555833.db2.gz ZIDOUBYWDTVCME-OLZOCXBDSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002797 834555841 /nfs/dbraw/zinc/55/58/41/834555841.db2.gz ZIDOUBYWDTVCME-OLZOCXBDSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002797 834555851 /nfs/dbraw/zinc/55/58/51/834555851.db2.gz ZIDOUBYWDTVCME-OLZOCXBDSA-N 2 1 307.398 -0.889 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026116 834560232 /nfs/dbraw/zinc/56/02/32/834560232.db2.gz BBHPIERUZYCETK-AWEZNQCLSA-N 2 1 306.410 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194026116 834560236 /nfs/dbraw/zinc/56/02/36/834560236.db2.gz BBHPIERUZYCETK-AWEZNQCLSA-N 2 1 306.410 -0.636 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041222 834562113 /nfs/dbraw/zinc/56/21/13/834562113.db2.gz VTNAUYBXUFOCAQ-LSDHHAIUSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001194285955 834585391 /nfs/dbraw/zinc/58/53/91/834585391.db2.gz VLWBTOGKSBIVNE-CQSZACIVSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194285955 834585396 /nfs/dbraw/zinc/58/53/96/834585396.db2.gz VLWBTOGKSBIVNE-CQSZACIVSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194285955 834585403 /nfs/dbraw/zinc/58/54/03/834585403.db2.gz VLWBTOGKSBIVNE-CQSZACIVSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194285955 834585412 /nfs/dbraw/zinc/58/54/12/834585412.db2.gz VLWBTOGKSBIVNE-CQSZACIVSA-N 2 1 308.426 -0.391 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001194284360 834585840 /nfs/dbraw/zinc/58/58/40/834585840.db2.gz GTEQDQFJRXWBPW-CYBMUJFWSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001194284360 834585850 /nfs/dbraw/zinc/58/58/50/834585850.db2.gz GTEQDQFJRXWBPW-CYBMUJFWSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001194284360 834585859 /nfs/dbraw/zinc/58/58/59/834585859.db2.gz GTEQDQFJRXWBPW-CYBMUJFWSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001194284360 834585877 /nfs/dbraw/zinc/58/58/77/834585877.db2.gz GTEQDQFJRXWBPW-CYBMUJFWSA-N 2 1 309.414 -0.501 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953565 834821739 /nfs/dbraw/zinc/82/17/39/834821739.db2.gz FVUPHKGCKHFFFP-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001196953565 834821741 /nfs/dbraw/zinc/82/17/41/834821741.db2.gz FVUPHKGCKHFFFP-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001197792603 834904783 /nfs/dbraw/zinc/90/47/83/834904783.db2.gz NSFFJEPUWDEIFJ-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792603 834904787 /nfs/dbraw/zinc/90/47/87/834904787.db2.gz NSFFJEPUWDEIFJ-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001197792603 834904791 /nfs/dbraw/zinc/90/47/91/834904791.db2.gz NSFFJEPUWDEIFJ-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699862 834962451 /nfs/dbraw/zinc/96/24/51/834962451.db2.gz YWQHDMZFWFKEHN-RBSFLKMASA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001263835578 834988683 /nfs/dbraw/zinc/98/86/83/834988683.db2.gz XWDVYOBAKYKVFP-QXSJWSMHSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001263835578 834988692 /nfs/dbraw/zinc/98/86/92/834988692.db2.gz XWDVYOBAKYKVFP-QXSJWSMHSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@H]1CC ZINC001264047666 835004043 /nfs/dbraw/zinc/00/40/43/835004043.db2.gz LZSSXXIUZBNQEU-RRFJBIMHSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](NC(=O)[C@H]2CCCN2C)[C@H]1CC ZINC001264047666 835004050 /nfs/dbraw/zinc/00/40/50/835004050.db2.gz LZSSXXIUZBNQEU-RRFJBIMHSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264104457 835009297 /nfs/dbraw/zinc/00/92/97/835009297.db2.gz AEGJHWBGCWJTJT-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001264104457 835009306 /nfs/dbraw/zinc/00/93/06/835009306.db2.gz AEGJHWBGCWJTJT-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001264104457 835009316 /nfs/dbraw/zinc/00/93/16/835009316.db2.gz AEGJHWBGCWJTJT-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CCC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001264104457 835009325 /nfs/dbraw/zinc/00/93/25/835009325.db2.gz AEGJHWBGCWJTJT-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001264490949 835033708 /nfs/dbraw/zinc/03/37/08/835033708.db2.gz HULZTNFLTFSBBC-BFHYXJOUSA-N 2 1 321.425 -0.548 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001264617521 835039383 /nfs/dbraw/zinc/03/93/83/835039383.db2.gz RGFVMTCIYRDARC-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001264617521 835039385 /nfs/dbraw/zinc/03/93/85/835039385.db2.gz RGFVMTCIYRDARC-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199788423 835056937 /nfs/dbraw/zinc/05/69/37/835056937.db2.gz PWFRCJVYTUCJAY-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP N#CCN1CC[NH+](CCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001265243273 835113629 /nfs/dbraw/zinc/11/36/29/835113629.db2.gz LXXJIGMVQAXHLF-INIZCTEOSA-N 2 1 319.453 -0.024 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001265459773 835144038 /nfs/dbraw/zinc/14/40/38/835144038.db2.gz MTGIOYMAYKDESQ-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786567 835152153 /nfs/dbraw/zinc/15/21/53/835152153.db2.gz GQRXBKMWAANHCR-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786567 835152160 /nfs/dbraw/zinc/15/21/60/835152160.db2.gz GQRXBKMWAANHCR-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265726416 835165993 /nfs/dbraw/zinc/16/59/93/835165993.db2.gz CRQMHGNZOCIIQN-XPABHHOTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265726416 835165996 /nfs/dbraw/zinc/16/59/96/835165996.db2.gz CRQMHGNZOCIIQN-XPABHHOTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265726416 835166001 /nfs/dbraw/zinc/16/60/01/835166001.db2.gz CRQMHGNZOCIIQN-XPABHHOTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001265785824 835172697 /nfs/dbraw/zinc/17/26/97/835172697.db2.gz IIDZRCPPZOBDSB-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)N1CCC1 ZINC001265785824 835172701 /nfs/dbraw/zinc/17/27/01/835172701.db2.gz IIDZRCPPZOBDSB-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001265905699 835195428 /nfs/dbraw/zinc/19/54/28/835195428.db2.gz VNGQUUJTOAGMRK-FRRDWIJNSA-N 2 1 307.398 -0.843 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202503434 835251826 /nfs/dbraw/zinc/25/18/26/835251826.db2.gz MWKGLHLQNVEVPB-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202503436 835252213 /nfs/dbraw/zinc/25/22/13/835252213.db2.gz MWKGLHLQNVEVPB-ZFWWWQNUSA-N 2 1 320.437 -0.486 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202495542 835252297 /nfs/dbraw/zinc/25/22/97/835252297.db2.gz GFATXCHETRWLLK-CYBMUJFWSA-N 2 1 321.425 -0.309 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266350987 835288978 /nfs/dbraw/zinc/28/89/78/835288978.db2.gz XCACQYGJQUWPHG-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266350987 835288984 /nfs/dbraw/zinc/28/89/84/835288984.db2.gz XCACQYGJQUWPHG-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203337277 835293414 /nfs/dbraw/zinc/29/34/14/835293414.db2.gz GGDKDVUZMVEFSO-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001266410001 835302264 /nfs/dbraw/zinc/30/22/64/835302264.db2.gz WARLOJXESRTWPJ-YUELXQCFSA-N 2 1 320.437 -0.440 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203693238 835304814 /nfs/dbraw/zinc/30/48/14/835304814.db2.gz UUPFWAWPCUWCHJ-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876408 835330655 /nfs/dbraw/zinc/33/06/55/835330655.db2.gz VLQKXHIAUIFIQJ-MRXNPFEDSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876408 835330660 /nfs/dbraw/zinc/33/06/60/835330660.db2.gz VLQKXHIAUIFIQJ-MRXNPFEDSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001266531807 835331775 /nfs/dbraw/zinc/33/17/75/835331775.db2.gz HZJUSEHURKNKEQ-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC#CCOC)C1 ZINC001266531807 835331786 /nfs/dbraw/zinc/33/17/86/835331786.db2.gz HZJUSEHURKNKEQ-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266699860 835363502 /nfs/dbraw/zinc/36/35/02/835363502.db2.gz QWPYXVCCRMFKME-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001266723334 835369458 /nfs/dbraw/zinc/36/94/58/835369458.db2.gz BTCDGIGLRXHDTC-MELADBBJSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267108532 835443586 /nfs/dbraw/zinc/44/35/86/835443586.db2.gz OVCKBAVABRURBN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267108532 835443588 /nfs/dbraw/zinc/44/35/88/835443588.db2.gz OVCKBAVABRURBN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267108532 835443592 /nfs/dbraw/zinc/44/35/92/835443592.db2.gz OVCKBAVABRURBN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267108532 835443596 /nfs/dbraw/zinc/44/35/96/835443596.db2.gz OVCKBAVABRURBN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267115305 835444876 /nfs/dbraw/zinc/44/48/76/835444876.db2.gz SQZWOJHVQYCPHT-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267115305 835444884 /nfs/dbraw/zinc/44/48/84/835444884.db2.gz SQZWOJHVQYCPHT-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267115305 835444889 /nfs/dbraw/zinc/44/48/89/835444889.db2.gz SQZWOJHVQYCPHT-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267115305 835444899 /nfs/dbraw/zinc/44/48/99/835444899.db2.gz SQZWOJHVQYCPHT-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cncn1 ZINC001267131939 835447852 /nfs/dbraw/zinc/44/78/52/835447852.db2.gz KSBXWNQJJHARAE-CABCVRRESA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCn1cncn1 ZINC001267131939 835447856 /nfs/dbraw/zinc/44/78/56/835447856.db2.gz KSBXWNQJJHARAE-CABCVRRESA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267282686 835475093 /nfs/dbraw/zinc/47/50/93/835475093.db2.gz RQYBNTOFNQOQSS-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267282686 835475101 /nfs/dbraw/zinc/47/51/01/835475101.db2.gz RQYBNTOFNQOQSS-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282686 835475105 /nfs/dbraw/zinc/47/51/05/835475105.db2.gz RQYBNTOFNQOQSS-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267282686 835475112 /nfs/dbraw/zinc/47/51/12/835475112.db2.gz RQYBNTOFNQOQSS-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001267472043 835520179 /nfs/dbraw/zinc/52/01/79/835520179.db2.gz ZZGFSQHDKCHIHP-ZDUSSCGKSA-N 2 1 312.414 -0.943 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001267472043 835520187 /nfs/dbraw/zinc/52/01/87/835520187.db2.gz ZZGFSQHDKCHIHP-ZDUSSCGKSA-N 2 1 312.414 -0.943 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001267472042 835520714 /nfs/dbraw/zinc/52/07/14/835520714.db2.gz ZZGFSQHDKCHIHP-CYBMUJFWSA-N 2 1 312.414 -0.943 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001267472042 835520719 /nfs/dbraw/zinc/52/07/19/835520719.db2.gz ZZGFSQHDKCHIHP-CYBMUJFWSA-N 2 1 312.414 -0.943 20 30 DBEDMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001267506024 835524338 /nfs/dbraw/zinc/52/43/38/835524338.db2.gz UAVINMGOZDSFNI-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001267506024 835524340 /nfs/dbraw/zinc/52/43/40/835524340.db2.gz UAVINMGOZDSFNI-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NCC#N ZINC001267506024 835524342 /nfs/dbraw/zinc/52/43/42/835524342.db2.gz UAVINMGOZDSFNI-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001267557529 835531576 /nfs/dbraw/zinc/53/15/76/835531576.db2.gz HABUDKNRNPQXRA-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267557529 835531585 /nfs/dbraw/zinc/53/15/85/835531585.db2.gz HABUDKNRNPQXRA-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001267557529 835531589 /nfs/dbraw/zinc/53/15/89/835531589.db2.gz HABUDKNRNPQXRA-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC(=O)NC)C1 ZINC001267557529 835531600 /nfs/dbraw/zinc/53/16/00/835531600.db2.gz HABUDKNRNPQXRA-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001267571226 835533024 /nfs/dbraw/zinc/53/30/24/835533024.db2.gz KAMPJIDZSMFSOT-HNNXBMFYSA-N 2 1 320.437 -0.340 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001267587594 835536522 /nfs/dbraw/zinc/53/65/22/835536522.db2.gz BAAVSJRXLYEJBT-HNNXBMFYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267749551 835585716 /nfs/dbraw/zinc/58/57/16/835585716.db2.gz RJMHIDLJXDWPJP-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267749551 835585717 /nfs/dbraw/zinc/58/57/17/835585717.db2.gz RJMHIDLJXDWPJP-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001267995083 835617444 /nfs/dbraw/zinc/61/74/44/835617444.db2.gz BTHXRTLWSODDFL-JSGCOSHPSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001268069184 835628369 /nfs/dbraw/zinc/62/83/69/835628369.db2.gz UOKMMAHAQWQKIQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001268069184 835628371 /nfs/dbraw/zinc/62/83/71/835628371.db2.gz UOKMMAHAQWQKIQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001268657831 835768350 /nfs/dbraw/zinc/76/83/50/835768350.db2.gz KGSPEKVGPULPAB-MCIONIFRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734568 835791605 /nfs/dbraw/zinc/79/16/05/835791605.db2.gz XMWMTFDJFPHBBE-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734568 835791611 /nfs/dbraw/zinc/79/16/11/835791611.db2.gz XMWMTFDJFPHBBE-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485352092 1013150167 /nfs/dbraw/zinc/15/01/67/1013150167.db2.gz XMGYIAJLSXETQU-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485352092 1013150172 /nfs/dbraw/zinc/15/01/72/1013150172.db2.gz XMGYIAJLSXETQU-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485352092 1013150176 /nfs/dbraw/zinc/15/01/76/1013150176.db2.gz XMGYIAJLSXETQU-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485352092 1013150184 /nfs/dbraw/zinc/15/01/84/1013150184.db2.gz XMGYIAJLSXETQU-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385557 1013176140 /nfs/dbraw/zinc/17/61/40/1013176140.db2.gz LPRMYEGJEPPKAL-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385557 1013176158 /nfs/dbraw/zinc/17/61/58/1013176158.db2.gz LPRMYEGJEPPKAL-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001485390229 1013183348 /nfs/dbraw/zinc/18/33/48/1013183348.db2.gz YDHYFELBCVVDAJ-QWHCGFSZSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001485390229 1013183354 /nfs/dbraw/zinc/18/33/54/1013183354.db2.gz YDHYFELBCVVDAJ-QWHCGFSZSA-N 2 1 308.426 -0.358 20 30 DBEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485819737 1013376967 /nfs/dbraw/zinc/37/69/67/1013376967.db2.gz JJCGAYSHLKZWQN-KGLIPLIRSA-N 2 1 321.425 -0.453 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001486090928 1013669107 /nfs/dbraw/zinc/66/91/07/1013669107.db2.gz DZVAMVRCXSNTQY-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001528443520 1014415379 /nfs/dbraw/zinc/41/53/79/1014415379.db2.gz DDLFRLCNLGIDLZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H](CC)[NH+](C)C ZINC001528443520 1014415399 /nfs/dbraw/zinc/41/53/99/1014415399.db2.gz DDLFRLCNLGIDLZ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117658 977657161 /nfs/dbraw/zinc/65/71/61/977657161.db2.gz WKJRDZKFFPIQOP-JKSUJKDBSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117658 977657170 /nfs/dbraw/zinc/65/71/70/977657170.db2.gz WKJRDZKFFPIQOP-JKSUJKDBSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052958395 977843846 /nfs/dbraw/zinc/84/38/46/977843846.db2.gz MWUJYDICJGVVBQ-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689017 978235261 /nfs/dbraw/zinc/23/52/61/978235261.db2.gz VGYBQECVDHLUJQ-OLZOCXBDSA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698311 978237400 /nfs/dbraw/zinc/23/74/00/978237400.db2.gz YEDJNCRPOYUBTA-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001207698311 978237416 /nfs/dbraw/zinc/23/74/16/978237416.db2.gz YEDJNCRPOYUBTA-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001207733904 978248941 /nfs/dbraw/zinc/24/89/41/978248941.db2.gz AQCDIYLTUJCPQF-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001207733904 978248946 /nfs/dbraw/zinc/24/89/46/978248946.db2.gz AQCDIYLTUJCPQF-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208352323 978351063 /nfs/dbraw/zinc/35/10/63/978351063.db2.gz BKTZCEGNFQDJIK-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208352323 978351074 /nfs/dbraw/zinc/35/10/74/978351074.db2.gz BKTZCEGNFQDJIK-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208453235 978371226 /nfs/dbraw/zinc/37/12/26/978371226.db2.gz BZBZTXKPYDKWIU-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209630661 978466803 /nfs/dbraw/zinc/46/68/03/978466803.db2.gz AUWOQZLKXAQJCA-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001209630665 978467334 /nfs/dbraw/zinc/46/73/34/978467334.db2.gz AUWOQZLKXAQJCA-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001210040254 978491104 /nfs/dbraw/zinc/49/11/04/978491104.db2.gz DIHCRWVDPIBWRB-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001210040254 978491110 /nfs/dbraw/zinc/49/11/10/978491110.db2.gz DIHCRWVDPIBWRB-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040254 978491118 /nfs/dbraw/zinc/49/11/18/978491118.db2.gz DIHCRWVDPIBWRB-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001210040254 978491124 /nfs/dbraw/zinc/49/11/24/978491124.db2.gz DIHCRWVDPIBWRB-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211369944 978568381 /nfs/dbraw/zinc/56/83/81/978568381.db2.gz VMBXTSQSIKOWJM-ZIAGYGMSSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211369944 978568389 /nfs/dbraw/zinc/56/83/89/978568389.db2.gz VMBXTSQSIKOWJM-ZIAGYGMSSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369944 978568397 /nfs/dbraw/zinc/56/83/97/978568397.db2.gz VMBXTSQSIKOWJM-ZIAGYGMSSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211369944 978568409 /nfs/dbraw/zinc/56/84/09/978568409.db2.gz VMBXTSQSIKOWJM-ZIAGYGMSSA-N 2 1 308.426 -0.488 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388991 978729269 /nfs/dbraw/zinc/72/92/69/978729269.db2.gz OSMUORHVYRGXRZ-MCIONIFRSA-N 2 1 324.425 -0.944 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388991 978729273 /nfs/dbraw/zinc/72/92/73/978729273.db2.gz OSMUORHVYRGXRZ-MCIONIFRSA-N 2 1 324.425 -0.944 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968968 978757118 /nfs/dbraw/zinc/75/71/18/978757118.db2.gz GGPTZLAFQWTVKA-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214969361 978757358 /nfs/dbraw/zinc/75/73/58/978757358.db2.gz PGCLILCMGLZKCK-MCIONIFRSA-N 2 1 321.425 -0.453 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001216490962 978787628 /nfs/dbraw/zinc/78/76/28/978787628.db2.gz YMQBLUHQTANBOE-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001216502516 978788313 /nfs/dbraw/zinc/78/83/13/978788313.db2.gz FNLLUZXBAAIBQH-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP CC(C)[NH2+]CCCC[C@H]([NH3+])C(=O)N(O)C(=N)c1nonc1N ZINC001218518327 978828189 /nfs/dbraw/zinc/82/81/89/978828189.db2.gz PSBPJQGVHZVVJB-QMMMGPOBSA-N 2 1 313.362 -0.309 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCO[C@@H]2CN(CC#CCOC)C[C@@H]21 ZINC001218919619 978859287 /nfs/dbraw/zinc/85/92/87/978859287.db2.gz WBYCFEAJNADIQL-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP C=C(CC[NH+](C)C)C(=O)NC[C@@]1(CO)COC[C@@H]2CCC[N@H+]21 ZINC001529320782 1014540335 /nfs/dbraw/zinc/54/03/35/1014540335.db2.gz NWNUISUDBUWSCD-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001220771132 979281091 /nfs/dbraw/zinc/28/10/91/979281091.db2.gz GJAMAMRWMNPOAD-KGLIPLIRSA-N 2 1 309.410 -0.554 20 30 DBEDMP C#C[C@](C)([NH3+])C(=O)NCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC001220900379 979319156 /nfs/dbraw/zinc/31/91/56/979319156.db2.gz IORKUQDHAQPABJ-KRWDZBQOSA-N 2 1 320.437 -0.070 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001225524769 979599123 /nfs/dbraw/zinc/59/91/23/979599123.db2.gz KCULCPOQSMFIPG-OAGGEKHMSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001225524769 979599131 /nfs/dbraw/zinc/59/91/31/979599131.db2.gz KCULCPOQSMFIPG-OAGGEKHMSA-N 2 1 323.437 -0.016 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001229058523 979675356 /nfs/dbraw/zinc/67/53/56/979675356.db2.gz PQZNIEJVHWHLJK-MRXNPFEDSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008492 979675845 /nfs/dbraw/zinc/67/58/45/979675845.db2.gz OMCDUJQSSXTZNO-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001325111794 979701999 /nfs/dbraw/zinc/70/19/99/979701999.db2.gz WDVGTHBUDQLNNK-XJKSGUPXSA-N 2 1 302.378 -0.368 20 30 DBEDMP C#CCN1CC[C@@](O)(CNC(=O)[C@H]2CCn3cncc3C2)C1 ZINC001325111794 979702020 /nfs/dbraw/zinc/70/20/20/979702020.db2.gz WDVGTHBUDQLNNK-XJKSGUPXSA-N 2 1 302.378 -0.368 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001331074772 979854235 /nfs/dbraw/zinc/85/42/35/979854235.db2.gz NRFXOFUQZXTACJ-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001331074772 979854241 /nfs/dbraw/zinc/85/42/41/979854241.db2.gz NRFXOFUQZXTACJ-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001331584519 979891066 /nfs/dbraw/zinc/89/10/66/979891066.db2.gz LRKBXZPPLSDPLL-NWDGAFQWSA-N 2 1 320.397 -0.335 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#CCOC)CC[N@H+]1C ZINC001331712879 979893970 /nfs/dbraw/zinc/89/39/70/979893970.db2.gz VBIXGVHPBULCKC-QLFBSQMISA-N 2 1 311.426 -0.567 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001488859235 1014617989 /nfs/dbraw/zinc/61/79/89/1014617989.db2.gz VFXKYXLRADPPFX-KKUMJFAQSA-N 2 1 320.437 -0.438 20 30 DBEDMP N#CC[C@@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780990 980086519 /nfs/dbraw/zinc/08/65/19/980086519.db2.gz LADDCVUGJNNZAE-HZPDHXFCSA-N 2 1 322.409 -0.296 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346373495 980136089 /nfs/dbraw/zinc/13/60/89/980136089.db2.gz GHIPIXQZNRNAAV-GJZGRUSLSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346373495 980136094 /nfs/dbraw/zinc/13/60/94/980136094.db2.gz GHIPIXQZNRNAAV-GJZGRUSLSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346373495 980136098 /nfs/dbraw/zinc/13/60/98/980136098.db2.gz GHIPIXQZNRNAAV-GJZGRUSLSA-N 2 1 309.458 -0.125 20 30 DBEDMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1N=CC=CC1=O ZINC001348446936 980307845 /nfs/dbraw/zinc/30/78/45/980307845.db2.gz MGGYFXXYHDGDAQ-DKASORFFSA-N 2 1 308.382 -0.441 20 30 DBEDMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)C1N=CC=CC1=O ZINC001348446940 980308620 /nfs/dbraw/zinc/30/86/20/980308620.db2.gz MGGYFXXYHDGDAQ-VCHHOEMESA-N 2 1 308.382 -0.441 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270350 1014913105 /nfs/dbraw/zinc/91/31/05/1014913105.db2.gz LSOUNTPVSYIDGA-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001490270350 1014913108 /nfs/dbraw/zinc/91/31/08/1014913108.db2.gz LSOUNTPVSYIDGA-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490270350 1014913111 /nfs/dbraw/zinc/91/31/11/1014913111.db2.gz LSOUNTPVSYIDGA-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[NH+]1CCCC1 ZINC001490280270 1014915520 /nfs/dbraw/zinc/91/55/20/1014915520.db2.gz WEXPZEMTXIYEAN-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001490356632 1014942269 /nfs/dbraw/zinc/94/22/69/1014942269.db2.gz JOKPLPZVWLUIKY-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001490356632 1014942279 /nfs/dbraw/zinc/94/22/79/1014942279.db2.gz JOKPLPZVWLUIKY-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001490356632 1014942288 /nfs/dbraw/zinc/94/22/88/1014942288.db2.gz JOKPLPZVWLUIKY-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001490401557 1014955181 /nfs/dbraw/zinc/95/51/81/1014955181.db2.gz BGWRZDHSRNBKIZ-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001490401557 1014955194 /nfs/dbraw/zinc/95/51/94/1014955194.db2.gz BGWRZDHSRNBKIZ-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001490826478 1015125053 /nfs/dbraw/zinc/12/50/53/1015125053.db2.gz SWWWMEUMOAYLRY-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001491004373 1015186813 /nfs/dbraw/zinc/18/68/13/1015186813.db2.gz GACIBRCJJALKHQ-FQUUOJAGSA-N 2 1 324.425 -0.756 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001491004373 1015186820 /nfs/dbraw/zinc/18/68/20/1015186820.db2.gz GACIBRCJJALKHQ-FQUUOJAGSA-N 2 1 324.425 -0.756 20 30 DBEDMP C[C@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487263 1015448806 /nfs/dbraw/zinc/44/88/06/1015448806.db2.gz XXUTVFAUDAVTKJ-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP C[C@@H](CNC(=O)CC[C@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487264 1015449019 /nfs/dbraw/zinc/44/90/19/1015449019.db2.gz XXUTVFAUDAVTKJ-QWHCGFSZSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001491560946 1015488837 /nfs/dbraw/zinc/48/88/37/1015488837.db2.gz STWHCYOMLHAICV-IHRRRGAJSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491804077 1015629629 /nfs/dbraw/zinc/62/96/29/1015629629.db2.gz CJELDBNDRKDPQJ-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890755 1015663904 /nfs/dbraw/zinc/66/39/04/1015663904.db2.gz FSRSVKJZKSMOAV-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001392468514 996949804 /nfs/dbraw/zinc/94/98/04/996949804.db2.gz ZPZZBKZEFAFRGT-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001494624934 1016350653 /nfs/dbraw/zinc/35/06/53/1016350653.db2.gz HMYBHAQACQGCAE-JSGCOSHPSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001494624934 1016350660 /nfs/dbraw/zinc/35/06/60/1016350660.db2.gz HMYBHAQACQGCAE-JSGCOSHPSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001495023517 1016522919 /nfs/dbraw/zinc/52/29/19/1016522919.db2.gz KQDDOFIAOVTUTB-UONOGXRCSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495301370 1016607869 /nfs/dbraw/zinc/60/78/69/1016607869.db2.gz UDVLWCQVFDMESU-SUMWQHHRSA-N 2 1 320.437 -0.438 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001495667057 1016682696 /nfs/dbraw/zinc/68/26/96/1016682696.db2.gz HBUHKACOGXKKCM-MELADBBJSA-N 2 1 323.441 -0.302 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001495729312 1016709134 /nfs/dbraw/zinc/70/91/34/1016709134.db2.gz HJTBKEZKWAQNJE-RDBSUJKOSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001496369337 1016899387 /nfs/dbraw/zinc/89/93/87/1016899387.db2.gz QFVIOLPGZBPFOX-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496640808 1016977772 /nfs/dbraw/zinc/97/77/72/1016977772.db2.gz BVYCZMZUSMAAAH-CQSZACIVSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479284825 1010234083 /nfs/dbraw/zinc/23/40/83/1010234083.db2.gz JGIRHTVGQFKGSE-KBXIAJHMSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001479284826 1010234975 /nfs/dbraw/zinc/23/49/75/1010234975.db2.gz JGIRHTVGQFKGSE-XQLPTFJDSA-N 2 1 320.437 -0.297 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001479341702 1010256588 /nfs/dbraw/zinc/25/65/88/1010256588.db2.gz SCNXGJKLZJLCMJ-BETUJISGSA-N 2 1 318.381 -0.684 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001479416297 1010283682 /nfs/dbraw/zinc/28/36/82/1010283682.db2.gz YCWPKPUSRZLQKG-APIJFGDWSA-N 2 1 320.437 -0.440 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001480111893 1010536706 /nfs/dbraw/zinc/53/67/06/1010536706.db2.gz RGLBRTNQPDQCLS-ZDUSSCGKSA-N 2 1 308.426 -0.037 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480140633 1010551538 /nfs/dbraw/zinc/55/15/38/1010551538.db2.gz BCCHXKAJUSVMJB-IHRRRGAJSA-N 2 1 321.425 -0.263 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480153165 1010557799 /nfs/dbraw/zinc/55/77/99/1010557799.db2.gz IDNCULMUOOGTBF-XDQVBPFNSA-N 2 1 306.410 -0.545 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480223814 1010580392 /nfs/dbraw/zinc/58/03/92/1010580392.db2.gz JNWJLZCATUGXPP-RWMBFGLXSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001480223866 1010580837 /nfs/dbraw/zinc/58/08/37/1010580837.db2.gz KUYYUNHPWYXBOH-MCIONIFRSA-N 2 1 306.410 -0.686 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263248 1010597959 /nfs/dbraw/zinc/59/79/59/1010597959.db2.gz MEKHZSKWYOMOIW-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263248 1010597967 /nfs/dbraw/zinc/59/79/67/1010597967.db2.gz MEKHZSKWYOMOIW-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001480381949 1010622489 /nfs/dbraw/zinc/62/24/89/1010622489.db2.gz GIQBVTCYFUTMJA-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001480381949 1010622495 /nfs/dbraw/zinc/62/24/95/1010622495.db2.gz GIQBVTCYFUTMJA-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001480950258 1010814229 /nfs/dbraw/zinc/81/42/29/1010814229.db2.gz FRGDVTKSWBFSMJ-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H]2CCN(C)C2=O)CC1 ZINC001480950258 1010814230 /nfs/dbraw/zinc/81/42/30/1010814230.db2.gz FRGDVTKSWBFSMJ-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001481257247 1010875796 /nfs/dbraw/zinc/87/57/96/1010875796.db2.gz BFSVSGQZDJNVFO-CYBMUJFWSA-N 2 1 305.382 -0.623 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001481290244 1010882758 /nfs/dbraw/zinc/88/27/58/1010882758.db2.gz FTCQRTVDVHOWTD-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001481824291 1011009794 /nfs/dbraw/zinc/00/97/94/1011009794.db2.gz SAWNYPHBJKCFDN-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482100190 1011052410 /nfs/dbraw/zinc/05/24/10/1011052410.db2.gz BCBJPZIALRNLKH-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353994 1011126544 /nfs/dbraw/zinc/12/65/44/1011126544.db2.gz MVINSMWKTUPYBT-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482354859 1011129071 /nfs/dbraw/zinc/12/90/71/1011129071.db2.gz UWKRABBMSVRXCD-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001482768267 1011416999 /nfs/dbraw/zinc/41/69/99/1011416999.db2.gz SIPSJKSSPHJOLZ-ZFWWWQNUSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001482842205 1011506950 /nfs/dbraw/zinc/50/69/50/1011506950.db2.gz YCVNOFCBIBEDPL-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001482842205 1011506966 /nfs/dbraw/zinc/50/69/66/1011506966.db2.gz YCVNOFCBIBEDPL-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001482842204 1011508056 /nfs/dbraw/zinc/50/80/56/1011508056.db2.gz YCVNOFCBIBEDPL-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NC1CC1 ZINC001482842204 1011508063 /nfs/dbraw/zinc/50/80/63/1011508063.db2.gz YCVNOFCBIBEDPL-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001482929587 1011545500 /nfs/dbraw/zinc/54/55/00/1011545500.db2.gz BNMAHSIFPWVXAG-HNNXBMFYSA-N 2 1 318.421 -0.729 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001482929587 1011545510 /nfs/dbraw/zinc/54/55/10/1011545510.db2.gz BNMAHSIFPWVXAG-HNNXBMFYSA-N 2 1 318.421 -0.729 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001482990855 1011575867 /nfs/dbraw/zinc/57/58/67/1011575867.db2.gz IQNLTMKUQZOLEZ-BEVHLOIGSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380075 1011860915 /nfs/dbraw/zinc/86/09/15/1011860915.db2.gz CXHKGTINBJLZPO-UKRRQHHQSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380075 1011860919 /nfs/dbraw/zinc/86/09/19/1011860919.db2.gz CXHKGTINBJLZPO-UKRRQHHQSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001483466262 1011882080 /nfs/dbraw/zinc/88/20/80/1011882080.db2.gz DALPIYJQYLAFJP-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001483548632 1011899361 /nfs/dbraw/zinc/89/93/61/1011899361.db2.gz BVPGVIMOIHYJPO-KGLIPLIRSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CC1 ZINC001483791579 1012141022 /nfs/dbraw/zinc/14/10/22/1012141022.db2.gz YJOYKUGGMBHOFB-LBPRGKRZSA-N 2 1 317.393 -0.432 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001483794941 1012146150 /nfs/dbraw/zinc/14/61/50/1012146150.db2.gz NGKDZXBIUVTDSW-CYBMUJFWSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001484066598 1012300623 /nfs/dbraw/zinc/30/06/23/1012300623.db2.gz ATLNDSVOHLIDKV-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001484066598 1012300646 /nfs/dbraw/zinc/30/06/46/1012300646.db2.gz ATLNDSVOHLIDKV-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066598 1012300663 /nfs/dbraw/zinc/30/06/63/1012300663.db2.gz ATLNDSVOHLIDKV-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001484066598 1012300685 /nfs/dbraw/zinc/30/06/85/1012300685.db2.gz ATLNDSVOHLIDKV-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001484252561 1012460521 /nfs/dbraw/zinc/46/05/21/1012460521.db2.gz VGWMHSDSWHIITJ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001484252561 1012460533 /nfs/dbraw/zinc/46/05/33/1012460533.db2.gz VGWMHSDSWHIITJ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001484252561 1012460540 /nfs/dbraw/zinc/46/05/40/1012460540.db2.gz VGWMHSDSWHIITJ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001484252561 1012460549 /nfs/dbraw/zinc/46/05/49/1012460549.db2.gz VGWMHSDSWHIITJ-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001484252563 1012463881 /nfs/dbraw/zinc/46/38/81/1012463881.db2.gz VGWMHSDSWHIITJ-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001484252563 1012463894 /nfs/dbraw/zinc/46/38/94/1012463894.db2.gz VGWMHSDSWHIITJ-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001484252563 1012463907 /nfs/dbraw/zinc/46/39/07/1012463907.db2.gz VGWMHSDSWHIITJ-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001484252563 1012463913 /nfs/dbraw/zinc/46/39/13/1012463913.db2.gz VGWMHSDSWHIITJ-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCCO)C2)CC1 ZINC001484253728 1012464012 /nfs/dbraw/zinc/46/40/12/1012464012.db2.gz ZPRUZNXGPJXRJC-KRWDZBQOSA-N 2 1 323.437 -0.733 20 30 DBEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001484417708 1012616037 /nfs/dbraw/zinc/61/60/37/1012616037.db2.gz CCOXGKIXFGTVLU-HNNXBMFYSA-N 2 1 310.442 -0.327 20 30 DBEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001484417708 1012616052 /nfs/dbraw/zinc/61/60/52/1012616052.db2.gz CCOXGKIXFGTVLU-HNNXBMFYSA-N 2 1 310.442 -0.327 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001484736105 1012843685 /nfs/dbraw/zinc/84/36/85/1012843685.db2.gz GTJGIJMWDRWHKH-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484736105 1012843697 /nfs/dbraw/zinc/84/36/97/1012843697.db2.gz GTJGIJMWDRWHKH-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001484736105 1012843703 /nfs/dbraw/zinc/84/37/03/1012843703.db2.gz GTJGIJMWDRWHKH-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001485096370 1012993409 /nfs/dbraw/zinc/99/34/09/1012993409.db2.gz YNVJKDXOYYZNNR-RUXDESIVSA-N 2 1 321.425 -0.405 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001485178973 1013038395 /nfs/dbraw/zinc/03/83/95/1013038395.db2.gz XJWMTAGLKPHBKG-NEPJUHHUSA-N 2 1 306.370 -0.686 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497829784 1017516733 /nfs/dbraw/zinc/51/67/33/1017516733.db2.gz QTAWSUYICVYHMP-CHWSQXEVSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001497830515 1017518695 /nfs/dbraw/zinc/51/86/95/1017518695.db2.gz YHKCYASMEFMNNL-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)N(C)C1CC1 ZINC001497830515 1017518709 /nfs/dbraw/zinc/51/87/09/1017518709.db2.gz YHKCYASMEFMNNL-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001497830468 1017519096 /nfs/dbraw/zinc/51/90/96/1017519096.db2.gz WKQQBEWWRSCICD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H]1CCCN(C)C1=O ZINC001497830468 1017519106 /nfs/dbraw/zinc/51/91/06/1017519106.db2.gz WKQQBEWWRSCICD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863686 1017877432 /nfs/dbraw/zinc/87/74/32/1017877432.db2.gz MQWNYNGAGQOPPQ-QWHCGFSZSA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCOCC1 ZINC001500572262 1018354423 /nfs/dbraw/zinc/35/44/23/1018354423.db2.gz KQVHBDCILMXWJS-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCOC)CCOCC1 ZINC001500572262 1018354434 /nfs/dbraw/zinc/35/44/34/1018354434.db2.gz KQVHBDCILMXWJS-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001501152701 1018587752 /nfs/dbraw/zinc/58/77/52/1018587752.db2.gz CFFUBGUNCFCFPI-UONOGXRCSA-N 2 1 323.441 -0.350 20 30 DBEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001502594314 1019104622 /nfs/dbraw/zinc/10/46/22/1019104622.db2.gz ZPLGORMRDRRQBW-MRXNPFEDSA-N 2 1 311.426 -0.162 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061392 1019697394 /nfs/dbraw/zinc/69/73/94/1019697394.db2.gz UNRMBLOASIHSKJ-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061392 1019697400 /nfs/dbraw/zinc/69/74/00/1019697400.db2.gz UNRMBLOASIHSKJ-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC)C1 ZINC001506061392 1019697403 /nfs/dbraw/zinc/69/74/03/1019697403.db2.gz UNRMBLOASIHSKJ-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC)C1 ZINC001506061392 1019697414 /nfs/dbraw/zinc/69/74/14/1019697414.db2.gz UNRMBLOASIHSKJ-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)C1 ZINC001507161127 1020111188 /nfs/dbraw/zinc/11/11/88/1020111188.db2.gz XQMQJULFZJQPRH-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC#CCOC)C1 ZINC001507161127 1020111195 /nfs/dbraw/zinc/11/11/95/1020111195.db2.gz XQMQJULFZJQPRH-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP COCC[NH+](CCOC)C1CN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC001579032762 1020356930 /nfs/dbraw/zinc/35/69/30/1020356930.db2.gz JDWUQBHQZJKVHB-UHFFFAOYSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCN(C3C[NH+](C)C3)CC2)CC1 ZINC001522087346 1021685236 /nfs/dbraw/zinc/68/52/36/1021685236.db2.gz OULZOAAMQVCIRF-UHFFFAOYSA-N 2 1 304.438 -0.210 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001565945071 1024094632 /nfs/dbraw/zinc/09/46/32/1024094632.db2.gz ALLKAXRFHAEYCT-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001565945071 1024094651 /nfs/dbraw/zinc/09/46/51/1024094651.db2.gz ALLKAXRFHAEYCT-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001566720421 1024351157 /nfs/dbraw/zinc/35/11/57/1024351157.db2.gz URBTZGLQBMGHSJ-ZIAGYGMSSA-N 2 1 308.426 -0.133 20 30 DBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001566803601 1024377385 /nfs/dbraw/zinc/37/73/85/1024377385.db2.gz GOSAMCJTPLYYEE-JOCQHMNTSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001566880605 1024405598 /nfs/dbraw/zinc/40/55/98/1024405598.db2.gz ARRIGWNKZVOHJH-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001566880605 1024405605 /nfs/dbraw/zinc/40/56/05/1024405605.db2.gz ARRIGWNKZVOHJH-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001566880605 1024405616 /nfs/dbraw/zinc/40/56/16/1024405616.db2.gz ARRIGWNKZVOHJH-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567017336 1024471380 /nfs/dbraw/zinc/47/13/80/1024471380.db2.gz YYXMANLAQCBILD-ZIAGYGMSSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567025073 1024477421 /nfs/dbraw/zinc/47/74/21/1024477421.db2.gz UDVHISNRAHKXSK-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001567088577 1024515362 /nfs/dbraw/zinc/51/53/62/1024515362.db2.gz PRAQCZICZBVFEZ-HNNXBMFYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153114 1024553675 /nfs/dbraw/zinc/55/36/75/1024553675.db2.gz HVILRXXYMIPBPZ-CHWSQXEVSA-N 2 1 307.398 -0.984 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154301 1024555208 /nfs/dbraw/zinc/55/52/08/1024555208.db2.gz DEQBQBWSEPMVJO-CQSZACIVSA-N 2 1 308.426 -0.486 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001567318853 1024628864 /nfs/dbraw/zinc/62/88/64/1024628864.db2.gz QCMKJDUGOFPMRR-CQSZACIVSA-N 2 1 308.426 -0.083 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001567318853 1024628876 /nfs/dbraw/zinc/62/88/76/1024628876.db2.gz QCMKJDUGOFPMRR-CQSZACIVSA-N 2 1 308.426 -0.083 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001567347436 1024643433 /nfs/dbraw/zinc/64/34/33/1024643433.db2.gz CQELEEZQYPAZQL-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001567347436 1024643436 /nfs/dbraw/zinc/64/34/36/1024643436.db2.gz CQELEEZQYPAZQL-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567347436 1024643450 /nfs/dbraw/zinc/64/34/50/1024643450.db2.gz CQELEEZQYPAZQL-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567347436 1024643467 /nfs/dbraw/zinc/64/34/67/1024643467.db2.gz CQELEEZQYPAZQL-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC[C@@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567709643 1024812228 /nfs/dbraw/zinc/81/22/28/1024812228.db2.gz SMSLSAUXHMKUBE-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567741668 1024817087 /nfs/dbraw/zinc/81/70/87/1024817087.db2.gz HUJFXXKLTAPLMS-HUUCEWRRSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567847714 1024832594 /nfs/dbraw/zinc/83/25/94/1024832594.db2.gz TYJVYGACQCHHLR-OCCSQVGLSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567847715 1024833453 /nfs/dbraw/zinc/83/34/53/1024833453.db2.gz TYJVYGACQCHHLR-TZMCWYRMSA-N 2 1 306.410 -0.876 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001568470104 1024904886 /nfs/dbraw/zinc/90/48/86/1024904886.db2.gz HMFLVOVGJGQZAA-KGLIPLIRSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001568905754 1025075025 /nfs/dbraw/zinc/07/50/25/1025075025.db2.gz DVQDSVLRAUIVKT-LUNKNMTDSA-N 2 1 320.437 -0.272 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001568964242 1025099187 /nfs/dbraw/zinc/09/91/87/1025099187.db2.gz PMUOXKBVQLRNEB-YJQVQVLHSA-N 2 1 320.437 -0.013 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001569069445 1025134293 /nfs/dbraw/zinc/13/42/93/1025134293.db2.gz DJCSIAHGQSCLBN-AAEUAGOBSA-N 2 1 307.398 -0.023 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001569431645 1025248527 /nfs/dbraw/zinc/24/85/27/1025248527.db2.gz XXOOCWPQEBXVGI-UHFFFAOYSA-N 2 1 304.354 -0.930 20 30 DBEDMP CC1(NC(=O)C[NH+]2CCCC2)CC[NH+](CC(=O)NCC#N)CC1 ZINC001569578144 1025280452 /nfs/dbraw/zinc/28/04/52/1025280452.db2.gz DYSOQUNXRLHHOK-UHFFFAOYSA-N 2 1 321.425 -0.307 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163533 1025509756 /nfs/dbraw/zinc/50/97/56/1025509756.db2.gz LBXUZVPLPGEUQO-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163533 1025509766 /nfs/dbraw/zinc/50/97/66/1025509766.db2.gz LBXUZVPLPGEUQO-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570294273 1025567917 /nfs/dbraw/zinc/56/79/17/1025567917.db2.gz RFIBTHNFDNJTMC-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571240196 1025883997 /nfs/dbraw/zinc/88/39/97/1025883997.db2.gz BODKRZRGYMRONK-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP COCC#CC[NH2+]CCC[C@@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571240196 1025883998 /nfs/dbraw/zinc/88/39/98/1025883998.db2.gz BODKRZRGYMRONK-HUUCEWRRSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001571523315 1026060816 /nfs/dbraw/zinc/06/08/16/1026060816.db2.gz RBQPWTLGMCGTQR-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001571523315 1026060833 /nfs/dbraw/zinc/06/08/33/1026060833.db2.gz RBQPWTLGMCGTQR-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[C@@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC001574516845 1026793321 /nfs/dbraw/zinc/79/33/21/1026793321.db2.gz IXHCYFHNWKBGOH-BBRMVZONSA-N 2 1 306.410 -0.412 20 30 DBEDMP C#CCC[NH+]1CCN(C(=O)[C@@H]2CCCN(CC[NH3+])C2=O)CC1 ZINC001574583626 1026796654 /nfs/dbraw/zinc/79/66/54/1026796654.db2.gz JSENJGXDYLXILX-CQSZACIVSA-N 2 1 306.410 -0.649 20 30 DBEDMP CN1CC[NH+]=C1NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000285134074 529778631 /nfs/dbraw/zinc/77/86/31/529778631.db2.gz QULVICZLJUVQNG-UHFFFAOYSA-N 2 1 303.414 -0.120 20 30 DBEDMP C[C@@H]1C[NH+]=C(NCCC[NH+]2CCN(c3ncccn3)CC2)N1 ZINC000285051546 237268481 /nfs/dbraw/zinc/26/84/81/237268481.db2.gz LDQJMAYZDLQSJO-CYBMUJFWSA-N 2 1 303.414 -0.074 20 30 DBEDMP CNC(=O)[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@@H](C)C(=O)NC ZINC000284255292 335010760 /nfs/dbraw/zinc/01/07/60/335010760.db2.gz WMZJQMHBKLJBQG-ZIAGYGMSSA-N 2 1 310.442 -0.382 20 30 DBEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000583564857 378418714 /nfs/dbraw/zinc/41/87/14/378418714.db2.gz IAOUWSDWVYNASX-HZPDHXFCSA-N 2 1 312.458 -0.125 20 30 DBEDMP COCCNC(=[NH2+])NC[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245383 380663404 /nfs/dbraw/zinc/66/34/04/380663404.db2.gz CSAIKXIEYCIRNN-OAHLLOKOSA-N 2 1 306.410 -0.044 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000490831649 392630541 /nfs/dbraw/zinc/63/05/41/392630541.db2.gz WLKBCUJPAADVSL-CABCVRRESA-N 2 1 323.462 -0.030 20 30 DBEDMP C#CCN1CCN(C(=O)CN2CCS[C@H]3COCC[C@H]32)CC1 ZINC000490831649 392630545 /nfs/dbraw/zinc/63/05/45/392630545.db2.gz WLKBCUJPAADVSL-CABCVRRESA-N 2 1 323.462 -0.030 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000490631109 393788868 /nfs/dbraw/zinc/78/88/68/393788868.db2.gz SSPXLKZIBZABQZ-OAHLLOKOSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000491388054 393812609 /nfs/dbraw/zinc/81/26/09/393812609.db2.gz ZWELOJODJLEFPI-CQSZACIVSA-N 2 1 323.441 -0.562 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000491641994 393821996 /nfs/dbraw/zinc/82/19/96/393821996.db2.gz UXTPOFWVMBBYCH-OAHLLOKOSA-N 2 1 307.442 -0.369 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CCO[C@H]2C)CC1 ZINC000491758668 393828929 /nfs/dbraw/zinc/82/89/29/393828929.db2.gz IYCJIDINVJSMBH-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCO[C@H]2C)CC1 ZINC000491758668 393828933 /nfs/dbraw/zinc/82/89/33/393828933.db2.gz IYCJIDINVJSMBH-HOTGVXAUSA-N 2 1 323.437 -0.110 20 30 DBEDMP COC[C@@H]1C[C@@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744695 411918142 /nfs/dbraw/zinc/91/81/42/411918142.db2.gz KZDMFXFGBUAIKP-CAOSSQGBSA-N 2 1 312.410 -0.847 20 30 DBEDMP COC[C@@H]1C[C@@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@H]1COC ZINC000649744695 411918147 /nfs/dbraw/zinc/91/81/47/411918147.db2.gz KZDMFXFGBUAIKP-CAOSSQGBSA-N 2 1 312.410 -0.847 20 30 DBEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582487574 337097817 /nfs/dbraw/zinc/09/78/17/337097817.db2.gz GCPVDTWVBZPKRK-GFCCVEGCSA-N 2 1 310.398 -0.315 20 30 DBEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000582487574 337097818 /nfs/dbraw/zinc/09/78/18/337097818.db2.gz GCPVDTWVBZPKRK-GFCCVEGCSA-N 2 1 310.398 -0.315 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccn[nH]1 ZINC000272441494 529101221 /nfs/dbraw/zinc/10/12/21/529101221.db2.gz UQQQHWLPZHNNEJ-NSHDSACASA-N 2 1 307.402 -0.472 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021049045 663940239 /nfs/dbraw/zinc/94/02/39/663940239.db2.gz GBVFEGKPUNYNPV-ZQDZILKHSA-N 2 1 320.437 -0.038 20 30 DBEDMP CN1CCN(C(=O)CCNC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000328775797 664165741 /nfs/dbraw/zinc/16/57/41/664165741.db2.gz HZXUBYYHJQTMPH-UHFFFAOYSA-N 2 1 311.430 -0.298 20 30 DBEDMP C[NH+]1CCN(C(=O)CCNC(=O)N2CCC[N@@H+](C)CC2)CC1 ZINC000328775797 664165755 /nfs/dbraw/zinc/16/57/55/664165755.db2.gz HZXUBYYHJQTMPH-UHFFFAOYSA-N 2 1 311.430 -0.298 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022220923 664239576 /nfs/dbraw/zinc/23/95/76/664239576.db2.gz UMHQCCQHFKHJNK-ZNMIVQPWSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001022220923 664239585 /nfs/dbraw/zinc/23/95/85/664239585.db2.gz UMHQCCQHFKHJNK-ZNMIVQPWSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798852 665088184 /nfs/dbraw/zinc/08/81/84/665088184.db2.gz LJWSKMZEIHHHIL-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798852 665088185 /nfs/dbraw/zinc/08/81/85/665088185.db2.gz LJWSKMZEIHHHIL-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798852 665088186 /nfs/dbraw/zinc/08/81/86/665088186.db2.gz LJWSKMZEIHHHIL-AALSBFMBSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)NC)C1 ZINC001028601673 670884207 /nfs/dbraw/zinc/88/42/07/670884207.db2.gz SQDAJRJSMCOIQW-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCN(CC(=O)NC)C1 ZINC001028601673 670884209 /nfs/dbraw/zinc/88/42/09/670884209.db2.gz SQDAJRJSMCOIQW-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928557043 671324656 /nfs/dbraw/zinc/32/46/56/671324656.db2.gz YKFGIRMIHXQKMW-XDQVBPFNSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557043 671324657 /nfs/dbraw/zinc/32/46/57/671324657.db2.gz YKFGIRMIHXQKMW-XDQVBPFNSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557043 671324658 /nfs/dbraw/zinc/32/46/58/671324658.db2.gz YKFGIRMIHXQKMW-XDQVBPFNSA-N 2 1 306.410 -0.571 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000994751018 677509540 /nfs/dbraw/zinc/50/95/40/677509540.db2.gz LHXPSHJFMHOKPS-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000994751018 677509542 /nfs/dbraw/zinc/50/95/42/677509542.db2.gz LHXPSHJFMHOKPS-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000994751018 677509544 /nfs/dbraw/zinc/50/95/44/677509544.db2.gz LHXPSHJFMHOKPS-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000994751018 677509546 /nfs/dbraw/zinc/50/95/46/677509546.db2.gz LHXPSHJFMHOKPS-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000994750007 677509810 /nfs/dbraw/zinc/50/98/10/677509810.db2.gz FVPFEUNHGQYZCW-CABCVRRESA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000994750007 677509812 /nfs/dbraw/zinc/50/98/12/677509812.db2.gz FVPFEUNHGQYZCW-CABCVRRESA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000994756995 677510830 /nfs/dbraw/zinc/51/08/30/677510830.db2.gz ZXVKRZGBTKKAJW-HNNXBMFYSA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857077 677638211 /nfs/dbraw/zinc/63/82/11/677638211.db2.gz PYKNRHUZQZXRIT-GULBITTBSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)C1 ZINC000941666427 677839837 /nfs/dbraw/zinc/83/98/37/677839837.db2.gz YQXLXDDVWBHYED-OAHLLOKOSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666427 677839839 /nfs/dbraw/zinc/83/98/39/677839839.db2.gz YQXLXDDVWBHYED-OAHLLOKOSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC2C[NH+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001032207376 678096355 /nfs/dbraw/zinc/09/63/55/678096355.db2.gz OTZIRXIFRHSSPA-HNNXBMFYSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](C)O)CC1 ZINC001032800468 678887128 /nfs/dbraw/zinc/88/71/28/678887128.db2.gz KCXPNPLLSBPPMW-KBMXLJTQSA-N 2 1 305.422 -0.003 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@H+](CC(N)=O)CC2)CC1 ZINC001001468374 678934873 /nfs/dbraw/zinc/93/48/73/678934873.db2.gz QRKYLAFPPSFNFP-UHFFFAOYSA-N 2 1 318.421 -0.435 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC2=CC[N@@H+](CC(N)=O)CC2)CC1 ZINC001001468374 678934876 /nfs/dbraw/zinc/93/48/76/678934876.db2.gz QRKYLAFPPSFNFP-UHFFFAOYSA-N 2 1 318.421 -0.435 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H]1CCNC1=O ZINC001316828456 805997734 /nfs/dbraw/zinc/99/77/34/805997734.db2.gz DUGLCWVVUUYGLQ-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H]1CCNC1=O ZINC001316828456 805997740 /nfs/dbraw/zinc/99/77/40/805997740.db2.gz DUGLCWVVUUYGLQ-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H]1CCNC1=O ZINC001316828456 805997748 /nfs/dbraw/zinc/99/77/48/805997748.db2.gz DUGLCWVVUUYGLQ-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H]1CCNC1=O ZINC001316828456 805997756 /nfs/dbraw/zinc/99/77/56/805997756.db2.gz DUGLCWVVUUYGLQ-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](CC)CC(N)=O)CC1 ZINC001316911008 806028357 /nfs/dbraw/zinc/02/83/57/806028357.db2.gz LNXSWGZIZUTJNM-UHFFFAOYSA-N 2 1 308.426 -0.355 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984470 806060011 /nfs/dbraw/zinc/06/00/11/806060011.db2.gz ASHZKVFWKVGPBR-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984470 806060021 /nfs/dbraw/zinc/06/00/21/806060021.db2.gz ASHZKVFWKVGPBR-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001317030706 806073122 /nfs/dbraw/zinc/07/31/22/806073122.db2.gz WLUQOXHZCJCBCI-UKRRQHHQSA-N 2 1 320.437 -0.438 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317114409 806090255 /nfs/dbraw/zinc/09/02/55/806090255.db2.gz OXRAASLCAZJZLY-BETUJISGSA-N 2 1 305.382 -0.269 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001317113789 806090279 /nfs/dbraw/zinc/09/02/79/806090279.db2.gz RVAQVVSTAISUJQ-BARDWOONSA-N 2 1 309.410 -0.672 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@@H](O)COC)C1 ZINC001317113789 806090287 /nfs/dbraw/zinc/09/02/87/806090287.db2.gz RVAQVVSTAISUJQ-BARDWOONSA-N 2 1 309.410 -0.672 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001317116695 806091649 /nfs/dbraw/zinc/09/16/49/806091649.db2.gz NBIGOLPILCULPH-XDQVBPFNSA-N 2 1 321.425 -0.407 20 30 DBEDMP N#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138035 806095690 /nfs/dbraw/zinc/09/56/90/806095690.db2.gz QWPOQJVLJIZTQI-CQSZACIVSA-N 2 1 321.425 -0.450 20 30 DBEDMP N#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001317138035 806095696 /nfs/dbraw/zinc/09/56/96/806095696.db2.gz QWPOQJVLJIZTQI-CQSZACIVSA-N 2 1 321.425 -0.450 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCCO)C1 ZINC001317327231 806133640 /nfs/dbraw/zinc/13/36/40/806133640.db2.gz UZEJKGGYOPAZNC-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCOCCO)C1 ZINC001317327231 806133645 /nfs/dbraw/zinc/13/36/45/806133645.db2.gz UZEJKGGYOPAZNC-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458297 806155307 /nfs/dbraw/zinc/15/53/07/806155307.db2.gz MUIPLEKJPPWPLU-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458297 806155309 /nfs/dbraw/zinc/15/53/09/806155309.db2.gz MUIPLEKJPPWPLU-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458300 806155505 /nfs/dbraw/zinc/15/55/05/806155505.db2.gz MUIPLEKJPPWPLU-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C1(C[NH+](C)C)CC1 ZINC001317458300 806155514 /nfs/dbraw/zinc/15/55/14/806155514.db2.gz MUIPLEKJPPWPLU-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511932 806173225 /nfs/dbraw/zinc/17/32/25/806173225.db2.gz FCKGDPHCIGNPPA-GOEBONIOSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317511932 806173228 /nfs/dbraw/zinc/17/32/28/806173228.db2.gz FCKGDPHCIGNPPA-GOEBONIOSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317534576 806181116 /nfs/dbraw/zinc/18/11/16/806181116.db2.gz FCTMCSIVVYTMLG-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536211 806181138 /nfs/dbraw/zinc/18/11/38/806181138.db2.gz KLUQWUCDEGDXEK-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[NH+]1CCC(C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)CC1 ZINC001317556384 806185086 /nfs/dbraw/zinc/18/50/86/806185086.db2.gz HCNQKTJAPGTBQN-UHFFFAOYSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CCC(C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)CC1 ZINC001317556384 806185092 /nfs/dbraw/zinc/18/50/92/806185092.db2.gz HCNQKTJAPGTBQN-UHFFFAOYSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001318976821 806336346 /nfs/dbraw/zinc/33/63/46/806336346.db2.gz UQMDGWWGQBQGRO-HDJSIYSDSA-N 2 1 323.441 -0.015 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466545 806382716 /nfs/dbraw/zinc/38/27/16/806382716.db2.gz LYSPHGINLDSXOX-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001320089907 806438267 /nfs/dbraw/zinc/43/82/67/806438267.db2.gz HKUNSAJBOYHKRY-HNNXBMFYSA-N 2 1 322.453 -0.014 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](CC)C(N)=O)CC1 ZINC001320089907 806438271 /nfs/dbraw/zinc/43/82/71/806438271.db2.gz HKUNSAJBOYHKRY-HNNXBMFYSA-N 2 1 322.453 -0.014 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710111 806450058 /nfs/dbraw/zinc/45/00/58/806450058.db2.gz VSZDUPKVTFVWGJ-RVMXOQNASA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710111 806450062 /nfs/dbraw/zinc/45/00/62/806450062.db2.gz VSZDUPKVTFVWGJ-RVMXOQNASA-N 2 1 308.382 -0.456 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](CC)C(N)=O ZINC001320756381 806525295 /nfs/dbraw/zinc/52/52/95/806525295.db2.gz VXQFWKVZYRHZFU-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@H](CC)C(N)=O ZINC001320756381 806525302 /nfs/dbraw/zinc/52/53/02/806525302.db2.gz VXQFWKVZYRHZFU-KGLIPLIRSA-N 2 1 308.426 -0.214 20 30 DBEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321663950 806654408 /nfs/dbraw/zinc/65/44/08/806654408.db2.gz YAKIQGOKLQCODN-KGLIPLIRSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001321842415 806677855 /nfs/dbraw/zinc/67/78/55/806677855.db2.gz QACCUIXZGCLCCF-UONOGXRCSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001321875847 806682312 /nfs/dbraw/zinc/68/23/12/806682312.db2.gz LKQUJRZYDRQOBB-KBPBESRZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803534 806807406 /nfs/dbraw/zinc/80/74/06/806807406.db2.gz WTORDFYFACREMM-QLFBSQMISA-N 2 1 301.394 -0.327 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001323521059 806882969 /nfs/dbraw/zinc/88/29/69/806882969.db2.gz YGILJQNFRFMQDJ-ZDUSSCGKSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277997904 803739986 /nfs/dbraw/zinc/73/99/86/803739986.db2.gz VOZKTAZJOBMOSI-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC001278071199 803750506 /nfs/dbraw/zinc/75/05/06/803750506.db2.gz HQKREDUTHVVCHB-UHFFFAOYSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001278573015 803799817 /nfs/dbraw/zinc/79/98/17/803799817.db2.gz SEEIHIUXAYELQF-KRWDZBQOSA-N 2 1 322.453 -0.094 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CN(S(C)(=O)=O)C1 ZINC000186886131 803825232 /nfs/dbraw/zinc/82/52/32/803825232.db2.gz QUKYRHWFXQCAML-LBPRGKRZSA-N 2 1 317.459 -0.734 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303900151 803835919 /nfs/dbraw/zinc/83/59/19/803835919.db2.gz SBZKTFOEBLOAJC-LLVKDONJSA-N 2 1 305.448 -0.686 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)Cn2cc[nH+]c2C)C1 ZINC001279322428 803877753 /nfs/dbraw/zinc/87/77/53/803877753.db2.gz QEXGGUTZYSESBR-UHFFFAOYSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001279529128 803898892 /nfs/dbraw/zinc/89/88/92/803898892.db2.gz JXPCDTGXVQFHQY-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001279529128 803898898 /nfs/dbraw/zinc/89/88/98/803898898.db2.gz JXPCDTGXVQFHQY-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001279529128 803898905 /nfs/dbraw/zinc/89/89/05/803898905.db2.gz JXPCDTGXVQFHQY-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001279529128 803898913 /nfs/dbraw/zinc/89/89/13/803898913.db2.gz JXPCDTGXVQFHQY-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001281722168 804212538 /nfs/dbraw/zinc/21/25/38/804212538.db2.gz POONLQZSAPFWLC-ZNMIVQPWSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCNC1=O ZINC001281722168 804212548 /nfs/dbraw/zinc/21/25/48/804212548.db2.gz POONLQZSAPFWLC-ZNMIVQPWSA-N 2 1 320.437 -0.153 20 30 DBEDMP CCC[N@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282889187 804328025 /nfs/dbraw/zinc/32/80/25/804328025.db2.gz NYSSPCIGFKFMNM-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001282889187 804328034 /nfs/dbraw/zinc/32/80/34/804328034.db2.gz NYSSPCIGFKFMNM-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282889187 804328043 /nfs/dbraw/zinc/32/80/43/804328043.db2.gz NYSSPCIGFKFMNM-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001282889187 804328052 /nfs/dbraw/zinc/32/80/52/804328052.db2.gz NYSSPCIGFKFMNM-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001283064856 804401284 /nfs/dbraw/zinc/40/12/84/804401284.db2.gz SYWSXWMMPULABM-UHFFFAOYSA-N 2 1 322.453 -0.096 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001283079078 804406803 /nfs/dbraw/zinc/40/68/03/804406803.db2.gz XDTJQXMPOJMMLO-WKILWMFISA-N 2 1 323.437 -0.157 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246096 804667001 /nfs/dbraw/zinc/66/70/01/804667001.db2.gz NACDORQXGAOSAV-ZIAGYGMSSA-N 2 1 323.441 -0.159 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001284415826 804700449 /nfs/dbraw/zinc/70/04/49/804700449.db2.gz FBVXIMJOEBHSCA-QLFBSQMISA-N 2 1 311.426 -0.615 20 30 DBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001284520775 804728534 /nfs/dbraw/zinc/72/85/34/804728534.db2.gz YAYOLAVUUMVTHL-MRXNPFEDSA-N 2 1 305.422 -0.284 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+]3CCN1CCC3)C2 ZINC000884413544 807049491 /nfs/dbraw/zinc/04/94/91/807049491.db2.gz WGIQQFVBEJGCRX-DGNOSDGRSA-N 2 1 317.437 -0.368 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001292413372 805271529 /nfs/dbraw/zinc/27/15/29/805271529.db2.gz UILRQIYATZENQK-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001292413372 805271536 /nfs/dbraw/zinc/27/15/36/805271536.db2.gz UILRQIYATZENQK-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324645552 806994533 /nfs/dbraw/zinc/99/45/33/806994533.db2.gz FEGLPRIAOGTYIU-XJKSGUPXSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001324645551 806995204 /nfs/dbraw/zinc/99/52/04/806995204.db2.gz FEGLPRIAOGTYIU-BBRMVZONSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001325161420 807044007 /nfs/dbraw/zinc/04/40/07/807044007.db2.gz OCHLSBNYLKPWPH-GOEBONIOSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C1 ZINC001325761267 807100773 /nfs/dbraw/zinc/10/07/73/807100773.db2.gz IJXRBSNMTUWNAZ-SOUVJXGZSA-N 2 1 320.437 -0.534 20 30 DBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001327606208 807311010 /nfs/dbraw/zinc/31/10/10/807311010.db2.gz BMYSRJFDYUGHQX-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001327606208 807311018 /nfs/dbraw/zinc/31/10/18/807311018.db2.gz BMYSRJFDYUGHQX-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795370 807468922 /nfs/dbraw/zinc/46/89/22/807468922.db2.gz CBMSLGLOHQCHEG-CQSZACIVSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795370 807468923 /nfs/dbraw/zinc/46/89/23/807468923.db2.gz CBMSLGLOHQCHEG-CQSZACIVSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001330700249 807742592 /nfs/dbraw/zinc/74/25/92/807742592.db2.gz MTLVQGNFDMXVEK-JHJVBQTASA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CCN(C(=O)C(=O)NCC[N@H+](C)C1CC1)C1CC[NH+](C)CC1 ZINC000929711736 807846401 /nfs/dbraw/zinc/84/64/01/807846401.db2.gz IYBUTYPQUQFRAN-UHFFFAOYSA-N 2 1 320.437 -0.247 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001332051680 807866741 /nfs/dbraw/zinc/86/67/41/807866741.db2.gz UCIFQOSHDUAAAS-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)[C@H](O)C1 ZINC000958171502 809793591 /nfs/dbraw/zinc/79/35/91/809793591.db2.gz JREDDMNQPMTYJL-HUUCEWRRSA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468061 809921528 /nfs/dbraw/zinc/92/15/28/809921528.db2.gz RCODHJRXCYHGQN-DZGCQCFKSA-N 2 1 319.409 -0.900 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC000958723898 810011864 /nfs/dbraw/zinc/01/18/64/810011864.db2.gz JZJVQDLCGXQHQM-LSDHHAIUSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC000958723898 810011867 /nfs/dbraw/zinc/01/18/67/810011867.db2.gz JZJVQDLCGXQHQM-LSDHHAIUSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958724372 810013057 /nfs/dbraw/zinc/01/30/57/810013057.db2.gz OFGSIDDPURMXOR-HOTGVXAUSA-N 2 1 303.406 -0.626 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016336912 813652859 /nfs/dbraw/zinc/65/28/59/813652859.db2.gz OKNWKXHSUNUUEB-CABCVRRESA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016336912 813652864 /nfs/dbraw/zinc/65/28/64/813652864.db2.gz OKNWKXHSUNUUEB-CABCVRRESA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001016336609 813653131 /nfs/dbraw/zinc/65/31/31/813653131.db2.gz MQUMGTKHSKRQBL-DZGCQCFKSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001016336609 813653136 /nfs/dbraw/zinc/65/31/36/813653136.db2.gz MQUMGTKHSKRQBL-DZGCQCFKSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001018986061 814037355 /nfs/dbraw/zinc/03/73/55/814037355.db2.gz QEABYCGYEKVEIF-KKUMJFAQSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC001018986061 814037362 /nfs/dbraw/zinc/03/73/62/814037362.db2.gz QEABYCGYEKVEIF-KKUMJFAQSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020250867 814335400 /nfs/dbraw/zinc/33/54/00/814335400.db2.gz VFWLMTOUZKIJJH-SYQHCUMBSA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001020250867 814335408 /nfs/dbraw/zinc/33/54/08/814335408.db2.gz VFWLMTOUZKIJJH-SYQHCUMBSA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001033683118 814571423 /nfs/dbraw/zinc/57/14/23/814571423.db2.gz DVKBALYGNFEGQP-ZFWWWQNUSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001033683118 814571425 /nfs/dbraw/zinc/57/14/25/814571425.db2.gz DVKBALYGNFEGQP-ZFWWWQNUSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034537834 814698114 /nfs/dbraw/zinc/69/81/14/814698114.db2.gz FJJMZFCOOAZXSF-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034537834 814698121 /nfs/dbraw/zinc/69/81/21/814698121.db2.gz FJJMZFCOOAZXSF-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076259 816752739 /nfs/dbraw/zinc/75/27/39/816752739.db2.gz LGFTYWNWHKFFSK-INIZCTEOSA-N 2 1 316.449 -0.066 20 30 DBEDMP C#CCN1C[C@H](O)[C@@H](N(C)C(=O)c2cnccc2N(C)C)C1 ZINC001047600682 817227009 /nfs/dbraw/zinc/22/70/09/817227009.db2.gz VLENLQPSIHXPPF-GJZGRUSLSA-N 2 1 302.378 -0.102 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070310134 820443471 /nfs/dbraw/zinc/44/34/71/820443471.db2.gz PZSUCCSEFCMDKU-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cncn1C ZINC001070719031 820534180 /nfs/dbraw/zinc/53/41/80/820534180.db2.gz PVNYFDQAZZCZDY-RBSFLKMASA-N 2 1 315.421 -0.111 20 30 DBEDMP C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813535 821019779 /nfs/dbraw/zinc/01/97/79/821019779.db2.gz VMRFOFSEMFCQFO-OAHLLOKOSA-N 2 1 315.421 -0.019 20 30 DBEDMP C#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](Cn3cccn3)[NH+](C)C)C2)C1 ZINC001072813535 821019788 /nfs/dbraw/zinc/01/97/88/821019788.db2.gz VMRFOFSEMFCQFO-OAHLLOKOSA-N 2 1 315.421 -0.019 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564022 821165116 /nfs/dbraw/zinc/16/51/16/821165116.db2.gz PCYPRJFQHDAIRS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564022 821165120 /nfs/dbraw/zinc/16/51/20/821165120.db2.gz PCYPRJFQHDAIRS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564022 821165125 /nfs/dbraw/zinc/16/51/25/821165125.db2.gz PCYPRJFQHDAIRS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564022 821165131 /nfs/dbraw/zinc/16/51/31/821165131.db2.gz PCYPRJFQHDAIRS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CCCO)CCCO1 ZINC001073639083 821191694 /nfs/dbraw/zinc/19/16/94/821191694.db2.gz AKDMABDTBLYMRU-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CCCO)CCCO1 ZINC001073639083 821191697 /nfs/dbraw/zinc/19/16/97/821191697.db2.gz AKDMABDTBLYMRU-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073639083 821191701 /nfs/dbraw/zinc/19/17/01/821191701.db2.gz AKDMABDTBLYMRU-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CCCO)CCCO1 ZINC001073639083 821191708 /nfs/dbraw/zinc/19/17/08/821191708.db2.gz AKDMABDTBLYMRU-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001073896630 821267128 /nfs/dbraw/zinc/26/71/28/821267128.db2.gz WPPAEXNVHBUGDD-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001073896630 821267133 /nfs/dbraw/zinc/26/71/33/821267133.db2.gz WPPAEXNVHBUGDD-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896630 821267137 /nfs/dbraw/zinc/26/71/37/821267137.db2.gz WPPAEXNVHBUGDD-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001073896630 821267145 /nfs/dbraw/zinc/26/71/45/821267145.db2.gz WPPAEXNVHBUGDD-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418332 822107235 /nfs/dbraw/zinc/10/72/35/822107235.db2.gz NVJHWTJNWQIFCN-NTTUHNMPSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418332 822107242 /nfs/dbraw/zinc/10/72/42/822107242.db2.gz NVJHWTJNWQIFCN-NTTUHNMPSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418332 822107246 /nfs/dbraw/zinc/10/72/46/822107246.db2.gz NVJHWTJNWQIFCN-NTTUHNMPSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418332 822107250 /nfs/dbraw/zinc/10/72/50/822107250.db2.gz NVJHWTJNWQIFCN-NTTUHNMPSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001077818344 822231605 /nfs/dbraw/zinc/23/16/05/822231605.db2.gz OSJRFNNZBJXKMO-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001078209969 823743373 /nfs/dbraw/zinc/74/33/73/823743373.db2.gz PBCFUDJYEYZOER-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001078209969 823743379 /nfs/dbraw/zinc/74/33/79/823743379.db2.gz PBCFUDJYEYZOER-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209969 823743383 /nfs/dbraw/zinc/74/33/83/823743383.db2.gz PBCFUDJYEYZOER-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001078209969 823743389 /nfs/dbraw/zinc/74/33/89/823743389.db2.gz PBCFUDJYEYZOER-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001078227322 823747039 /nfs/dbraw/zinc/74/70/39/823747039.db2.gz VBFLSIKDJMLJCV-HZPDHXFCSA-N 2 1 303.406 -0.484 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001114057331 828612499 /nfs/dbraw/zinc/61/24/99/828612499.db2.gz KMBCNWDVWWAWSN-SFDCQRBFSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001114057331 828612503 /nfs/dbraw/zinc/61/25/03/828612503.db2.gz KMBCNWDVWWAWSN-SFDCQRBFSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114057331 828612508 /nfs/dbraw/zinc/61/25/08/828612508.db2.gz KMBCNWDVWWAWSN-SFDCQRBFSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001114057331 828612513 /nfs/dbraw/zinc/61/25/13/828612513.db2.gz KMBCNWDVWWAWSN-SFDCQRBFSA-N 2 1 306.410 -0.571 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@H](C)O)C[C@H]2OC)CC1 ZINC001082384338 824433827 /nfs/dbraw/zinc/43/38/27/824433827.db2.gz QIRXDXLZAZLCQT-NUEKZKHPSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C[C@H]1C ZINC001082653707 824454871 /nfs/dbraw/zinc/45/48/71/824454871.db2.gz ZINJGYMAVQSOEH-RJZXRHAOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469396 824640414 /nfs/dbraw/zinc/64/04/14/824640414.db2.gz RHPGNVQUQZIFCG-KGLIPLIRSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001083469396 824640419 /nfs/dbraw/zinc/64/04/19/824640419.db2.gz RHPGNVQUQZIFCG-KGLIPLIRSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566658 824675555 /nfs/dbraw/zinc/67/55/55/824675555.db2.gz VRHMYYDBOALFCC-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566658 824675559 /nfs/dbraw/zinc/67/55/59/824675559.db2.gz VRHMYYDBOALFCC-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566658 824675564 /nfs/dbraw/zinc/67/55/64/824675564.db2.gz VRHMYYDBOALFCC-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001083566658 824675566 /nfs/dbraw/zinc/67/55/66/824675566.db2.gz VRHMYYDBOALFCC-APIJFGDWSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400314 828687471 /nfs/dbraw/zinc/68/74/71/828687471.db2.gz FKAOAJUITSDNRB-NHAGDIPZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1([NH+](C)C)CCC1 ZINC001114400314 828687473 /nfs/dbraw/zinc/68/74/73/828687473.db2.gz FKAOAJUITSDNRB-NHAGDIPZSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851082 824792680 /nfs/dbraw/zinc/79/26/80/824792680.db2.gz MIJYGJWVMWLFBM-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851082 824792684 /nfs/dbraw/zinc/79/26/84/824792684.db2.gz MIJYGJWVMWLFBM-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCCF)C[C@@H]2O)CC1 ZINC001084089999 824888370 /nfs/dbraw/zinc/88/83/70/824888370.db2.gz FRCPOYDKLVESFX-CABCVRRESA-N 2 1 311.401 -0.148 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769270 828740421 /nfs/dbraw/zinc/74/04/21/828740421.db2.gz DPTVEYSVDWEETO-FOLVSLTJSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114769270 828740426 /nfs/dbraw/zinc/74/04/26/828740426.db2.gz DPTVEYSVDWEETO-FOLVSLTJSA-N 2 1 318.421 -0.876 20 30 DBEDMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114775045 828741420 /nfs/dbraw/zinc/74/14/20/828741420.db2.gz ZGGLWENMNFENML-NHAGDIPZSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114775045 828741426 /nfs/dbraw/zinc/74/14/26/828741426.db2.gz ZGGLWENMNFENML-NHAGDIPZSA-N 2 1 319.409 -0.986 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CCC ZINC001115152043 828794151 /nfs/dbraw/zinc/79/41/51/828794151.db2.gz QRGNXBYIILRUFR-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CCC ZINC001115152043 828794153 /nfs/dbraw/zinc/79/41/53/828794153.db2.gz QRGNXBYIILRUFR-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115152043 828794155 /nfs/dbraw/zinc/79/41/55/828794155.db2.gz QRGNXBYIILRUFR-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CCC ZINC001115152043 828794157 /nfs/dbraw/zinc/79/41/57/828794157.db2.gz QRGNXBYIILRUFR-HALDLXJZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC#CC)C[C@H]2O)CC1 ZINC001090830016 825862422 /nfs/dbraw/zinc/86/24/22/825862422.db2.gz HSMYYVQIDHXPRF-IAGOWNOFSA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2O)CC1 ZINC001090830022 825862653 /nfs/dbraw/zinc/86/26/53/825862653.db2.gz HZPFPTMFTCNWMZ-JKSUJKDBSA-N 2 1 323.437 -0.735 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCOC)C[C@@H]2O)CC1 ZINC001090832160 825864786 /nfs/dbraw/zinc/86/47/86/825864786.db2.gz YQKPNAQHDUFIGR-HOTGVXAUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815211 826294039 /nfs/dbraw/zinc/29/40/39/826294039.db2.gz OHYNEUDPMSTUEU-KBPBESRZSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815211 826294043 /nfs/dbraw/zinc/29/40/43/826294043.db2.gz OHYNEUDPMSTUEU-KBPBESRZSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)(COC)CC1 ZINC001162187917 833080603 /nfs/dbraw/zinc/08/06/03/833080603.db2.gz JDVYQIPYZSDXQD-HNNXBMFYSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)(COC)CC1 ZINC001162187917 833080607 /nfs/dbraw/zinc/08/06/07/833080607.db2.gz JDVYQIPYZSDXQD-HNNXBMFYSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892791 826716162 /nfs/dbraw/zinc/71/61/62/826716162.db2.gz PPOKHJZFJYTBDB-HUUCEWRRSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H](O)C1 ZINC001099892791 826716165 /nfs/dbraw/zinc/71/61/65/826716165.db2.gz PPOKHJZFJYTBDB-HUUCEWRRSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553789 833095359 /nfs/dbraw/zinc/09/53/59/833095359.db2.gz AOFWZXXKHMUDJS-WBVHZDCISA-N 2 1 323.437 -0.517 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001274579251 833104124 /nfs/dbraw/zinc/10/41/24/833104124.db2.gz TWMJTUFWFSQGFR-MEWZEZIVSA-N 2 1 308.426 -0.109 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100049283 826796580 /nfs/dbraw/zinc/79/65/80/826796580.db2.gz ZWOYYEAPKNQCTR-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100049283 826796582 /nfs/dbraw/zinc/79/65/82/826796582.db2.gz ZWOYYEAPKNQCTR-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100055980 826801232 /nfs/dbraw/zinc/80/12/32/826801232.db2.gz MLNFNRDHSRFGGJ-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056521 826803159 /nfs/dbraw/zinc/80/31/59/826803159.db2.gz WACIGWDQRVPGEN-GJZGRUSLSA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CC1 ZINC001274588307 833105123 /nfs/dbraw/zinc/10/51/23/833105123.db2.gz IPUQGTABROICLQ-HNNXBMFYSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CC1 ZINC001274588307 833105127 /nfs/dbraw/zinc/10/51/27/833105127.db2.gz IPUQGTABROICLQ-HNNXBMFYSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074419 826826684 /nfs/dbraw/zinc/82/66/84/826826684.db2.gz NHAYENJLWRTISJ-CABCVRRESA-N 2 1 321.421 -0.717 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074419 826826692 /nfs/dbraw/zinc/82/66/92/826826692.db2.gz NHAYENJLWRTISJ-CABCVRRESA-N 2 1 321.421 -0.717 20 30 DBEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001274642127 833114441 /nfs/dbraw/zinc/11/44/41/833114441.db2.gz BRSCUHTVUCRDIZ-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001274642127 833114449 /nfs/dbraw/zinc/11/44/49/833114449.db2.gz BRSCUHTVUCRDIZ-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP C=C[C@](C)(O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616886 833111013 /nfs/dbraw/zinc/11/10/13/833111013.db2.gz QVZJJQHQLFXLQJ-HOTGVXAUSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=C[C@@](C)(O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274616885 833111087 /nfs/dbraw/zinc/11/10/87/833111087.db2.gz QVZJJQHQLFXLQJ-CVEARBPZSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CCC[C@H](O)C[NH+]1CC2(C1)COCC(=O)N2CC[NH+](C)C ZINC001274620996 833111352 /nfs/dbraw/zinc/11/13/52/833111352.db2.gz NQKMIZMHCVUXRG-AWEZNQCLSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110405 826860303 /nfs/dbraw/zinc/86/03/03/826860303.db2.gz VIMAOGQLAIGPHK-GJZGRUSLSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@@H](O)C1 ZINC001100110405 826860316 /nfs/dbraw/zinc/86/03/16/826860316.db2.gz VIMAOGQLAIGPHK-GJZGRUSLSA-N 2 1 322.409 -0.054 20 30 DBEDMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001274642132 833114168 /nfs/dbraw/zinc/11/41/68/833114168.db2.gz BRSCUHTVUCRDIZ-QWHCGFSZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001274642132 833114169 /nfs/dbraw/zinc/11/41/69/833114169.db2.gz BRSCUHTVUCRDIZ-QWHCGFSZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644170 833115005 /nfs/dbraw/zinc/11/50/05/833115005.db2.gz OCUSZQBEAIGAHH-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644170 833115008 /nfs/dbraw/zinc/11/50/08/833115008.db2.gz OCUSZQBEAIGAHH-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162646566 833115723 /nfs/dbraw/zinc/11/57/23/833115723.db2.gz GSGUXPDCZMWFDH-CYBMUJFWSA-N 2 1 307.398 -0.022 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132075 826883818 /nfs/dbraw/zinc/88/38/18/826883818.db2.gz NCDOXLWRZPONCK-CABCVRRESA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132075 826883829 /nfs/dbraw/zinc/88/38/29/826883829.db2.gz NCDOXLWRZPONCK-CABCVRRESA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132075 826883841 /nfs/dbraw/zinc/88/38/41/826883841.db2.gz NCDOXLWRZPONCK-CABCVRRESA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132075 826883855 /nfs/dbraw/zinc/88/38/55/826883855.db2.gz NCDOXLWRZPONCK-CABCVRRESA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132076 826884977 /nfs/dbraw/zinc/88/49/77/826884977.db2.gz NCDOXLWRZPONCK-GJZGRUSLSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C1 ZINC001100132076 826884984 /nfs/dbraw/zinc/88/49/84/826884984.db2.gz NCDOXLWRZPONCK-GJZGRUSLSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132076 826884993 /nfs/dbraw/zinc/88/49/93/826884993.db2.gz NCDOXLWRZPONCK-GJZGRUSLSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C1 ZINC001100132076 826885006 /nfs/dbraw/zinc/88/50/06/826885006.db2.gz NCDOXLWRZPONCK-GJZGRUSLSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001100872961 827039912 /nfs/dbraw/zinc/03/99/12/827039912.db2.gz PMOJPZKVPMPMBK-WLYUNCDWSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CCC[NH+](C)C)[C@H](C)C1 ZINC001102292611 827194828 /nfs/dbraw/zinc/19/48/28/827194828.db2.gz VTZMQVXTYCBBEV-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102376976 827200673 /nfs/dbraw/zinc/20/06/73/827200673.db2.gz HMXKVKZCFUEXPL-MCIONIFRSA-N 2 1 323.441 -0.350 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC001102473925 827212692 /nfs/dbraw/zinc/21/26/92/827212692.db2.gz WQGPWYNMDSXREI-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001275459367 833181093 /nfs/dbraw/zinc/18/10/93/833181093.db2.gz PMABHSXVAOPLPA-LBPRGKRZSA-N 2 1 319.413 -0.850 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275631147 833196373 /nfs/dbraw/zinc/19/63/73/833196373.db2.gz YJILBXCUCZNYQO-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001275631147 833196375 /nfs/dbraw/zinc/19/63/75/833196375.db2.gz YJILBXCUCZNYQO-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001275729436 833204689 /nfs/dbraw/zinc/20/46/89/833204689.db2.gz MIAMRQCJPMUHFH-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001275729436 833204690 /nfs/dbraw/zinc/20/46/90/833204690.db2.gz MIAMRQCJPMUHFH-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCOCCN1CC(CCO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001276100517 833244468 /nfs/dbraw/zinc/24/44/68/833244468.db2.gz CDEFNKQHMWBSHX-CQSZACIVSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566153 828015536 /nfs/dbraw/zinc/01/55/36/828015536.db2.gz FJJNGOWPPDKWML-CQSZACIVSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569243 828017507 /nfs/dbraw/zinc/01/75/07/828017507.db2.gz CMMZZJOUSPMPLE-CYBMUJFWSA-N 2 1 308.426 -0.085 20 30 DBEDMP C[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)CC(C)(C)C ZINC001166744190 833280740 /nfs/dbraw/zinc/28/07/40/833280740.db2.gz LKZZTZGLOZMEBI-UHFFFAOYSA-N 2 1 311.430 -0.300 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001168137471 833318362 /nfs/dbraw/zinc/31/83/62/833318362.db2.gz OAZWFLBRHVRNCD-ZDUSSCGKSA-N 2 1 321.425 -0.546 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127255681 829995682 /nfs/dbraw/zinc/99/56/82/829995682.db2.gz KQTISTTVGNIDRL-ZIAGYGMSSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257008 829997296 /nfs/dbraw/zinc/99/72/96/829997296.db2.gz UVQOOASEXBBHRI-KGLIPLIRSA-N 2 1 306.410 -0.684 20 30 DBEDMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127679241 830023522 /nfs/dbraw/zinc/02/35/22/830023522.db2.gz KLKGSYOCKBZCOR-LBPRGKRZSA-N 2 1 320.397 -0.258 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706155 830024611 /nfs/dbraw/zinc/02/46/11/830024611.db2.gz IXCVERPFCDBHOU-MELADBBJSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129328387 830172267 /nfs/dbraw/zinc/17/22/67/830172267.db2.gz PDIGAKAPTYFOJY-CABCVRRESA-N 2 1 322.453 -0.192 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129341379 830173649 /nfs/dbraw/zinc/17/36/49/830173649.db2.gz TYAQHZGRFJCQBJ-AWEZNQCLSA-N 2 1 310.442 -0.028 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H]1CCC[N@@H+]1C(C)C ZINC001129418965 830181150 /nfs/dbraw/zinc/18/11/50/830181150.db2.gz YZFVRWISISJGOV-CQSZACIVSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460376 830182549 /nfs/dbraw/zinc/18/25/49/830182549.db2.gz LKSUBEAZPMVIKF-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460376 830182556 /nfs/dbraw/zinc/18/25/56/830182556.db2.gz LKSUBEAZPMVIKF-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460376 830182563 /nfs/dbraw/zinc/18/25/63/830182563.db2.gz LKSUBEAZPMVIKF-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](n2ccnn2)C1 ZINC001129460376 830182565 /nfs/dbraw/zinc/18/25/65/830182565.db2.gz LKSUBEAZPMVIKF-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001129770814 830208482 /nfs/dbraw/zinc/20/84/82/830208482.db2.gz LIRGIKCUQPBLDO-CVEARBPZSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCOC[C@H]1CCCO1 ZINC001129770814 830208484 /nfs/dbraw/zinc/20/84/84/830208484.db2.gz LIRGIKCUQPBLDO-CVEARBPZSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001129770644 830209064 /nfs/dbraw/zinc/20/90/64/830209064.db2.gz KKCKQPFVOUQOPT-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H]1CCCN(C)C1=O ZINC001129770644 830209069 /nfs/dbraw/zinc/20/90/69/830209069.db2.gz KKCKQPFVOUQOPT-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001129775328 830209382 /nfs/dbraw/zinc/20/93/82/830209382.db2.gz MFZFWVVWXHANNN-ZDUSSCGKSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(C)(C)C ZINC001129775328 830209385 /nfs/dbraw/zinc/20/93/85/830209385.db2.gz MFZFWVVWXHANNN-ZDUSSCGKSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001129771486 830210311 /nfs/dbraw/zinc/21/03/11/830210311.db2.gz YLCDGQSYNNLZRE-HNNXBMFYSA-N 2 1 318.425 -0.302 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCn1nc(C)nc1C ZINC001129771486 830210315 /nfs/dbraw/zinc/21/03/15/830210315.db2.gz YLCDGQSYNNLZRE-HNNXBMFYSA-N 2 1 318.425 -0.302 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001129790600 830211553 /nfs/dbraw/zinc/21/15/53/830211553.db2.gz CYLWJGWBMIVTBU-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC001129790600 830211562 /nfs/dbraw/zinc/21/15/62/830211562.db2.gz CYLWJGWBMIVTBU-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001129845927 830217894 /nfs/dbraw/zinc/21/78/94/830217894.db2.gz KTUVZELVZXXHNT-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001129918540 830228296 /nfs/dbraw/zinc/22/82/96/830228296.db2.gz CMJVJMNZAPNXGF-KGLIPLIRSA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132737221 830688722 /nfs/dbraw/zinc/68/87/22/830688722.db2.gz JMOWRPLCLBZZTA-AWEZNQCLSA-N 2 1 308.426 -0.436 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@H](C)C2)C1=O ZINC001133845466 830837452 /nfs/dbraw/zinc/83/74/52/830837452.db2.gz GNOKGJFKYBFBKT-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908437 830853159 /nfs/dbraw/zinc/85/31/59/830853159.db2.gz QWFDJFMTHRFXON-CYBMUJFWSA-N 2 1 310.442 -0.192 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146592293 831285894 /nfs/dbraw/zinc/28/58/94/831285894.db2.gz IZRFFDIOIIXJMP-QWHCGFSZSA-N 2 1 311.430 -0.161 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001147876953 831413578 /nfs/dbraw/zinc/41/35/78/831413578.db2.gz AERPFXVBBGODTI-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147885299 831414734 /nfs/dbraw/zinc/41/47/34/831414734.db2.gz LNNNDEWVRRCTRW-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)CN1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148543148 831460279 /nfs/dbraw/zinc/46/02/79/831460279.db2.gz VPCUUFWHMPGGFL-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[N@@H+](C)CC)C2)C1 ZINC001148543148 831460280 /nfs/dbraw/zinc/46/02/80/831460280.db2.gz VPCUUFWHMPGGFL-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)CC[N@H+](C)CC)C2)C1 ZINC001148543148 831460283 /nfs/dbraw/zinc/46/02/83/831460283.db2.gz VPCUUFWHMPGGFL-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148543148 831460284 /nfs/dbraw/zinc/46/02/84/831460284.db2.gz VPCUUFWHMPGGFL-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001148543148 831460287 /nfs/dbraw/zinc/46/02/87/831460287.db2.gz VPCUUFWHMPGGFL-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755253 831472432 /nfs/dbraw/zinc/47/24/32/831472432.db2.gz RGVRLOHBSTZNET-UHFFFAOYSA-N 2 1 318.421 -0.634 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148755253 831472439 /nfs/dbraw/zinc/47/24/39/831472439.db2.gz RGVRLOHBSTZNET-UHFFFAOYSA-N 2 1 318.421 -0.634 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148748799 831473465 /nfs/dbraw/zinc/47/34/65/831473465.db2.gz YBICUXNKABFKCZ-ZDUSSCGKSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148748799 831473468 /nfs/dbraw/zinc/47/34/68/831473468.db2.gz YBICUXNKABFKCZ-ZDUSSCGKSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148748799 831473470 /nfs/dbraw/zinc/47/34/70/831473470.db2.gz YBICUXNKABFKCZ-ZDUSSCGKSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148748799 831473473 /nfs/dbraw/zinc/47/34/73/831473473.db2.gz YBICUXNKABFKCZ-ZDUSSCGKSA-N 2 1 319.409 -0.888 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001151049804 831660641 /nfs/dbraw/zinc/66/06/41/831660641.db2.gz ZIQOAIASXXFGJM-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)Cn2cc[nH+]c2C)C1=O ZINC001151115379 831666203 /nfs/dbraw/zinc/66/62/03/831666203.db2.gz WLYHZWQSBYPQJU-ZDUSSCGKSA-N 2 1 305.382 -0.316 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152458622 831753508 /nfs/dbraw/zinc/75/35/08/831753508.db2.gz RRZIALYABGTWGT-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904185 831906186 /nfs/dbraw/zinc/90/61/86/831906186.db2.gz OFABHQAWADYEMX-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)CCC[NH+](C)C ZINC001154904185 831906193 /nfs/dbraw/zinc/90/61/93/831906193.db2.gz OFABHQAWADYEMX-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898633 831906500 /nfs/dbraw/zinc/90/65/00/831906500.db2.gz QCXHXMVBPQKYRI-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154898633 831906502 /nfs/dbraw/zinc/90/65/02/831906502.db2.gz QCXHXMVBPQKYRI-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255130 831924152 /nfs/dbraw/zinc/92/41/52/831924152.db2.gz KGLXGOMWTFZKTD-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001155255130 831924157 /nfs/dbraw/zinc/92/41/57/831924157.db2.gz KGLXGOMWTFZKTD-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001155255130 831924162 /nfs/dbraw/zinc/92/41/62/831924162.db2.gz KGLXGOMWTFZKTD-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001155255130 831924168 /nfs/dbraw/zinc/92/41/68/831924168.db2.gz KGLXGOMWTFZKTD-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001155791266 831952466 /nfs/dbraw/zinc/95/24/66/831952466.db2.gz UXNYFABCTFAMOS-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)CN(CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193884 831974058 /nfs/dbraw/zinc/97/40/58/831974058.db2.gz KDGWXSZGXWTCSP-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156193884 831974062 /nfs/dbraw/zinc/97/40/62/831974062.db2.gz KDGWXSZGXWTCSP-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156193884 831974063 /nfs/dbraw/zinc/97/40/63/831974063.db2.gz KDGWXSZGXWTCSP-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156193884 831974066 /nfs/dbraw/zinc/97/40/66/831974066.db2.gz KDGWXSZGXWTCSP-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)CC[NH+](C)CC ZINC001156193884 831974069 /nfs/dbraw/zinc/97/40/69/831974069.db2.gz KDGWXSZGXWTCSP-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP CCN(CC(=O)NCC#N)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200003 831974331 /nfs/dbraw/zinc/97/43/31/831974331.db2.gz FSLMTNGTTWXYDL-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)CC[N@@H+](C)CC ZINC001156200003 831974335 /nfs/dbraw/zinc/97/43/35/831974335.db2.gz FSLMTNGTTWXYDL-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)CC[N@H+](C)CC ZINC001156200003 831974337 /nfs/dbraw/zinc/97/43/37/831974337.db2.gz FSLMTNGTTWXYDL-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N ZINC001156200003 831974343 /nfs/dbraw/zinc/97/43/43/831974343.db2.gz FSLMTNGTTWXYDL-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N ZINC001156200003 831974348 /nfs/dbraw/zinc/97/43/48/831974348.db2.gz FSLMTNGTTWXYDL-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039751 832085985 /nfs/dbraw/zinc/08/59/85/832085985.db2.gz UBVZBRAYQONALR-UONOGXRCSA-N 2 1 321.425 -0.404 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486571 832117867 /nfs/dbraw/zinc/11/78/67/832117867.db2.gz OHYHHNPXWCCRIL-UONOGXRCSA-N 2 1 324.425 -0.752 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486572 832117928 /nfs/dbraw/zinc/11/79/28/832117928.db2.gz OHYHHNPXWCCRIL-ZIAGYGMSSA-N 2 1 324.425 -0.752 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185669198 833805986 /nfs/dbraw/zinc/80/59/86/833805986.db2.gz QOWFZQWOBOVZDL-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269296314 832409815 /nfs/dbraw/zinc/40/98/15/832409815.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269296314 832409818 /nfs/dbraw/zinc/40/98/18/832409818.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269296314 832409822 /nfs/dbraw/zinc/40/98/22/832409822.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269296314 832409825 /nfs/dbraw/zinc/40/98/25/832409825.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269296314 832409827 /nfs/dbraw/zinc/40/98/27/832409827.db2.gz LSMGGRSNPWAZFS-UONOGXRCSA-N 2 1 306.410 -0.780 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001270041293 832492221 /nfs/dbraw/zinc/49/22/21/832492221.db2.gz BJGRELZWEQFMNL-MGPQQGTHSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001270697394 832566825 /nfs/dbraw/zinc/56/68/25/832566825.db2.gz HHJYZHCWPOVAGW-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001271076527 832615672 /nfs/dbraw/zinc/61/56/72/832615672.db2.gz TURBCKNOHQBKMB-MJBXVCDLSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001159839363 832850818 /nfs/dbraw/zinc/85/08/18/832850818.db2.gz ZHIMPINYHNKMHI-OAHLLOKOSA-N 2 1 322.453 -0.190 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001160198165 832882675 /nfs/dbraw/zinc/88/26/75/832882675.db2.gz VILXNLHZBKXPIV-ZDUSSCGKSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nncn1C ZINC001160198165 832882684 /nfs/dbraw/zinc/88/26/84/832882684.db2.gz VILXNLHZBKXPIV-ZDUSSCGKSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160867940 832955185 /nfs/dbraw/zinc/95/51/85/832955185.db2.gz IZYXYKMZYNNOLR-LSDHHAIUSA-N 2 1 320.437 -0.151 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)CC[N@H+]1C ZINC001178731378 833521989 /nfs/dbraw/zinc/52/19/89/833521989.db2.gz UBKBSQGHSSCOLN-RQJABVFESA-N 2 1 321.425 -0.455 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)[C@H]1C ZINC001179150557 833537766 /nfs/dbraw/zinc/53/77/66/833537766.db2.gz UZLTUUFCKKHLDR-KBPBESRZSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)[C@H]1C ZINC001179534218 833549611 /nfs/dbraw/zinc/54/96/11/833549611.db2.gz BDSABSYEXZWMAP-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001179925550 833563707 /nfs/dbraw/zinc/56/37/07/833563707.db2.gz QLBIUULUKVHCBZ-ZNMIVQPWSA-N 2 1 320.437 -0.343 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124751 833570476 /nfs/dbraw/zinc/57/04/76/833570476.db2.gz QIXUOGYZSPDSED-MJBXVCDLSA-N 2 1 308.426 -0.181 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)[C@H]1C ZINC001180136276 833570583 /nfs/dbraw/zinc/57/05/83/833570583.db2.gz VKOZJDQZEXFHHJ-JSGCOSHPSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001182472603 833678507 /nfs/dbraw/zinc/67/85/07/833678507.db2.gz GBSPCWYQXQOACL-CABCVRRESA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184962491 833776256 /nfs/dbraw/zinc/77/62/56/833776256.db2.gz ZLWIHCZRPBXAEV-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1CC[C@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001276976511 833916016 /nfs/dbraw/zinc/91/60/16/833916016.db2.gz CFSFVHBMEBXNJH-KGLIPLIRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277216520 833934501 /nfs/dbraw/zinc/93/45/01/833934501.db2.gz DLYLSMNWSQDPLP-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001188138850 833969866 /nfs/dbraw/zinc/96/98/66/833969866.db2.gz FGTSKBZADJDYOQ-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001277883562 834002115 /nfs/dbraw/zinc/00/21/15/834002115.db2.gz KJOWIATXTPEZQO-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277982106 834018735 /nfs/dbraw/zinc/01/87/35/834018735.db2.gz RIEDWXGJEFYIOF-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389918 834073826 /nfs/dbraw/zinc/07/38/26/834073826.db2.gz MERAOLSZEHROBD-STQMWFEESA-N 2 1 307.398 -0.747 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389918 834073835 /nfs/dbraw/zinc/07/38/35/834073835.db2.gz MERAOLSZEHROBD-STQMWFEESA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389918 834073843 /nfs/dbraw/zinc/07/38/43/834073843.db2.gz MERAOLSZEHROBD-STQMWFEESA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389918 834073851 /nfs/dbraw/zinc/07/38/51/834073851.db2.gz MERAOLSZEHROBD-STQMWFEESA-N 2 1 307.398 -0.747 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389141 834074356 /nfs/dbraw/zinc/07/43/56/834074356.db2.gz HOGXVAHCFDKEPH-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389141 834074361 /nfs/dbraw/zinc/07/43/61/834074361.db2.gz HOGXVAHCFDKEPH-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389141 834074371 /nfs/dbraw/zinc/07/43/71/834074371.db2.gz HOGXVAHCFDKEPH-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389141 834074380 /nfs/dbraw/zinc/07/43/80/834074380.db2.gz HOGXVAHCFDKEPH-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039080 834320355 /nfs/dbraw/zinc/32/03/55/834320355.db2.gz VZVZEGKOKJUQBI-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039080 834320364 /nfs/dbraw/zinc/32/03/64/834320364.db2.gz VZVZEGKOKJUQBI-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192190100 834341656 /nfs/dbraw/zinc/34/16/56/834341656.db2.gz LNUNLTJXHUJVKV-DZGCQCFKSA-N 2 1 323.441 -0.255 20 30 DBEDMP CC(C)[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192190100 834341666 /nfs/dbraw/zinc/34/16/66/834341666.db2.gz LNUNLTJXHUJVKV-DZGCQCFKSA-N 2 1 323.441 -0.255 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CN[C@H](C(=O)OC)C1 ZINC001246305485 834429008 /nfs/dbraw/zinc/42/90/08/834429008.db2.gz IAZULTYDVPUZAH-AVGNSLFASA-N 2 1 313.398 -0.294 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CN[C@@H](C(=O)OC)C1 ZINC001246305487 834429137 /nfs/dbraw/zinc/42/91/37/834429137.db2.gz IAZULTYDVPUZAH-RWMBFGLXSA-N 2 1 313.398 -0.294 20 30 DBEDMP COCC#CCN1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193084884 834460949 /nfs/dbraw/zinc/46/09/49/834460949.db2.gz DKSARNSTQXPKMR-KBUPBQIOSA-N 2 1 309.410 -0.862 20 30 DBEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193291201 834481414 /nfs/dbraw/zinc/48/14/14/834481414.db2.gz FWJGETVPFJGEJL-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193291201 834481418 /nfs/dbraw/zinc/48/14/18/834481418.db2.gz FWJGETVPFJGEJL-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193291201 834481421 /nfs/dbraw/zinc/48/14/21/834481421.db2.gz FWJGETVPFJGEJL-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193291201 834481424 /nfs/dbraw/zinc/48/14/24/834481424.db2.gz FWJGETVPFJGEJL-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461239 834498677 /nfs/dbraw/zinc/49/86/77/834498677.db2.gz GWOUWXFPMURDJX-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001193461239 834498684 /nfs/dbraw/zinc/49/86/84/834498684.db2.gz GWOUWXFPMURDJX-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001193461239 834498691 /nfs/dbraw/zinc/49/86/91/834498691.db2.gz GWOUWXFPMURDJX-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001193461239 834498699 /nfs/dbraw/zinc/49/86/99/834498699.db2.gz GWOUWXFPMURDJX-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCOC[C@@H](O)C[NH+]1CCC([NH+]2CCC(C(N)=O)CC2)CC1 ZINC001251854291 834510323 /nfs/dbraw/zinc/51/03/23/834510323.db2.gz ADWSBFGSSMLXGP-INIZCTEOSA-N 2 1 323.437 -0.341 20 30 DBEDMP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193623046 834517113 /nfs/dbraw/zinc/51/71/13/834517113.db2.gz WQYBOQVCTMMZRA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193623046 834517119 /nfs/dbraw/zinc/51/71/19/834517119.db2.gz WQYBOQVCTMMZRA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193623046 834517124 /nfs/dbraw/zinc/51/71/24/834517124.db2.gz WQYBOQVCTMMZRA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP CCC[NH+](C)CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193623046 834517128 /nfs/dbraw/zinc/51/71/28/834517128.db2.gz WQYBOQVCTMMZRA-CYBMUJFWSA-N 2 1 309.414 -0.499 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193765972 834528631 /nfs/dbraw/zinc/52/86/31/834528631.db2.gz LXOZJIVVTGEJRN-ZIAGYGMSSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194075349 834563782 /nfs/dbraw/zinc/56/37/82/834563782.db2.gz MBHVRCXAYYXKAK-ZIAGYGMSSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001194075349 834563788 /nfs/dbraw/zinc/56/37/88/834563788.db2.gz MBHVRCXAYYXKAK-ZIAGYGMSSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194400031 834597003 /nfs/dbraw/zinc/59/70/03/834597003.db2.gz YSFGVKPCHLUUTQ-HUUCEWRRSA-N 2 1 323.437 -0.021 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001194400031 834597009 /nfs/dbraw/zinc/59/70/09/834597009.db2.gz YSFGVKPCHLUUTQ-HUUCEWRRSA-N 2 1 323.437 -0.021 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001195676729 834713625 /nfs/dbraw/zinc/71/36/25/834713625.db2.gz IZNDRIFIHMTHGM-ZIAGYGMSSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001196169085 834762893 /nfs/dbraw/zinc/76/28/93/834762893.db2.gz NURTWGWCNYEZRB-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001196169085 834762898 /nfs/dbraw/zinc/76/28/98/834762898.db2.gz NURTWGWCNYEZRB-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169085 834762899 /nfs/dbraw/zinc/76/28/99/834762899.db2.gz NURTWGWCNYEZRB-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001196169085 834762903 /nfs/dbraw/zinc/76/29/03/834762903.db2.gz NURTWGWCNYEZRB-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001263835577 834988712 /nfs/dbraw/zinc/98/87/12/834988712.db2.gz XWDVYOBAKYKVFP-FZKCQIBNSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001263835577 834988720 /nfs/dbraw/zinc/98/87/20/834988720.db2.gz XWDVYOBAKYKVFP-FZKCQIBNSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001263851521 834991011 /nfs/dbraw/zinc/99/10/11/834991011.db2.gz MEVWSIGHRFJPMX-OKILXGFUSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001264400077 835027466 /nfs/dbraw/zinc/02/74/66/835027466.db2.gz UREXBRUIRKGKMM-ZNMIVQPWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001199827551 835060246 /nfs/dbraw/zinc/06/02/46/835060246.db2.gz ZEFMWEFSCYHPAC-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200180659 835104090 /nfs/dbraw/zinc/10/40/90/835104090.db2.gz AWGIFEALYMHYNI-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200180659 835104094 /nfs/dbraw/zinc/10/40/94/835104094.db2.gz AWGIFEALYMHYNI-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265350473 835133051 /nfs/dbraw/zinc/13/30/51/835133051.db2.gz QOWKHTCSMVPCPY-KGLIPLIRSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265350473 835133054 /nfs/dbraw/zinc/13/30/54/835133054.db2.gz QOWKHTCSMVPCPY-KGLIPLIRSA-N 2 1 324.425 -0.896 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001265446231 835141784 /nfs/dbraw/zinc/14/17/84/835141784.db2.gz BNTQSPPSMDNLOX-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265454051 835143136 /nfs/dbraw/zinc/14/31/36/835143136.db2.gz DOKUKVZABBONFZ-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001265458490 835144086 /nfs/dbraw/zinc/14/40/86/835144086.db2.gz ZOEMRFRVHYJIAR-JSGCOSHPSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265478806 835146281 /nfs/dbraw/zinc/14/62/81/835146281.db2.gz PLSNYVUTAGTBGS-AAVRWANBSA-N 2 1 306.410 -0.687 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001265490695 835147120 /nfs/dbraw/zinc/14/71/20/835147120.db2.gz JPCREYKSJBZNMV-IHRRRGAJSA-N 2 1 306.410 -0.543 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001265492180 835147233 /nfs/dbraw/zinc/14/72/33/835147233.db2.gz NBIGOLPILCULPH-XUXIUFHCSA-N 2 1 321.425 -0.407 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001265494966 835148186 /nfs/dbraw/zinc/14/81/86/835148186.db2.gz XKLCWTSAYZQZDG-IHRRRGAJSA-N 2 1 308.426 -0.133 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786560 835152675 /nfs/dbraw/zinc/15/26/75/835152675.db2.gz GQRXBKMWAANHCR-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200786560 835152679 /nfs/dbraw/zinc/15/26/79/835152679.db2.gz GQRXBKMWAANHCR-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001265558309 835153017 /nfs/dbraw/zinc/15/30/17/835153017.db2.gz UVUAEMSWDNBFGA-LJISPDSOSA-N 2 1 320.437 -0.297 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265577979 835155639 /nfs/dbraw/zinc/15/56/39/835155639.db2.gz QTDPGXWKZUISCX-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001265577979 835155643 /nfs/dbraw/zinc/15/56/43/835155643.db2.gz QTDPGXWKZUISCX-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265577979 835155647 /nfs/dbraw/zinc/15/56/47/835155647.db2.gz QTDPGXWKZUISCX-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265577979 835155652 /nfs/dbraw/zinc/15/56/52/835155652.db2.gz QTDPGXWKZUISCX-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2cnn(C)n2)CC1 ZINC001265870384 835188375 /nfs/dbraw/zinc/18/83/75/835188375.db2.gz OPDXUYBWFXVCMJ-ZDUSSCGKSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638694 835200135 /nfs/dbraw/zinc/20/01/35/835200135.db2.gz CACIUQJLLGGRBK-OAHLLOKOSA-N 2 1 309.410 -0.451 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266037464 835220479 /nfs/dbraw/zinc/22/04/79/835220479.db2.gz SDRMLNTZJKEEIW-KBPBESRZSA-N 2 1 308.426 -0.322 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001266080624 835227687 /nfs/dbraw/zinc/22/76/87/835227687.db2.gz OFQAIRYWDGCQQN-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202114712 835233492 /nfs/dbraw/zinc/23/34/92/835233492.db2.gz ALMKPVKPUCUGJN-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202114712 835233499 /nfs/dbraw/zinc/23/34/99/835233499.db2.gz ALMKPVKPUCUGJN-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202115570 835233953 /nfs/dbraw/zinc/23/39/53/835233953.db2.gz JWDOHKPVMMLPES-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202115570 835233966 /nfs/dbraw/zinc/23/39/66/835233966.db2.gz JWDOHKPVMMLPES-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(N)=O ZINC001266220209 835250256 /nfs/dbraw/zinc/25/02/56/835250256.db2.gz PLSHLQTVZMNVFD-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@@H+]1CC(N)=O ZINC001266220209 835250268 /nfs/dbraw/zinc/25/02/68/835250268.db2.gz PLSHLQTVZMNVFD-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(N)=O ZINC001266220209 835250274 /nfs/dbraw/zinc/25/02/74/835250274.db2.gz PLSHLQTVZMNVFD-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC(N)=O ZINC001266220209 835250282 /nfs/dbraw/zinc/25/02/82/835250282.db2.gz PLSHLQTVZMNVFD-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001202503431 835252198 /nfs/dbraw/zinc/25/21/98/835252198.db2.gz MWKGLHLQNVEVPB-HIFRSBDPSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[NH+]1CCN(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001266285868 835265230 /nfs/dbraw/zinc/26/52/30/835265230.db2.gz QAZYOKZTAKUCKW-INIZCTEOSA-N 2 1 304.438 -0.305 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947530 835273337 /nfs/dbraw/zinc/27/33/37/835273337.db2.gz PWLCBYQPQBEHBR-UHFFFAOYSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CC1 ZINC001266410000 835302065 /nfs/dbraw/zinc/30/20/65/835302065.db2.gz WARLOJXESRTWPJ-BPLDGKMQSA-N 2 1 320.437 -0.440 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203708653 835305880 /nfs/dbraw/zinc/30/58/80/835305880.db2.gz BRRBNLDGYBWTQS-UHFFFAOYSA-N 2 1 318.381 -0.588 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266505124 835321143 /nfs/dbraw/zinc/32/11/43/835321143.db2.gz DCKLLDJFVYZZKK-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266505124 835321152 /nfs/dbraw/zinc/32/11/52/835321152.db2.gz DCKLLDJFVYZZKK-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266505124 835321162 /nfs/dbraw/zinc/32/11/62/835321162.db2.gz DCKLLDJFVYZZKK-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266505124 835321171 /nfs/dbraw/zinc/32/11/71/835321171.db2.gz DCKLLDJFVYZZKK-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001266545002 835333710 /nfs/dbraw/zinc/33/37/10/835333710.db2.gz BAEMEUUWLKWPMV-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NCC#N ZINC001266652043 835352540 /nfs/dbraw/zinc/35/25/40/835352540.db2.gz OTNHBUPKCXZMTG-AGUYFDCRSA-N 2 1 321.425 -0.311 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001266667048 835355499 /nfs/dbraw/zinc/35/54/99/835355499.db2.gz NOHAWNFCMKJYMU-KGLIPLIRSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001266667048 835355505 /nfs/dbraw/zinc/35/55/05/835355505.db2.gz NOHAWNFCMKJYMU-KGLIPLIRSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001266667050 835355651 /nfs/dbraw/zinc/35/56/51/835355651.db2.gz NOHAWNFCMKJYMU-ZIAGYGMSSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001266667050 835355656 /nfs/dbraw/zinc/35/56/56/835355656.db2.gz NOHAWNFCMKJYMU-ZIAGYGMSSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266725326 835369938 /nfs/dbraw/zinc/36/99/38/835369938.db2.gz CZRORLINGDVGKJ-MCIONIFRSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001266778083 835381225 /nfs/dbraw/zinc/38/12/25/835381225.db2.gz HUMJZYHOPIULFN-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770123 835381570 /nfs/dbraw/zinc/38/15/70/835381570.db2.gz OVRSDBAZUZUBCO-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770123 835381582 /nfs/dbraw/zinc/38/15/82/835381582.db2.gz OVRSDBAZUZUBCO-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266770123 835381587 /nfs/dbraw/zinc/38/15/87/835381587.db2.gz OVRSDBAZUZUBCO-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266770123 835381595 /nfs/dbraw/zinc/38/15/95/835381595.db2.gz OVRSDBAZUZUBCO-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266993826 835424069 /nfs/dbraw/zinc/42/40/69/835424069.db2.gz GDLIMPABHQHEIM-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306392 835482665 /nfs/dbraw/zinc/48/26/65/835482665.db2.gz GIIIFPDNCCBFTB-UKRRQHHQSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306392 835482668 /nfs/dbraw/zinc/48/26/68/835482668.db2.gz GIIIFPDNCCBFTB-UKRRQHHQSA-N 2 1 323.441 -0.350 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267571887 835532485 /nfs/dbraw/zinc/53/24/85/835532485.db2.gz UPZANERBGFYHTM-CABCVRRESA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267571887 835532489 /nfs/dbraw/zinc/53/24/89/835532489.db2.gz UPZANERBGFYHTM-CABCVRRESA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267571887 835532492 /nfs/dbraw/zinc/53/24/92/835532492.db2.gz UPZANERBGFYHTM-CABCVRRESA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267594748 835537457 /nfs/dbraw/zinc/53/74/57/835537457.db2.gz BRTCUIOPNBDCHA-CABCVRRESA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267594748 835537465 /nfs/dbraw/zinc/53/74/65/835537465.db2.gz BRTCUIOPNBDCHA-CABCVRRESA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267594748 835537473 /nfs/dbraw/zinc/53/74/73/835537473.db2.gz BRTCUIOPNBDCHA-CABCVRRESA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001267735445 835580599 /nfs/dbraw/zinc/58/05/99/835580599.db2.gz VKGYRPGPOARWDX-JKSUJKDBSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001267754794 835589993 /nfs/dbraw/zinc/58/99/93/835589993.db2.gz VKGYRPGPOARWDX-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267987323 835616295 /nfs/dbraw/zinc/61/62/95/835616295.db2.gz UCKVWMXINABHMS-MGPQQGTHSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001267995085 835617922 /nfs/dbraw/zinc/61/79/22/835617922.db2.gz BTHXRTLWSODDFL-TZMCWYRMSA-N 2 1 319.409 -0.329 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001268138206 835635814 /nfs/dbraw/zinc/63/58/14/835635814.db2.gz AWIVEIXOGVFTFX-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001268233393 835642107 /nfs/dbraw/zinc/64/21/07/835642107.db2.gz SBGZEDOMDFOFRI-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001268233393 835642109 /nfs/dbraw/zinc/64/21/09/835642109.db2.gz SBGZEDOMDFOFRI-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268233393 835642110 /nfs/dbraw/zinc/64/21/10/835642110.db2.gz SBGZEDOMDFOFRI-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268233393 835642112 /nfs/dbraw/zinc/64/21/12/835642112.db2.gz SBGZEDOMDFOFRI-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001268306979 835655417 /nfs/dbraw/zinc/65/54/17/835655417.db2.gz DDMRWTICUARTJZ-GJZGRUSLSA-N 2 1 319.409 -0.916 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1ccnn1C ZINC001268306979 835655418 /nfs/dbraw/zinc/65/54/18/835655418.db2.gz DDMRWTICUARTJZ-GJZGRUSLSA-N 2 1 319.409 -0.916 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268380140 835681659 /nfs/dbraw/zinc/68/16/59/835681659.db2.gz YEYUSYLCMFWAKE-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC ZINC001268552485 835728592 /nfs/dbraw/zinc/72/85/92/835728592.db2.gz MXOCGMUNYVOIGT-GXMNPTEKSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC ZINC001268552485 835728598 /nfs/dbraw/zinc/72/85/98/835728598.db2.gz MXOCGMUNYVOIGT-GXMNPTEKSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001268648648 835765481 /nfs/dbraw/zinc/76/54/81/835765481.db2.gz QJIFRUMFSTZIIT-OCCSQVGLSA-N 2 1 304.398 -0.493 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1cnnn1C ZINC001268648648 835765490 /nfs/dbraw/zinc/76/54/90/835765490.db2.gz QJIFRUMFSTZIIT-OCCSQVGLSA-N 2 1 304.398 -0.493 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001268648271 835765846 /nfs/dbraw/zinc/76/58/46/835765846.db2.gz AMXHYYGLWQFPGQ-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746886 835795385 /nfs/dbraw/zinc/79/53/85/835795385.db2.gz OGPFGQBYAFQRLQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268746886 835795392 /nfs/dbraw/zinc/79/53/92/835795392.db2.gz OGPFGQBYAFQRLQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268746886 835795402 /nfs/dbraw/zinc/79/54/02/835795402.db2.gz OGPFGQBYAFQRLQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268746886 835795418 /nfs/dbraw/zinc/79/54/18/835795418.db2.gz OGPFGQBYAFQRLQ-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746883 835795939 /nfs/dbraw/zinc/79/59/39/835795939.db2.gz OGPFGQBYAFQRLQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268746883 835795950 /nfs/dbraw/zinc/79/59/50/835795950.db2.gz OGPFGQBYAFQRLQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268746883 835795958 /nfs/dbraw/zinc/79/59/58/835795958.db2.gz OGPFGQBYAFQRLQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268746883 835795965 /nfs/dbraw/zinc/79/59/65/835795965.db2.gz OGPFGQBYAFQRLQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001268812110 835813226 /nfs/dbraw/zinc/81/32/26/835813226.db2.gz RFYXHQRSXQFWAD-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385558 1013178933 /nfs/dbraw/zinc/17/89/33/1013178933.db2.gz LPRMYEGJEPPKAL-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385558 1013178941 /nfs/dbraw/zinc/17/89/41/1013178941.db2.gz LPRMYEGJEPPKAL-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001485648002 1013309513 /nfs/dbraw/zinc/30/95/13/1013309513.db2.gz WCOPFAUJNKIUJM-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001485714222 1013333010 /nfs/dbraw/zinc/33/30/10/1013333010.db2.gz CGXKAVVUBGVFKP-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001485819742 1013376010 /nfs/dbraw/zinc/37/60/10/1013376010.db2.gz JJCGAYSHLKZWQN-ZIAGYGMSSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486093324 1013672864 /nfs/dbraw/zinc/67/28/64/1013672864.db2.gz LJCPQDKSADYJNB-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486093323 1013672584 /nfs/dbraw/zinc/67/25/84/1013672584.db2.gz LJCPQDKSADYJNB-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001486251258 1013730089 /nfs/dbraw/zinc/73/00/89/1013730089.db2.gz XZTUBMRXZBCGRN-CYBMUJFWSA-N 2 1 323.441 -0.207 20 30 DBEDMP CC[C@@H](C(=O)N(C)C[C@H](O)C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001486350429 1013826051 /nfs/dbraw/zinc/82/60/51/1013826051.db2.gz ZEEKEBOYOHOJCV-CABCVRRESA-N 2 1 313.442 -0.273 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCN2C[C@H]3C)CC1 ZINC001527802414 1014296650 /nfs/dbraw/zinc/29/66/50/1014296650.db2.gz ACZSUPBUTLTERH-GDBMZVCRSA-N 2 1 304.438 -0.021 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117026 977654585 /nfs/dbraw/zinc/65/45/85/977654585.db2.gz DKVJVYVZZNWGEF-CABCVRRESA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117026 977654586 /nfs/dbraw/zinc/65/45/86/977654586.db2.gz DKVJVYVZZNWGEF-CABCVRRESA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117027 977656807 /nfs/dbraw/zinc/65/68/07/977656807.db2.gz DKVJVYVZZNWGEF-GJZGRUSLSA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117027 977656814 /nfs/dbraw/zinc/65/68/14/977656814.db2.gz DKVJVYVZZNWGEF-GJZGRUSLSA-N 2 1 305.426 -0.320 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550954 978216210 /nfs/dbraw/zinc/21/62/10/978216210.db2.gz OQZAJEUOXZEPGE-XNRPHZJLSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001207550954 978216219 /nfs/dbraw/zinc/21/62/19/978216219.db2.gz OQZAJEUOXZEPGE-XNRPHZJLSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207685147 978232009 /nfs/dbraw/zinc/23/20/09/978232009.db2.gz XLXIMNOIASFTMZ-UONOGXRCSA-N 2 1 306.410 -0.589 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733902 978250495 /nfs/dbraw/zinc/25/04/95/978250495.db2.gz AQCDIYLTUJCPQF-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733902 978250504 /nfs/dbraw/zinc/25/05/04/978250504.db2.gz AQCDIYLTUJCPQF-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515544 978383895 /nfs/dbraw/zinc/38/38/95/978383895.db2.gz SDJZHJJYWONFFV-IIAWOOMASA-N 2 1 322.453 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001208515544 978383903 /nfs/dbraw/zinc/38/39/03/978383903.db2.gz SDJZHJJYWONFFV-IIAWOOMASA-N 2 1 322.453 -0.242 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643633 978468817 /nfs/dbraw/zinc/46/88/17/978468817.db2.gz UOYRONZIMPSNPR-KGLIPLIRSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642112 978469519 /nfs/dbraw/zinc/46/95/19/978469519.db2.gz BFCINZJAXDEBBV-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642112 978469525 /nfs/dbraw/zinc/46/95/25/978469525.db2.gz BFCINZJAXDEBBV-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210276884 978506553 /nfs/dbraw/zinc/50/65/53/978506553.db2.gz MZGXZCQNLJJPHU-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001210276884 978506559 /nfs/dbraw/zinc/50/65/59/978506559.db2.gz MZGXZCQNLJJPHU-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210276884 978506563 /nfs/dbraw/zinc/50/65/63/978506563.db2.gz MZGXZCQNLJJPHU-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001210276884 978506569 /nfs/dbraw/zinc/50/65/69/978506569.db2.gz MZGXZCQNLJJPHU-QLFBSQMISA-N 2 1 320.437 -0.486 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674269 978525910 /nfs/dbraw/zinc/52/59/10/978525910.db2.gz QKWYEYCEKFMHIH-UONOGXRCSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211268265 978562949 /nfs/dbraw/zinc/56/29/49/978562949.db2.gz HMDZGSCOYFYIOR-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388618 978729843 /nfs/dbraw/zinc/72/98/43/978729843.db2.gz DVLVQQKGYSFSML-RBSFLKMASA-N 2 1 309.410 -0.597 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388618 978729848 /nfs/dbraw/zinc/72/98/48/978729848.db2.gz DVLVQQKGYSFSML-RBSFLKMASA-N 2 1 309.410 -0.597 20 30 DBEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214860993 978754028 /nfs/dbraw/zinc/75/40/28/978754028.db2.gz DORWYGKCPBCSBN-TZMCWYRMSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[N@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910928 979043835 /nfs/dbraw/zinc/04/38/35/979043835.db2.gz YGIZYVUYQZJDPS-CABCVRRESA-N 2 1 302.378 -0.298 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](NC(=O)CCN(C)c2cc[nH+]cc2)[C@@H](O)C1 ZINC001219910928 979043841 /nfs/dbraw/zinc/04/38/41/979043841.db2.gz YGIZYVUYQZJDPS-CABCVRRESA-N 2 1 302.378 -0.298 20 30 DBEDMP N=C(NC(=O)C[NH2+]C1CC[NH2+]CC1)c1ccc(C(N)=O)cc1 ZINC001220643577 979253148 /nfs/dbraw/zinc/25/31/48/979253148.db2.gz LADVZLJTRUHILL-UHFFFAOYSA-N 2 1 303.366 -0.641 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCCOC)C[C@@H]2O)CC1 ZINC001221066228 979358533 /nfs/dbraw/zinc/35/85/33/979358533.db2.gz MHNJGFHYERAPNK-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)CCC)CC1 ZINC001225228542 979594600 /nfs/dbraw/zinc/59/46/00/979594600.db2.gz PALNJICAUBIGJY-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346373498 980136194 /nfs/dbraw/zinc/13/61/94/980136194.db2.gz GHIPIXQZNRNAAV-LSDHHAIUSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346373498 980136202 /nfs/dbraw/zinc/13/62/02/980136202.db2.gz GHIPIXQZNRNAAV-LSDHHAIUSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346373498 980136208 /nfs/dbraw/zinc/13/62/08/980136208.db2.gz GHIPIXQZNRNAAV-LSDHHAIUSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001358737470 981180117 /nfs/dbraw/zinc/18/01/17/981180117.db2.gz IWMNCEYQKZEXHO-HNNXBMFYSA-N 2 1 320.437 -0.295 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)CC[NH+](C)C)C1 ZINC001358737470 981180123 /nfs/dbraw/zinc/18/01/23/981180123.db2.gz IWMNCEYQKZEXHO-HNNXBMFYSA-N 2 1 320.437 -0.295 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001530553489 1014735171 /nfs/dbraw/zinc/73/51/71/1014735171.db2.gz TZTDKYYBMZIXAW-CABCVRRESA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001530553489 1014735191 /nfs/dbraw/zinc/73/51/91/1014735191.db2.gz TZTDKYYBMZIXAW-CABCVRRESA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1C ZINC001489304990 1014746505 /nfs/dbraw/zinc/74/65/05/1014746505.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@H]1C ZINC001489304990 1014746514 /nfs/dbraw/zinc/74/65/14/1014746514.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001489304990 1014746522 /nfs/dbraw/zinc/74/65/22/1014746522.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@H]1C ZINC001489304990 1014746527 /nfs/dbraw/zinc/74/65/27/1014746527.db2.gz INZOMOCIYDUDNP-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[NH+](C)C1(C(=O)NCCC[N@H+](C)CC(=O)NCC#N)CCC1 ZINC001490205895 1014892255 /nfs/dbraw/zinc/89/22/55/1014892255.db2.gz PTUQOFJOMCLKMW-UHFFFAOYSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001490270353 1014914589 /nfs/dbraw/zinc/91/45/89/1014914589.db2.gz LSOUNTPVSYIDGA-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001490270353 1014914597 /nfs/dbraw/zinc/91/45/97/1014914597.db2.gz LSOUNTPVSYIDGA-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001490270353 1014914609 /nfs/dbraw/zinc/91/46/09/1014914609.db2.gz LSOUNTPVSYIDGA-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356635 1014942728 /nfs/dbraw/zinc/94/27/28/1014942728.db2.gz JOKPLPZVWLUIKY-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490356635 1014942753 /nfs/dbraw/zinc/94/27/53/1014942753.db2.gz JOKPLPZVWLUIKY-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490356635 1014942764 /nfs/dbraw/zinc/94/27/64/1014942764.db2.gz JOKPLPZVWLUIKY-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001490411213 1014954308 /nfs/dbraw/zinc/95/43/08/1014954308.db2.gz PZBJRXGGTWTBQO-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001491374915 1015380271 /nfs/dbraw/zinc/38/02/71/1015380271.db2.gz YZBJEXXIYWKPGP-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001491374915 1015380290 /nfs/dbraw/zinc/38/02/90/1015380290.db2.gz YZBJEXXIYWKPGP-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001491683788 1015567700 /nfs/dbraw/zinc/56/77/00/1015567700.db2.gz UOCDRMCNRHADKY-GFCCVEGCSA-N 2 1 319.413 -0.850 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]Cc2nnnn2C)CC1 ZINC001491683789 1015569679 /nfs/dbraw/zinc/56/96/79/1015569679.db2.gz UOCDRMCNRHADKY-LBPRGKRZSA-N 2 1 319.413 -0.850 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001491732722 1015597258 /nfs/dbraw/zinc/59/72/58/1015597258.db2.gz JOSMRSXNNVNCSA-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCOCCO)C1 ZINC001491732722 1015597265 /nfs/dbraw/zinc/59/72/65/1015597265.db2.gz JOSMRSXNNVNCSA-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001491811012 1015635073 /nfs/dbraw/zinc/63/50/73/1015635073.db2.gz AHEHVPMEJMXODS-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NCC)C1 ZINC001491811012 1015635079 /nfs/dbraw/zinc/63/50/79/1015635079.db2.gz AHEHVPMEJMXODS-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491958208 1015680387 /nfs/dbraw/zinc/68/03/87/1015680387.db2.gz AWCIQJUGGHVEAS-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491958208 1015680392 /nfs/dbraw/zinc/68/03/92/1015680392.db2.gz AWCIQJUGGHVEAS-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001403880886 995750931 /nfs/dbraw/zinc/75/09/31/995750931.db2.gz YRGLLQYUZVUGAW-CYBMUJFWSA-N 2 1 319.833 -0.130 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001493577770 1015997472 /nfs/dbraw/zinc/99/74/72/1015997472.db2.gz JIMWPSHQXVLKCR-AWEZNQCLSA-N 2 1 304.398 -0.539 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1cnnn1C ZINC001493577770 1015997489 /nfs/dbraw/zinc/99/74/89/1015997489.db2.gz JIMWPSHQXVLKCR-AWEZNQCLSA-N 2 1 304.398 -0.539 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761637 1016416097 /nfs/dbraw/zinc/41/60/97/1016416097.db2.gz UTEKQDQDNJHJIF-KFWWJZLASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001494761637 1016416100 /nfs/dbraw/zinc/41/61/00/1016416100.db2.gz UTEKQDQDNJHJIF-KFWWJZLASA-N 2 1 322.453 -0.099 20 30 DBEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001410777945 1000899502 /nfs/dbraw/zinc/89/95/02/1000899502.db2.gz BWABQNPLMMKMFC-GHMZBOCLSA-N 2 1 320.231 -0.087 20 30 DBEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001410777945 1000899503 /nfs/dbraw/zinc/89/95/03/1000899503.db2.gz BWABQNPLMMKMFC-GHMZBOCLSA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001496058635 1016829326 /nfs/dbraw/zinc/82/93/26/1016829326.db2.gz VGBFVMOWQXTMMT-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001496058635 1016829332 /nfs/dbraw/zinc/82/93/32/1016829332.db2.gz VGBFVMOWQXTMMT-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001496058635 1016829335 /nfs/dbraw/zinc/82/93/35/1016829335.db2.gz VGBFVMOWQXTMMT-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001496058635 1016829345 /nfs/dbraw/zinc/82/93/45/1016829345.db2.gz VGBFVMOWQXTMMT-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001419715397 1004951060 /nfs/dbraw/zinc/95/10/60/1004951060.db2.gz UFAHTGIKMPNGPA-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001479285678 1010235254 /nfs/dbraw/zinc/23/52/54/1010235254.db2.gz TZGUVOXNXCPRAO-MJBXVCDLSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001479301022 1010244437 /nfs/dbraw/zinc/24/44/37/1010244437.db2.gz AUVJKEQPVZYPQQ-ZNMIVQPWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001479301022 1010244451 /nfs/dbraw/zinc/24/44/51/1010244451.db2.gz AUVJKEQPVZYPQQ-ZNMIVQPWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479954876 1010478104 /nfs/dbraw/zinc/47/81/04/1010478104.db2.gz FUYMBTCKLOBGLU-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001479954876 1010478106 /nfs/dbraw/zinc/47/81/06/1010478106.db2.gz FUYMBTCKLOBGLU-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001479954876 1010478114 /nfs/dbraw/zinc/47/81/14/1010478114.db2.gz FUYMBTCKLOBGLU-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001479954876 1010478123 /nfs/dbraw/zinc/47/81/23/1010478123.db2.gz FUYMBTCKLOBGLU-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480112065 1010537799 /nfs/dbraw/zinc/53/77/99/1010537799.db2.gz XVBLZBAEYRQNDV-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001480112065 1010537811 /nfs/dbraw/zinc/53/78/11/1010537811.db2.gz XVBLZBAEYRQNDV-KBPBESRZSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001480351502 1010615729 /nfs/dbraw/zinc/61/57/29/1010615729.db2.gz MDCDLEZHNGUJCD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NC ZINC001480351502 1010615740 /nfs/dbraw/zinc/61/57/40/1010615740.db2.gz MDCDLEZHNGUJCD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480625376 1010721478 /nfs/dbraw/zinc/72/14/78/1010721478.db2.gz PDGAVRULJFEDIS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480625376 1010721485 /nfs/dbraw/zinc/72/14/85/1010721485.db2.gz PDGAVRULJFEDIS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001480742601 1010748047 /nfs/dbraw/zinc/74/80/47/1010748047.db2.gz OHYHUERHTYBQKO-CQSZACIVSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001480742601 1010748057 /nfs/dbraw/zinc/74/80/57/1010748057.db2.gz OHYHUERHTYBQKO-CQSZACIVSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001480742601 1010748062 /nfs/dbraw/zinc/74/80/62/1010748062.db2.gz OHYHUERHTYBQKO-CQSZACIVSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001480742601 1010748068 /nfs/dbraw/zinc/74/80/68/1010748068.db2.gz OHYHUERHTYBQKO-CQSZACIVSA-N 2 1 323.441 -0.111 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480998055 1010825297 /nfs/dbraw/zinc/82/52/97/1010825297.db2.gz QZTPSFCCBKIHQX-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001480998055 1010825298 /nfs/dbraw/zinc/82/52/98/1010825298.db2.gz QZTPSFCCBKIHQX-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481288520 1010882749 /nfs/dbraw/zinc/88/27/49/1010882749.db2.gz ZXOHUMLBLQILOV-UHFFFAOYSA-N 2 1 320.397 -0.306 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CN(CC#CCOC)C2)C1 ZINC001481660624 1010955081 /nfs/dbraw/zinc/95/50/81/1010955081.db2.gz GJKRRIORXNLJJG-OAHLLOKOSA-N 2 1 309.410 -0.595 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481695287 1010967283 /nfs/dbraw/zinc/96/72/83/1010967283.db2.gz OZJVSRGCPODOLO-KBPBESRZSA-N 2 1 320.437 -0.037 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481695287 1010967288 /nfs/dbraw/zinc/96/72/88/1010967288.db2.gz OZJVSRGCPODOLO-KBPBESRZSA-N 2 1 320.437 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481824289 1011008624 /nfs/dbraw/zinc/00/86/24/1011008624.db2.gz SAWNYPHBJKCFDN-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001482058865 1011043587 /nfs/dbraw/zinc/04/35/87/1011043587.db2.gz LPIFQRGXNHTXLM-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCOCCO ZINC001482058865 1011043592 /nfs/dbraw/zinc/04/35/92/1011043592.db2.gz LPIFQRGXNHTXLM-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001482110754 1011056257 /nfs/dbraw/zinc/05/62/57/1011056257.db2.gz VJSGEAANBGOWFR-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001482110754 1011056264 /nfs/dbraw/zinc/05/62/64/1011056264.db2.gz VJSGEAANBGOWFR-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329611 1011120070 /nfs/dbraw/zinc/12/00/70/1011120070.db2.gz CRDYJKPLIIPJPT-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482391462 1011139710 /nfs/dbraw/zinc/13/97/10/1011139710.db2.gz SMGFSXSJNPOPCI-ZIAGYGMSSA-N 2 1 323.441 -0.159 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483010712 1011596667 /nfs/dbraw/zinc/59/66/67/1011596667.db2.gz MUZPEXWIMXYGPB-RDFMZFSFSA-N 2 1 321.425 -0.239 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046930 1011637664 /nfs/dbraw/zinc/63/76/64/1011637664.db2.gz JCWPYIDVAQCODY-WJNHHXLDSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001483046918 1011639828 /nfs/dbraw/zinc/63/98/28/1011639828.db2.gz JCWPYIDVAQCODY-BEWKBBBFSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001483127427 1011707034 /nfs/dbraw/zinc/70/70/34/1011707034.db2.gz QACCUIXZGCLCCF-ZIAGYGMSSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483466802 1011882598 /nfs/dbraw/zinc/88/25/98/1011882598.db2.gz PZWPJVLHQVLXQP-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N(C)CCC[NH2+]CC(=O)NCC#N ZINC001483510830 1011894165 /nfs/dbraw/zinc/89/41/65/1011894165.db2.gz VAFZYQHFEONFST-UHFFFAOYSA-N 2 1 306.370 -0.731 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001483933872 1012218626 /nfs/dbraw/zinc/21/86/26/1012218626.db2.gz CTMYYQHAIUKWHD-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484045871 1012274275 /nfs/dbraw/zinc/27/42/75/1012274275.db2.gz XZHXAXGUONNDKY-CKEIUWERSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484045871 1012274294 /nfs/dbraw/zinc/27/42/94/1012274294.db2.gz XZHXAXGUONNDKY-CKEIUWERSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045871 1012274306 /nfs/dbraw/zinc/27/43/06/1012274306.db2.gz XZHXAXGUONNDKY-CKEIUWERSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045871 1012274323 /nfs/dbraw/zinc/27/43/23/1012274323.db2.gz XZHXAXGUONNDKY-CKEIUWERSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001484191475 1012345568 /nfs/dbraw/zinc/34/55/68/1012345568.db2.gz SBMAXLCYYCPVBV-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001484191475 1012345582 /nfs/dbraw/zinc/34/55/82/1012345582.db2.gz SBMAXLCYYCPVBV-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001484415207 1012616160 /nfs/dbraw/zinc/61/61/60/1012616160.db2.gz SDFZTEQIMOYQFT-GASCZTMLSA-N 2 1 318.421 -0.778 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001484532834 1012761326 /nfs/dbraw/zinc/76/13/26/1012761326.db2.gz OFIMJSPKWLFDQU-UONOGXRCSA-N 2 1 321.425 -0.451 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCC1 ZINC001484628961 1012806599 /nfs/dbraw/zinc/80/65/99/1012806599.db2.gz YRKNIMUBOMBSCX-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCC1 ZINC001484628961 1012806604 /nfs/dbraw/zinc/80/66/04/1012806604.db2.gz YRKNIMUBOMBSCX-AWEZNQCLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001485041594 1012959325 /nfs/dbraw/zinc/95/93/25/1012959325.db2.gz XNZYKQRDAIOXNO-KBPBESRZSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001497825051 1017515334 /nfs/dbraw/zinc/51/53/34/1017515334.db2.gz HJLKAQDPJRVWOV-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@@H+](C)C1CCC1 ZINC001497829787 1017515785 /nfs/dbraw/zinc/51/57/85/1017515785.db2.gz QTAWSUYICVYHMP-OLZOCXBDSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427860 1017800988 /nfs/dbraw/zinc/80/09/88/1017800988.db2.gz IUIJMNHXJPZMQQ-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427860 1017800991 /nfs/dbraw/zinc/80/09/91/1017800991.db2.gz IUIJMNHXJPZMQQ-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427853 1017801881 /nfs/dbraw/zinc/80/18/81/1017801881.db2.gz IUIJMNHXJPZMQQ-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C12CC[NH+](CC1)C2 ZINC001498427853 1017801883 /nfs/dbraw/zinc/80/18/83/1017801883.db2.gz IUIJMNHXJPZMQQ-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001498682201 1017848919 /nfs/dbraw/zinc/84/89/19/1017848919.db2.gz JFKNKWVULJYIBY-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001498682201 1017848920 /nfs/dbraw/zinc/84/89/20/1017848920.db2.gz JFKNKWVULJYIBY-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001499243446 1018039456 /nfs/dbraw/zinc/03/94/56/1018039456.db2.gz HCYGWSOKVAOHRE-AWEZNQCLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C=CCC[NH+]1CC(O)(CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001500837151 1018486227 /nfs/dbraw/zinc/48/62/27/1018486227.db2.gz JZISDTOJVCDEKA-UHFFFAOYSA-N 2 1 321.425 -0.203 20 30 DBEDMP CN1CCO[C@H](C(=O)NCCN2CCC(NCC#N)CC2)C1 ZINC001501251894 1018611834 /nfs/dbraw/zinc/61/18/34/1018611834.db2.gz XXJCXRNDDGLTLK-AWEZNQCLSA-N 2 1 309.414 -0.989 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001501493133 1018800021 /nfs/dbraw/zinc/80/00/21/1018800021.db2.gz RQEHOGLQVQYBCG-HNNXBMFYSA-N 2 1 311.426 -0.612 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022967 1019233234 /nfs/dbraw/zinc/23/32/34/1019233234.db2.gz IGZWSRZCPSWFAO-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022967 1019233244 /nfs/dbraw/zinc/23/32/44/1019233244.db2.gz IGZWSRZCPSWFAO-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022967 1019233246 /nfs/dbraw/zinc/23/32/46/1019233246.db2.gz IGZWSRZCPSWFAO-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022967 1019233258 /nfs/dbraw/zinc/23/32/58/1019233258.db2.gz IGZWSRZCPSWFAO-ZIAGYGMSSA-N 2 1 323.441 -0.065 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC(=O)NCC#N ZINC001505444171 1019310692 /nfs/dbraw/zinc/31/06/92/1019310692.db2.gz YYIVNDPTJVVCRS-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@@H+](C)CC(=O)NCC#N ZINC001505444171 1019310708 /nfs/dbraw/zinc/31/07/08/1019310708.db2.gz YYIVNDPTJVVCRS-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NCC#N ZINC001505444172 1019312161 /nfs/dbraw/zinc/31/21/61/1019312161.db2.gz YYIVNDPTJVVCRS-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NCC#N ZINC001505444172 1019312176 /nfs/dbraw/zinc/31/21/76/1019312176.db2.gz YYIVNDPTJVVCRS-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NCCNC(=O)CC[N@H+](C)CC ZINC001575416540 1019567206 /nfs/dbraw/zinc/56/72/06/1019567206.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)CC[N@@H+](C)CC ZINC001575416540 1019567226 /nfs/dbraw/zinc/56/72/26/1019567226.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)CC[N@H+](C)CC ZINC001575416540 1019567240 /nfs/dbraw/zinc/56/72/40/1019567240.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)CC[NH+](C)CC ZINC001575416540 1019567252 /nfs/dbraw/zinc/56/72/52/1019567252.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)CC[NH+](C)CC ZINC001575416540 1019567267 /nfs/dbraw/zinc/56/72/67/1019567267.db2.gz XDRMCTPRZPPGAD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)CC(=O)NCC#N ZINC001505936083 1019610968 /nfs/dbraw/zinc/61/09/68/1019610968.db2.gz USOLLDOJOMGAMF-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)CC(=O)NCC#N ZINC001505936083 1019610978 /nfs/dbraw/zinc/61/09/78/1019610978.db2.gz USOLLDOJOMGAMF-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)CC(=O)NCC#N ZINC001505936083 1019610986 /nfs/dbraw/zinc/61/09/86/1019610986.db2.gz USOLLDOJOMGAMF-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)CC(=O)NCC#N ZINC001505936083 1019610997 /nfs/dbraw/zinc/61/09/97/1019610997.db2.gz USOLLDOJOMGAMF-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061395 1019697664 /nfs/dbraw/zinc/69/76/64/1019697664.db2.gz UNRMBLOASIHSKJ-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061395 1019697667 /nfs/dbraw/zinc/69/76/67/1019697667.db2.gz UNRMBLOASIHSKJ-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC#CCOC)C1 ZINC001506061395 1019697676 /nfs/dbraw/zinc/69/76/76/1019697676.db2.gz UNRMBLOASIHSKJ-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC#CCOC)C1 ZINC001506061395 1019697682 /nfs/dbraw/zinc/69/76/82/1019697682.db2.gz UNRMBLOASIHSKJ-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506796756 1019931525 /nfs/dbraw/zinc/93/15/25/1019931525.db2.gz RZBZMKOOEJJRMI-APIJFGDWSA-N 2 1 322.453 -0.077 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001506921108 1019997891 /nfs/dbraw/zinc/99/78/91/1019997891.db2.gz DXNWPLXQJJIIQI-BFHYXJOUSA-N 2 1 323.441 -0.159 20 30 DBEDMP CN(CCC#N)C(=O)CC[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC001578461007 1020243042 /nfs/dbraw/zinc/24/30/42/1020243042.db2.gz FHSOTCIOMXXLMP-CYBMUJFWSA-N 2 1 309.414 -0.465 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001526715721 1022549542 /nfs/dbraw/zinc/54/95/42/1022549542.db2.gz HKACOKGTXXBTLM-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001526715721 1022549562 /nfs/dbraw/zinc/54/95/62/1022549562.db2.gz HKACOKGTXXBTLM-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC001565497687 1024055541 /nfs/dbraw/zinc/05/55/41/1024055541.db2.gz WVSRZXCUIQDLJG-HNNXBMFYSA-N 2 1 308.426 -0.208 20 30 DBEDMP C#CC[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001565815151 1024068062 /nfs/dbraw/zinc/06/80/62/1024068062.db2.gz XRMQWTABQUZZPL-OAHLLOKOSA-N 2 1 320.437 -0.436 20 30 DBEDMP C#CC[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001565815151 1024068079 /nfs/dbraw/zinc/06/80/79/1024068079.db2.gz XRMQWTABQUZZPL-OAHLLOKOSA-N 2 1 320.437 -0.436 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001566453222 1024178423 /nfs/dbraw/zinc/17/84/23/1024178423.db2.gz GNGUCMNEUPUUGP-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001566453222 1024178445 /nfs/dbraw/zinc/17/84/45/1024178445.db2.gz GNGUCMNEUPUUGP-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001566453222 1024178467 /nfs/dbraw/zinc/17/84/67/1024178467.db2.gz GNGUCMNEUPUUGP-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001566778897 1024367831 /nfs/dbraw/zinc/36/78/31/1024367831.db2.gz FGTSKBZADJDYOQ-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001566877138 1024401372 /nfs/dbraw/zinc/40/13/72/1024401372.db2.gz QTDGJJDMDAOISI-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001566939443 1024431085 /nfs/dbraw/zinc/43/10/85/1024431085.db2.gz AVJGCSUSGJRINU-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(N)=O ZINC001566939443 1024431099 /nfs/dbraw/zinc/43/10/99/1024431099.db2.gz AVJGCSUSGJRINU-KBPBESRZSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001567022676 1024468547 /nfs/dbraw/zinc/46/85/47/1024468547.db2.gz NIBAMUPIBUXZAL-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC1CC1 ZINC001567022676 1024468556 /nfs/dbraw/zinc/46/85/56/1024468556.db2.gz NIBAMUPIBUXZAL-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567017333 1024469850 /nfs/dbraw/zinc/46/98/50/1024469850.db2.gz YYXMANLAQCBILD-KBPBESRZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001567025075 1024475098 /nfs/dbraw/zinc/47/50/98/1024475098.db2.gz UDVHISNRAHKXSK-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001567035683 1024482322 /nfs/dbraw/zinc/48/23/22/1024482322.db2.gz DZFLZUPTGIKRJL-AAEUAGOBSA-N 2 1 305.382 -0.576 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]Cc2nncn2C)CC1 ZINC001567082867 1024507976 /nfs/dbraw/zinc/50/79/76/1024507976.db2.gz YESBNYGNOMJJAF-CYBMUJFWSA-N 2 1 318.425 -0.245 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567145474 1024545922 /nfs/dbraw/zinc/54/59/22/1024545922.db2.gz RUSUCAHWKKPWBH-MRXNPFEDSA-N 2 1 323.437 -0.203 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001567275113 1024597655 /nfs/dbraw/zinc/59/76/55/1024597655.db2.gz VIVRDUNUPZOZLA-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001567275113 1024597681 /nfs/dbraw/zinc/59/76/81/1024597681.db2.gz VIVRDUNUPZOZLA-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001567275113 1024597709 /nfs/dbraw/zinc/59/77/09/1024597709.db2.gz VIVRDUNUPZOZLA-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001567275113 1024597737 /nfs/dbraw/zinc/59/77/37/1024597737.db2.gz VIVRDUNUPZOZLA-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001567319005 1024628345 /nfs/dbraw/zinc/62/83/45/1024628345.db2.gz WBTPGLQPUDXUNS-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001567319005 1024628353 /nfs/dbraw/zinc/62/83/53/1024628353.db2.gz WBTPGLQPUDXUNS-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001567319005 1024628358 /nfs/dbraw/zinc/62/83/58/1024628358.db2.gz WBTPGLQPUDXUNS-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001567319005 1024628371 /nfs/dbraw/zinc/62/83/71/1024628371.db2.gz WBTPGLQPUDXUNS-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001567324193 1024630368 /nfs/dbraw/zinc/63/03/68/1024630368.db2.gz DYMXPKYJRPLBHX-CQSZACIVSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001567324193 1024630384 /nfs/dbraw/zinc/63/03/84/1024630384.db2.gz DYMXPKYJRPLBHX-CQSZACIVSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001567404409 1024670302 /nfs/dbraw/zinc/67/03/02/1024670302.db2.gz XHULRMCFRQTQHY-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001567404409 1024670314 /nfs/dbraw/zinc/67/03/14/1024670314.db2.gz XHULRMCFRQTQHY-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567404409 1024670315 /nfs/dbraw/zinc/67/03/15/1024670315.db2.gz XHULRMCFRQTQHY-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567404409 1024670320 /nfs/dbraw/zinc/67/03/20/1024670320.db2.gz XHULRMCFRQTQHY-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001567414618 1024677176 /nfs/dbraw/zinc/67/71/76/1024677176.db2.gz JHZBRPVVVMPGIG-INIZCTEOSA-N 2 1 323.437 -0.203 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001567414618 1024677184 /nfs/dbraw/zinc/67/71/84/1024677184.db2.gz JHZBRPVVVMPGIG-INIZCTEOSA-N 2 1 323.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001567510996 1024754036 /nfs/dbraw/zinc/75/40/36/1024754036.db2.gz NCLHVHNTOSYYJP-GJZGRUSLSA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001567510996 1024754056 /nfs/dbraw/zinc/75/40/56/1024754056.db2.gz NCLHVHNTOSYYJP-GJZGRUSLSA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567737383 1024816748 /nfs/dbraw/zinc/81/67/48/1024816748.db2.gz ZROMDHHHYNNPSR-CQSZACIVSA-N 2 1 308.426 -0.532 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001567847713 1024832874 /nfs/dbraw/zinc/83/28/74/1024832874.db2.gz TYJVYGACQCHHLR-JSGCOSHPSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001567847712 1024833216 /nfs/dbraw/zinc/83/32/16/1024833216.db2.gz TYJVYGACQCHHLR-GXTWGEPZSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001567945599 1024849355 /nfs/dbraw/zinc/84/93/55/1024849355.db2.gz RXTONDSSXUACRJ-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001567945599 1024849356 /nfs/dbraw/zinc/84/93/56/1024849356.db2.gz RXTONDSSXUACRJ-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001567945599 1024849358 /nfs/dbraw/zinc/84/93/58/1024849358.db2.gz RXTONDSSXUACRJ-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567945599 1024849359 /nfs/dbraw/zinc/84/93/59/1024849359.db2.gz RXTONDSSXUACRJ-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568176051 1024869946 /nfs/dbraw/zinc/86/99/46/1024869946.db2.gz BTKLBRODTZUJDQ-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568176051 1024869948 /nfs/dbraw/zinc/86/99/48/1024869948.db2.gz BTKLBRODTZUJDQ-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568176052 1024870301 /nfs/dbraw/zinc/87/03/01/1024870301.db2.gz BTKLBRODTZUJDQ-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N(C)CC ZINC001568176052 1024870306 /nfs/dbraw/zinc/87/03/06/1024870306.db2.gz BTKLBRODTZUJDQ-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273425 1024885726 /nfs/dbraw/zinc/88/57/26/1024885726.db2.gz LEGJYOKHEMSMPH-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001569037147 1025122768 /nfs/dbraw/zinc/12/27/68/1025122768.db2.gz ZBNBZYRSQZHBAS-NEPJUHHUSA-N 2 1 305.382 -0.576 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC001569750902 1025324087 /nfs/dbraw/zinc/32/40/87/1025324087.db2.gz GDKXBYWDRXFGJH-KRWDZBQOSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569757124 1025339778 /nfs/dbraw/zinc/33/97/78/1025339778.db2.gz BBFWISITTSCFCD-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569757124 1025339779 /nfs/dbraw/zinc/33/97/79/1025339779.db2.gz BBFWISITTSCFCD-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001569757124 1025339780 /nfs/dbraw/zinc/33/97/80/1025339780.db2.gz BBFWISITTSCFCD-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001569763659 1025343187 /nfs/dbraw/zinc/34/31/87/1025343187.db2.gz SRSFNQZCUDFPNZ-INIZCTEOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@@H]1CCNC1=O ZINC001570199034 1025524673 /nfs/dbraw/zinc/52/46/73/1025524673.db2.gz VHDPPPSVXJIHRR-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001570199034 1025524685 /nfs/dbraw/zinc/52/46/85/1025524685.db2.gz VHDPPPSVXJIHRR-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001570199034 1025524724 /nfs/dbraw/zinc/52/47/24/1025524724.db2.gz VHDPPPSVXJIHRR-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@@H]1CCNC1=O ZINC001570199034 1025524747 /nfs/dbraw/zinc/52/47/47/1025524747.db2.gz VHDPPPSVXJIHRR-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545259 1025656212 /nfs/dbraw/zinc/65/62/12/1025656212.db2.gz OOFNYLUJJDASKV-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545259 1025656254 /nfs/dbraw/zinc/65/62/54/1025656254.db2.gz OOFNYLUJJDASKV-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570545259 1025656297 /nfs/dbraw/zinc/65/62/97/1025656297.db2.gz OOFNYLUJJDASKV-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570545259 1025656328 /nfs/dbraw/zinc/65/63/28/1025656328.db2.gz OOFNYLUJJDASKV-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001570951705 1025802743 /nfs/dbraw/zinc/80/27/43/1025802743.db2.gz AHLWTGRSLZRUKD-ZSOGYDGISA-N 2 1 308.426 -0.466 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](C)C[NH+]3CCOCC3)[C@@H]2C1 ZINC001570962164 1025803580 /nfs/dbraw/zinc/80/35/80/1025803580.db2.gz WQLWBBFEQIFSHD-FPCVCCKLSA-N 2 1 305.422 -0.118 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001571130396 1025851505 /nfs/dbraw/zinc/85/15/05/1025851505.db2.gz YNVJKDXOYYZNNR-MGPQQGTHSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001571392607 1025922994 /nfs/dbraw/zinc/92/29/94/1025922994.db2.gz AEVUCEFCMIDFMC-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001571392960 1025927467 /nfs/dbraw/zinc/92/74/67/1025927467.db2.gz GYWZFMTZXOILHZ-QWHCGFSZSA-N 2 1 309.414 -0.453 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001571608769 1026122396 /nfs/dbraw/zinc/12/23/96/1026122396.db2.gz OXKSERVLEWVNOC-GJZGRUSLSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001571608769 1026122402 /nfs/dbraw/zinc/12/24/02/1026122402.db2.gz OXKSERVLEWVNOC-GJZGRUSLSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001571608769 1026122412 /nfs/dbraw/zinc/12/24/12/1026122412.db2.gz OXKSERVLEWVNOC-GJZGRUSLSA-N 2 1 311.426 -0.661 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637920 1026131899 /nfs/dbraw/zinc/13/18/99/1026131899.db2.gz GRIJMDHAQRJGEK-OLZOCXBDSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[N@@H+](C)C[C@@H](C(=O)OC)C2)CC1 ZINC000491811398 380990610 /nfs/dbraw/zinc/99/06/10/380990610.db2.gz CUBYJHDIZOPERA-OAHLLOKOSA-N 2 1 321.421 -0.105 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262303883 381625818 /nfs/dbraw/zinc/62/58/18/381625818.db2.gz OWNWLUNZCNINIV-KGLIPLIRSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000490831651 392631063 /nfs/dbraw/zinc/63/10/63/392631063.db2.gz WLKBCUJPAADVSL-HUUCEWRRSA-N 2 1 323.462 -0.030 20 30 DBEDMP C#CCN1CCN(C(=O)CN2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000490831651 392631065 /nfs/dbraw/zinc/63/10/65/392631065.db2.gz WLKBCUJPAADVSL-HUUCEWRRSA-N 2 1 323.462 -0.030 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)[C@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000341923235 392987567 /nfs/dbraw/zinc/98/75/67/392987567.db2.gz PCQWZDZDBHVTQP-HOTGVXAUSA-N 2 1 312.410 -0.844 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)[C@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000341923248 392987867 /nfs/dbraw/zinc/98/78/67/392987867.db2.gz PCQWZDZDBHVTQP-IYBDPMFKSA-N 2 1 312.410 -0.844 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000341923248 392987869 /nfs/dbraw/zinc/98/78/69/392987869.db2.gz PCQWZDZDBHVTQP-IYBDPMFKSA-N 2 1 312.410 -0.844 20 30 DBEDMP C[NH+](CC#CC[N@@H+](C)[C@@]1(CO)CCOC1)[C@]1(CO)CCOC1 ZINC000341923248 392987874 /nfs/dbraw/zinc/98/78/74/392987874.db2.gz PCQWZDZDBHVTQP-IYBDPMFKSA-N 2 1 312.410 -0.844 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000491651650 393822116 /nfs/dbraw/zinc/82/21/16/393822116.db2.gz IAECUVDVTWGCFE-HNNXBMFYSA-N 2 1 307.442 -0.369 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@H]2C)CC1 ZINC000491753710 393828557 /nfs/dbraw/zinc/82/85/57/393828557.db2.gz PGWJAIGHBJOPTO-LSDHHAIUSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@H]2C)CC1 ZINC000491753710 393828565 /nfs/dbraw/zinc/82/85/65/393828565.db2.gz PGWJAIGHBJOPTO-LSDHHAIUSA-N 2 1 309.410 -0.765 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NCC#CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC000681339911 544970780 /nfs/dbraw/zinc/97/07/80/544970780.db2.gz UMRUPSFEAXWHSV-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[NH+]=C(NCc1nncn1C)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261728678 275409496 /nfs/dbraw/zinc/40/94/96/275409496.db2.gz LIJXUWDZJXZRRG-CYBMUJFWSA-N 2 1 321.429 -0.455 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000293914842 335115665 /nfs/dbraw/zinc/11/56/65/335115665.db2.gz GJEPPANXQNWHPN-AWEZNQCLSA-N 2 1 308.426 -0.532 20 30 DBEDMP COCC[NH+]1CC[C@H](NC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C1 ZINC000329671575 336036918 /nfs/dbraw/zinc/03/69/18/336036918.db2.gz NGKJXYVQTINDOP-UONOGXRCSA-N 2 1 313.446 -0.544 20 30 DBEDMP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329671575 336036920 /nfs/dbraw/zinc/03/69/20/336036920.db2.gz NGKJXYVQTINDOP-UONOGXRCSA-N 2 1 313.446 -0.544 20 30 DBEDMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC000329671575 336036922 /nfs/dbraw/zinc/03/69/22/336036922.db2.gz NGKJXYVQTINDOP-UONOGXRCSA-N 2 1 313.446 -0.544 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(C(N)=O)CCOCC1 ZINC000303902946 529073683 /nfs/dbraw/zinc/07/36/83/529073683.db2.gz YCJHBLZWMMLTBI-GFCCVEGCSA-N 2 1 311.430 -0.343 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCn1cc(C(=O)OC)nn1 ZINC000284040611 529100565 /nfs/dbraw/zinc/10/05/65/529100565.db2.gz ORZDFCFUFSHXBK-NSHDSACASA-N 2 1 323.401 -0.547 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC001027693836 665582353 /nfs/dbraw/zinc/58/23/53/665582353.db2.gz KIPMEOCADVWVNL-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCC[C@H]([N@@H+](C)CC(N)=O)C2)CC1 ZINC001027693836 665582358 /nfs/dbraw/zinc/58/23/58/665582358.db2.gz KIPMEOCADVWVNL-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCCN(CC(N)=O)C2 ZINC000981819332 665877964 /nfs/dbraw/zinc/87/79/64/665877964.db2.gz WVTZWLVOLAXLKO-AWEZNQCLSA-N 2 1 318.421 -0.506 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C2CC2)C[C@@H]1C ZINC000261960980 664226413 /nfs/dbraw/zinc/22/64/13/664226413.db2.gz KDLHYHATUFVULJ-NUEKZKHPSA-N 3 1 322.501 -0.120 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000261960980 664226419 /nfs/dbraw/zinc/22/64/19/664226419.db2.gz KDLHYHATUFVULJ-NUEKZKHPSA-N 3 1 322.501 -0.120 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000261960980 664226423 /nfs/dbraw/zinc/22/64/23/664226423.db2.gz KDLHYHATUFVULJ-NUEKZKHPSA-N 3 1 322.501 -0.120 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC001025798650 665088209 /nfs/dbraw/zinc/08/82/09/665088209.db2.gz CIOJZSUTOUMMRO-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001025798650 665088210 /nfs/dbraw/zinc/08/82/10/665088210.db2.gz CIOJZSUTOUMMRO-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001025798650 665088212 /nfs/dbraw/zinc/08/82/12/665088212.db2.gz CIOJZSUTOUMMRO-ARKGTOAJSA-N 2 1 303.406 -0.081 20 30 DBEDMP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)NCC#CC[NH+](C)C)C1 ZINC000913525454 674801783 /nfs/dbraw/zinc/80/17/83/674801783.db2.gz YCVPTAUWYAVHRL-AWEZNQCLSA-N 2 1 309.410 -0.057 20 30 DBEDMP CCOC(=O)[C@H]1CCC[N@@H+](CC(=O)NCC#CC[NH+](C)C)C1 ZINC000913525454 674801784 /nfs/dbraw/zinc/80/17/84/674801784.db2.gz YCVPTAUWYAVHRL-AWEZNQCLSA-N 2 1 309.410 -0.057 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[N@@H+]2C)[C@H]1C(=O)NC[C@@H]1CC[NH+]1C ZINC000928557035 671324191 /nfs/dbraw/zinc/32/41/91/671324191.db2.gz YKFGIRMIHXQKMW-CRWXNKLISA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+]2C)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557035 671324192 /nfs/dbraw/zinc/32/41/92/671324192.db2.gz YKFGIRMIHXQKMW-CRWXNKLISA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@H]2CC[NH+]2C)[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557035 671324195 /nfs/dbraw/zinc/32/41/95/671324195.db2.gz YKFGIRMIHXQKMW-CRWXNKLISA-N 2 1 306.410 -0.571 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995926463 678210231 /nfs/dbraw/zinc/21/02/31/678210231.db2.gz VQAMWXVZZHTMBI-STQMWFEESA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(N)=O)C(C)(C)C1 ZINC000995926463 678210232 /nfs/dbraw/zinc/21/02/32/678210232.db2.gz VQAMWXVZZHTMBI-STQMWFEESA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000996687426 678280110 /nfs/dbraw/zinc/28/01/10/678280110.db2.gz WLQUGXKTKWNSNE-OCCSQVGLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000996687426 678280114 /nfs/dbraw/zinc/28/01/14/678280114.db2.gz WLQUGXKTKWNSNE-OCCSQVGLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[N@@H+]3C)nn2)C1 ZINC000999963490 678779853 /nfs/dbraw/zinc/77/98/53/678779853.db2.gz QZKMDHVBKMOOBT-HUUCEWRRSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999963490 678779854 /nfs/dbraw/zinc/77/98/54/678779854.db2.gz QZKMDHVBKMOOBT-HUUCEWRRSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999963490 678779855 /nfs/dbraw/zinc/77/98/55/678779855.db2.gz QZKMDHVBKMOOBT-HUUCEWRRSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001296080038 805609744 /nfs/dbraw/zinc/60/97/44/805609744.db2.gz JPDRENWQRYMVGW-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+]1CCCC1 ZINC001296080038 805609749 /nfs/dbraw/zinc/60/97/49/805609749.db2.gz JPDRENWQRYMVGW-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316640297 805973960 /nfs/dbraw/zinc/97/39/60/805973960.db2.gz VCAHJNYNNIXEND-MGPQQGTHSA-N 2 1 321.425 -0.548 20 30 DBEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000852876430 805986438 /nfs/dbraw/zinc/98/64/38/805986438.db2.gz HYIKYQDIOJLDJU-OAHLLOKOSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001316796582 805990315 /nfs/dbraw/zinc/99/03/15/805990315.db2.gz OAIZQGZZYTVSHV-KGLIPLIRSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC001316796582 805990321 /nfs/dbraw/zinc/99/03/21/805990321.db2.gz OAIZQGZZYTVSHV-KGLIPLIRSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865054 806016847 /nfs/dbraw/zinc/01/68/47/806016847.db2.gz FKQZVBIIBNCJIP-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865054 806016855 /nfs/dbraw/zinc/01/68/55/806016855.db2.gz FKQZVBIIBNCJIP-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001316927214 806034237 /nfs/dbraw/zinc/03/42/37/806034237.db2.gz RQKJXLBZHOVORS-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001316927214 806034246 /nfs/dbraw/zinc/03/42/46/806034246.db2.gz RQKJXLBZHOVORS-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001316927214 806034256 /nfs/dbraw/zinc/03/42/56/806034256.db2.gz RQKJXLBZHOVORS-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCOCC[NH+]1CCN(CCNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001316968439 806051086 /nfs/dbraw/zinc/05/10/86/806051086.db2.gz TWNRRBCMTOCSTD-INIZCTEOSA-N 2 1 324.469 -0.126 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001317030708 806072972 /nfs/dbraw/zinc/07/29/72/806072972.db2.gz WLUQOXHZCJCBCI-ZFWWWQNUSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)CCC)C1 ZINC001317066498 806080799 /nfs/dbraw/zinc/08/07/99/806080799.db2.gz UTFAJHSKIGQGIA-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001317150798 806099597 /nfs/dbraw/zinc/09/95/97/806099597.db2.gz OQDFBPKYVNMVHO-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001317150798 806099607 /nfs/dbraw/zinc/09/96/07/806099607.db2.gz OQDFBPKYVNMVHO-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001317411245 806146297 /nfs/dbraw/zinc/14/62/97/806146297.db2.gz DCUJIDLBMKHIKF-OLZOCXBDSA-N 2 1 309.414 -0.548 20 30 DBEDMP COCC#CC[N@@H+](C)CCNC(=O)COC1CC[NH+](C)CC1 ZINC001317468004 806159116 /nfs/dbraw/zinc/15/91/16/806159116.db2.gz OJXSKNSIMIDRQL-UHFFFAOYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCn2cncn2)CC1 ZINC001317472004 806160898 /nfs/dbraw/zinc/16/08/98/806160898.db2.gz TZHNBOKYWWSQPH-UHFFFAOYSA-N 2 1 318.425 -0.329 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001317596965 806198987 /nfs/dbraw/zinc/19/89/87/806198987.db2.gz OPMDLFRCGUAXQT-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCN1CCCC1=O ZINC001317596965 806198992 /nfs/dbraw/zinc/19/89/92/806198992.db2.gz OPMDLFRCGUAXQT-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001317597043 806199551 /nfs/dbraw/zinc/19/95/51/806199551.db2.gz QRLXRDYHKDAYNA-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC1CC1 ZINC001317597043 806199557 /nfs/dbraw/zinc/19/95/57/806199557.db2.gz QRLXRDYHKDAYNA-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@@H+](C)CC(N)=O)CC1 ZINC001317870968 806239856 /nfs/dbraw/zinc/23/98/56/806239856.db2.gz YJPXKPOFIGPMCV-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC(C[N@H+](C)CC(N)=O)CC1 ZINC001317870968 806239863 /nfs/dbraw/zinc/23/98/63/806239863.db2.gz YJPXKPOFIGPMCV-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001317870968 806239870 /nfs/dbraw/zinc/23/98/70/806239870.db2.gz YJPXKPOFIGPMCV-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CC(N)=O)CC1 ZINC001317870968 806239875 /nfs/dbraw/zinc/23/98/75/806239875.db2.gz YJPXKPOFIGPMCV-HNNXBMFYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001318443098 806300471 /nfs/dbraw/zinc/30/04/71/806300471.db2.gz RCSQFXTZOICOCN-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001318443098 806300480 /nfs/dbraw/zinc/30/04/80/806300480.db2.gz RCSQFXTZOICOCN-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443098 806300490 /nfs/dbraw/zinc/30/04/90/806300490.db2.gz RCSQFXTZOICOCN-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443098 806300500 /nfs/dbraw/zinc/30/05/00/806300500.db2.gz RCSQFXTZOICOCN-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC[C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602478 806316238 /nfs/dbraw/zinc/31/62/38/806316238.db2.gz JREWYRDMDBNWQB-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC#CCOC ZINC001318602478 806316247 /nfs/dbraw/zinc/31/62/47/806316247.db2.gz JREWYRDMDBNWQB-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001318644919 806319280 /nfs/dbraw/zinc/31/92/80/806319280.db2.gz OVJFDJGHPTXYQR-CQSZACIVSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319084299 806344013 /nfs/dbraw/zinc/34/40/13/806344013.db2.gz CTMYYQHAIUKWHD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589755 806394721 /nfs/dbraw/zinc/39/47/21/806394721.db2.gz MGNJVTOLTQDPIG-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589755 806394731 /nfs/dbraw/zinc/39/47/31/806394731.db2.gz MGNJVTOLTQDPIG-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001321403615 806621926 /nfs/dbraw/zinc/62/19/26/806621926.db2.gz OYNIPOCMQLTMGT-URWSZGRFSA-N 2 1 317.393 -0.409 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322230936 806724775 /nfs/dbraw/zinc/72/47/75/806724775.db2.gz PDYLYGLAOPYXEV-GFCCVEGCSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322230936 806724776 /nfs/dbraw/zinc/72/47/76/806724776.db2.gz PDYLYGLAOPYXEV-GFCCVEGCSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803533 806806872 /nfs/dbraw/zinc/80/68/72/806806872.db2.gz WTORDFYFACREMM-KKUMJFAQSA-N 2 1 301.394 -0.327 20 30 DBEDMP C[N@@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N)C1CCC1 ZINC001324174724 806949761 /nfs/dbraw/zinc/94/97/61/806949761.db2.gz IKNPBZQMYMSLQD-AWEZNQCLSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001278194321 803766694 /nfs/dbraw/zinc/76/66/94/803766694.db2.gz KFUNCRSFMLWSCC-CQSZACIVSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001278194321 803766696 /nfs/dbraw/zinc/76/66/96/803766696.db2.gz KFUNCRSFMLWSCC-CQSZACIVSA-N 2 1 320.437 -0.260 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278423991 803791208 /nfs/dbraw/zinc/79/12/08/803791208.db2.gz MYCQNZPSVPSMAV-OLZOCXBDSA-N 2 1 309.414 -0.455 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001278573016 803800063 /nfs/dbraw/zinc/80/00/63/803800063.db2.gz SEEIHIUXAYELQF-QGZVFWFLSA-N 2 1 322.453 -0.094 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001279029169 803869673 /nfs/dbraw/zinc/86/96/73/803869673.db2.gz AVROCSYRDTYQRZ-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCC1 ZINC001280497472 803966040 /nfs/dbraw/zinc/96/60/40/803966040.db2.gz ORFOMSNQKVORRT-CYBMUJFWSA-N 2 1 306.410 -0.542 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CCO1 ZINC001280565596 803981279 /nfs/dbraw/zinc/98/12/79/803981279.db2.gz FZMJKISLSSRADR-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001281193449 804118622 /nfs/dbraw/zinc/11/86/22/804118622.db2.gz SPEWRTCLQIFLHH-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001281193449 804118627 /nfs/dbraw/zinc/11/86/27/804118627.db2.gz SPEWRTCLQIFLHH-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001281283457 804148442 /nfs/dbraw/zinc/14/84/42/804148442.db2.gz SNHJYTBGGYSAMQ-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001281283457 804148445 /nfs/dbraw/zinc/14/84/45/804148445.db2.gz SNHJYTBGGYSAMQ-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001281328485 804153961 /nfs/dbraw/zinc/15/39/61/804153961.db2.gz TXTSXITUYFAQLW-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001281328485 804153967 /nfs/dbraw/zinc/15/39/67/804153967.db2.gz TXTSXITUYFAQLW-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(=O)NCC#N ZINC001282392243 804272285 /nfs/dbraw/zinc/27/22/85/804272285.db2.gz YBYZAIDMTXZWSC-JSGCOSHPSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(=O)NCC#N ZINC001282392243 804272289 /nfs/dbraw/zinc/27/22/89/804272289.db2.gz YBYZAIDMTXZWSC-JSGCOSHPSA-N 2 1 321.425 -0.596 20 30 DBEDMP COCC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1CCC[NH+]1C ZINC001283359353 804492076 /nfs/dbraw/zinc/49/20/76/804492076.db2.gz KXEGQQKMDRWXLT-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001283359353 804492078 /nfs/dbraw/zinc/49/20/78/804492078.db2.gz KXEGQQKMDRWXLT-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001283359353 804492081 /nfs/dbraw/zinc/49/20/81/804492081.db2.gz KXEGQQKMDRWXLT-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001283618867 804541035 /nfs/dbraw/zinc/54/10/35/804541035.db2.gz XGKGLSXZUCJYOS-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001283618867 804541040 /nfs/dbraw/zinc/54/10/40/804541040.db2.gz XGKGLSXZUCJYOS-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284346109 804688040 /nfs/dbraw/zinc/68/80/40/804688040.db2.gz FTBXSBNPVZQIGL-UONOGXRCSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)C1CC[NH+](CC#C)CC1 ZINC001284520774 804728071 /nfs/dbraw/zinc/72/80/71/804728071.db2.gz YAYOLAVUUMVTHL-INIZCTEOSA-N 2 1 305.422 -0.284 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001284976976 804815649 /nfs/dbraw/zinc/81/56/49/804815649.db2.gz PGPHHQVTBJFGDF-OAHLLOKOSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001285720728 804952358 /nfs/dbraw/zinc/95/23/58/804952358.db2.gz DROUPHIZPFKRRF-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001285720728 804952362 /nfs/dbraw/zinc/95/23/62/804952362.db2.gz DROUPHIZPFKRRF-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP COCC[N@H+]1CC[C@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884213954 807040219 /nfs/dbraw/zinc/04/02/19/807040219.db2.gz QDMVVCQXAIMYHE-WJEHIRDRSA-N 2 1 306.410 -0.037 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325160053 807042906 /nfs/dbraw/zinc/04/29/06/807042906.db2.gz JHFPVZZCTYPKAJ-ZBFHGGJFSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325160053 807042913 /nfs/dbraw/zinc/04/29/13/807042913.db2.gz JHFPVZZCTYPKAJ-ZBFHGGJFSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325160053 807042919 /nfs/dbraw/zinc/04/29/19/807042919.db2.gz JHFPVZZCTYPKAJ-ZBFHGGJFSA-N 2 1 309.410 -0.859 20 30 DBEDMP CC[C@@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1)[NH+](C)C ZINC001325773165 807102844 /nfs/dbraw/zinc/10/28/44/807102844.db2.gz VPJMXWKKACFZDY-MJBXVCDLSA-N 2 1 321.425 -0.643 20 30 DBEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001327596881 807310562 /nfs/dbraw/zinc/31/05/62/807310562.db2.gz YWBYUDPOPBQKLL-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP CC#CC[NH2+]CC1(NC(=O)CC[NH+]2CCOCC2)CCOCC1 ZINC001327669169 807321200 /nfs/dbraw/zinc/32/12/00/807321200.db2.gz DVVJGEAJWXCXOO-UHFFFAOYSA-N 2 1 323.437 -0.013 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001327958632 807361386 /nfs/dbraw/zinc/36/13/86/807361386.db2.gz MPCJDQFRMVORRB-KGLIPLIRSA-N 2 1 308.426 -0.488 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795369 807468416 /nfs/dbraw/zinc/46/84/16/807468416.db2.gz CBMSLGLOHQCHEG-AWEZNQCLSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001328795369 807468422 /nfs/dbraw/zinc/46/84/22/807468422.db2.gz CBMSLGLOHQCHEG-AWEZNQCLSA-N 2 1 321.425 -0.355 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001328960933 807495124 /nfs/dbraw/zinc/49/51/24/807495124.db2.gz KCUWULXTARQRDF-UHFFFAOYSA-N 2 1 308.426 -0.440 20 30 DBEDMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(=O)NCC#N ZINC001329532520 807583442 /nfs/dbraw/zinc/58/34/42/807583442.db2.gz QDZAAMIXUKZENH-LBPRGKRZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(=O)NCC#N ZINC001329532520 807583447 /nfs/dbraw/zinc/58/34/47/807583447.db2.gz QDZAAMIXUKZENH-LBPRGKRZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001330700248 807742663 /nfs/dbraw/zinc/74/26/63/807742663.db2.gz MTLVQGNFDMXVEK-AVGNSLFASA-N 2 1 307.398 -0.938 20 30 DBEDMP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001331225593 807780655 /nfs/dbraw/zinc/78/06/55/807780655.db2.gz HDAVDAFHOYWQBM-UONOGXRCSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001332011122 807861013 /nfs/dbraw/zinc/86/10/13/807861013.db2.gz ZEQFNZXHYDXTRW-GXTWGEPZSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001332520372 807931947 /nfs/dbraw/zinc/93/19/47/807931947.db2.gz BPQBMAGXQARPLD-HOTGVXAUSA-N 2 1 321.421 -0.857 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]CC#CCOC ZINC001332520372 807931950 /nfs/dbraw/zinc/93/19/50/807931950.db2.gz BPQBMAGXQARPLD-HOTGVXAUSA-N 2 1 321.421 -0.857 20 30 DBEDMP COCC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332677224 807965305 /nfs/dbraw/zinc/96/53/05/807965305.db2.gz IHBGSUHDVNJKOB-OAHLLOKOSA-N 2 1 322.409 -0.408 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332677224 807965310 /nfs/dbraw/zinc/96/53/10/807965310.db2.gz IHBGSUHDVNJKOB-OAHLLOKOSA-N 2 1 322.409 -0.408 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468461 809922525 /nfs/dbraw/zinc/92/25/25/809922525.db2.gz YFQMYKIMNHOGCB-DZGCQCFKSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC000958723895 810011954 /nfs/dbraw/zinc/01/19/54/810011954.db2.gz JZJVQDLCGXQHQM-CABCVRRESA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC000958723895 810011958 /nfs/dbraw/zinc/01/19/58/810011958.db2.gz JZJVQDLCGXQHQM-CABCVRRESA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC000958724871 810013014 /nfs/dbraw/zinc/01/30/14/810013014.db2.gz USICKYGSEDQUAZ-CVEARBPZSA-N 2 1 323.437 -0.877 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958724374 810013213 /nfs/dbraw/zinc/01/32/13/810013213.db2.gz OFGSIDDPURMXOR-JKSUJKDBSA-N 2 1 303.406 -0.626 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000990506577 811670739 /nfs/dbraw/zinc/67/07/39/811670739.db2.gz CSSGAZDSWVREMC-CABCVRRESA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000990506577 811670746 /nfs/dbraw/zinc/67/07/46/811670746.db2.gz CSSGAZDSWVREMC-CABCVRRESA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000990506577 811670752 /nfs/dbraw/zinc/67/07/52/811670752.db2.gz CSSGAZDSWVREMC-CABCVRRESA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC000990506577 811670756 /nfs/dbraw/zinc/67/07/56/811670756.db2.gz CSSGAZDSWVREMC-CABCVRRESA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)C2CC[NH+](CC(N)=O)CC2)CC1 ZINC001006445444 812206921 /nfs/dbraw/zinc/20/69/21/812206921.db2.gz GXDBWENELUIONP-UHFFFAOYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001018986062 814038154 /nfs/dbraw/zinc/03/81/54/814038154.db2.gz QEABYCGYEKVEIF-ZNMIVQPWSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001018986062 814038161 /nfs/dbraw/zinc/03/81/61/814038161.db2.gz QEABYCGYEKVEIF-ZNMIVQPWSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018986350 814038898 /nfs/dbraw/zinc/03/88/98/814038898.db2.gz ZLDCRLKXXFCUCR-IHRRRGAJSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001018986350 814038905 /nfs/dbraw/zinc/03/89/05/814038905.db2.gz ZLDCRLKXXFCUCR-IHRRRGAJSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046083002 816753847 /nfs/dbraw/zinc/75/38/47/816753847.db2.gz ZVVFPNPXDBPOGK-JKSUJKDBSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083002 816753852 /nfs/dbraw/zinc/75/38/52/816753852.db2.gz ZVVFPNPXDBPOGK-JKSUJKDBSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001046083002 816753856 /nfs/dbraw/zinc/75/38/56/816753856.db2.gz ZVVFPNPXDBPOGK-JKSUJKDBSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001046082910 816754983 /nfs/dbraw/zinc/75/49/83/816754983.db2.gz YABXVDRUULXUCJ-MRXNPFEDSA-N 2 1 304.438 -0.066 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046850632 816960732 /nfs/dbraw/zinc/96/07/32/816960732.db2.gz YYBBTTUMFZNKBK-DYVFJYSZSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046850632 816960736 /nfs/dbraw/zinc/96/07/36/816960736.db2.gz YYBBTTUMFZNKBK-DYVFJYSZSA-N 2 1 320.437 -0.214 20 30 DBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463789 817150652 /nfs/dbraw/zinc/15/06/52/817150652.db2.gz SRGHYSXYJBXHJQ-WHJSIAKGSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463789 817150661 /nfs/dbraw/zinc/15/06/61/817150661.db2.gz SRGHYSXYJBXHJQ-WHJSIAKGSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463789 817150668 /nfs/dbraw/zinc/15/06/68/817150668.db2.gz SRGHYSXYJBXHJQ-WHJSIAKGSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463789 817150676 /nfs/dbraw/zinc/15/06/76/817150676.db2.gz SRGHYSXYJBXHJQ-WHJSIAKGSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047558824 817201333 /nfs/dbraw/zinc/20/13/33/817201333.db2.gz ILLHCVRSQVPRHO-GJZGRUSLSA-N 2 1 321.425 -0.252 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001047558824 817201336 /nfs/dbraw/zinc/20/13/36/817201336.db2.gz ILLHCVRSQVPRHO-GJZGRUSLSA-N 2 1 321.425 -0.252 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](CCCO)C[C@@H]2O)CC1 ZINC001047638541 817248067 /nfs/dbraw/zinc/24/80/67/817248067.db2.gz XSJNBZDOJPYXQB-HOTGVXAUSA-N 2 1 323.437 -0.783 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869645 817466461 /nfs/dbraw/zinc/46/64/61/817466461.db2.gz CGPMHPUJENGPTJ-KBXIAJHMSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869645 817466463 /nfs/dbraw/zinc/46/64/63/817466463.db2.gz CGPMHPUJENGPTJ-KBXIAJHMSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869645 817466465 /nfs/dbraw/zinc/46/64/65/817466465.db2.gz CGPMHPUJENGPTJ-KBXIAJHMSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869645 817466466 /nfs/dbraw/zinc/46/64/66/817466466.db2.gz CGPMHPUJENGPTJ-KBXIAJHMSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048870271 817466554 /nfs/dbraw/zinc/46/65/54/817466554.db2.gz VPVIKMZZSNLJJI-WCVJEAGWSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048870271 817466558 /nfs/dbraw/zinc/46/65/58/817466558.db2.gz VPVIKMZZSNLJJI-WCVJEAGWSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048870271 817466562 /nfs/dbraw/zinc/46/65/62/817466562.db2.gz VPVIKMZZSNLJJI-WCVJEAGWSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](C[C@@H](C)O)C[C@@H]2C1 ZINC001048870271 817466564 /nfs/dbraw/zinc/46/65/64/817466564.db2.gz VPVIKMZZSNLJJI-WCVJEAGWSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001054296172 818099824 /nfs/dbraw/zinc/09/98/24/818099824.db2.gz HZRAYNDTZVZULR-MJBXVCDLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001054296172 818099833 /nfs/dbraw/zinc/09/98/33/818099833.db2.gz HZRAYNDTZVZULR-MJBXVCDLSA-N 2 1 306.410 -0.462 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158966 820410394 /nfs/dbraw/zinc/41/03/94/820410394.db2.gz ZCKLKLWXGRFQHO-RDBSUJKOSA-N 2 1 304.398 -0.100 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070327143 820444996 /nfs/dbraw/zinc/44/49/96/820444996.db2.gz UQLWISPWTFDIGN-MCIONIFRSA-N 2 1 302.382 -0.796 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cn(C)cn1 ZINC001070563401 820498936 /nfs/dbraw/zinc/49/89/36/820498936.db2.gz BKJCZDMOQXPSOZ-OFQRWUPVSA-N 2 1 315.421 -0.111 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@@H+](CC(N)=O)C3)CC1 ZINC001073456133 821134395 /nfs/dbraw/zinc/13/43/95/821134395.db2.gz XFRTXNKWPKJNDO-UHFFFAOYSA-N 2 1 318.421 -0.649 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC3(C2)CC[N@H+](CC(N)=O)C3)CC1 ZINC001073456133 821134405 /nfs/dbraw/zinc/13/44/05/821134405.db2.gz XFRTXNKWPKJNDO-UHFFFAOYSA-N 2 1 318.421 -0.649 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001073899510 821265778 /nfs/dbraw/zinc/26/57/78/821265778.db2.gz VVSDOSPWMDSMJW-INIZCTEOSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2O)CC1 ZINC001078227088 823747352 /nfs/dbraw/zinc/74/73/52/823747352.db2.gz ILVGVVWFQBPHNS-FVQBIDKESA-N 2 1 323.437 -0.472 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001114057329 828612776 /nfs/dbraw/zinc/61/27/76/828612776.db2.gz KMBCNWDVWWAWSN-COMQUAJESA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001114057329 828612778 /nfs/dbraw/zinc/61/27/78/828612778.db2.gz KMBCNWDVWWAWSN-COMQUAJESA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114057329 828612780 /nfs/dbraw/zinc/61/27/80/828612780.db2.gz KMBCNWDVWWAWSN-COMQUAJESA-N 2 1 306.410 -0.571 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001114057329 828612781 /nfs/dbraw/zinc/61/27/81/828612781.db2.gz KMBCNWDVWWAWSN-COMQUAJESA-N 2 1 306.410 -0.571 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001114409072 828688702 /nfs/dbraw/zinc/68/87/02/828688702.db2.gz GACBARPYRMGEIK-MXYBEHONSA-N 2 1 319.409 -0.987 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001114409072 828688705 /nfs/dbraw/zinc/68/87/05/828688705.db2.gz GACBARPYRMGEIK-MXYBEHONSA-N 2 1 319.409 -0.987 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453869 828697133 /nfs/dbraw/zinc/69/71/33/828697133.db2.gz ROWGVCJAWKGROG-LJIZCISZSA-N 2 1 323.437 -0.046 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453869 828697139 /nfs/dbraw/zinc/69/71/39/828697139.db2.gz ROWGVCJAWKGROG-LJIZCISZSA-N 2 1 323.437 -0.046 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453869 828697144 /nfs/dbraw/zinc/69/71/44/828697144.db2.gz ROWGVCJAWKGROG-LJIZCISZSA-N 2 1 323.437 -0.046 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453869 828697149 /nfs/dbraw/zinc/69/71/49/828697149.db2.gz ROWGVCJAWKGROG-LJIZCISZSA-N 2 1 323.437 -0.046 20 30 DBEDMP CC[N@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114487914 828700757 /nfs/dbraw/zinc/70/07/57/828700757.db2.gz CQZYSSJJDGLRPI-IMRBUKKESA-N 2 1 321.425 -0.597 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001114487914 828700761 /nfs/dbraw/zinc/70/07/61/828700761.db2.gz CQZYSSJJDGLRPI-IMRBUKKESA-N 2 1 321.425 -0.597 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114487914 828700765 /nfs/dbraw/zinc/70/07/65/828700765.db2.gz CQZYSSJJDGLRPI-IMRBUKKESA-N 2 1 321.425 -0.597 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114487914 828700766 /nfs/dbraw/zinc/70/07/66/828700766.db2.gz CQZYSSJJDGLRPI-IMRBUKKESA-N 2 1 321.425 -0.597 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086109809 825179383 /nfs/dbraw/zinc/17/93/83/825179383.db2.gz FVCFPACAVPKXNW-XGUBFFRZSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086109809 825179386 /nfs/dbraw/zinc/17/93/86/825179386.db2.gz FVCFPACAVPKXNW-XGUBFFRZSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086153078 825187474 /nfs/dbraw/zinc/18/74/74/825187474.db2.gz VHLNUKQIBSTLBN-LQCZDEPNSA-N 2 1 303.406 -0.033 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000624 828774183 /nfs/dbraw/zinc/77/41/83/828774183.db2.gz JDZQZEMJNPWFIC-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115150496 828793569 /nfs/dbraw/zinc/79/35/69/828793569.db2.gz XMLWDJCVMYFYCU-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115150496 828793571 /nfs/dbraw/zinc/79/35/71/828793571.db2.gz XMLWDJCVMYFYCU-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115150496 828793573 /nfs/dbraw/zinc/79/35/73/828793573.db2.gz XMLWDJCVMYFYCU-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115150496 828793574 /nfs/dbraw/zinc/79/35/74/828793574.db2.gz XMLWDJCVMYFYCU-VIKVFOODSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@@H]2O)CC1 ZINC001090830020 825863344 /nfs/dbraw/zinc/86/33/44/825863344.db2.gz HZPFPTMFTCNWMZ-HOTGVXAUSA-N 2 1 323.437 -0.735 20 30 DBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001091151372 825925770 /nfs/dbraw/zinc/92/57/70/825925770.db2.gz VHLNUKQIBSTLBN-RDVIWEACSA-N 2 1 303.406 -0.033 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@H+](CCO)C[C@@]2(C)C1 ZINC001091749838 825977387 /nfs/dbraw/zinc/97/73/87/825977387.db2.gz QPJBCUKRLPDDAL-VYDXJSESSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2C[N@@H+](CCO)C[C@@]2(C)C1 ZINC001091749838 825977397 /nfs/dbraw/zinc/97/73/97/825977397.db2.gz QPJBCUKRLPDDAL-VYDXJSESSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091749838 825977403 /nfs/dbraw/zinc/97/74/03/825977403.db2.gz QPJBCUKRLPDDAL-VYDXJSESSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2C[NH+](CCO)C[C@@]2(C)C1 ZINC001091749838 825977409 /nfs/dbraw/zinc/97/74/09/825977409.db2.gz QPJBCUKRLPDDAL-VYDXJSESSA-N 2 1 305.422 -0.143 20 30 DBEDMP COC(=O)C1(C#N)CCN(C(=O)C[NH2+]C2CC[NH2+]CC2)CC1 ZINC001161487723 833025971 /nfs/dbraw/zinc/02/59/71/833025971.db2.gz HYYXKJFXQHOYDQ-UHFFFAOYSA-N 2 1 308.382 -0.367 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)COCC[NH+](C)C)CC1 ZINC001098532701 826496680 /nfs/dbraw/zinc/49/66/80/826496680.db2.gz AWBNJXPICGATKI-UHFFFAOYSA-N 2 1 311.426 -0.517 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918962 826728605 /nfs/dbraw/zinc/72/86/05/826728605.db2.gz UPYALWNLFQQSRA-CABCVRRESA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918962 826728610 /nfs/dbraw/zinc/72/86/10/826728610.db2.gz UPYALWNLFQQSRA-CABCVRRESA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001274579250 833104006 /nfs/dbraw/zinc/10/40/06/833104006.db2.gz TWMJTUFWFSQGFR-LAWSMPECSA-N 2 1 308.426 -0.109 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036940 826787246 /nfs/dbraw/zinc/78/72/46/826787246.db2.gz PZEPRCTVTSFKAM-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100036940 826787256 /nfs/dbraw/zinc/78/72/56/826787256.db2.gz PZEPRCTVTSFKAM-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050059 826797112 /nfs/dbraw/zinc/79/71/12/826797112.db2.gz BLHDFVNABZSLRQ-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074161 826826778 /nfs/dbraw/zinc/82/67/78/826826778.db2.gz JTFAFMKEYCUVSX-LSDHHAIUSA-N 2 1 323.437 -0.164 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162646920 833115304 /nfs/dbraw/zinc/11/53/04/833115304.db2.gz MDEICBBXAIJAKJ-CYBMUJFWSA-N 2 1 305.382 -0.575 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100980904 827057164 /nfs/dbraw/zinc/05/71/64/827057164.db2.gz LUDDJJCGDLHNHL-MOKVOYLWSA-N 2 1 306.410 -0.828 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001100983578 827059371 /nfs/dbraw/zinc/05/93/71/827059371.db2.gz LXYQFXVQNBIXBG-UHFFFAOYSA-N 2 1 319.409 -0.022 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101037221 827065560 /nfs/dbraw/zinc/06/55/60/827065560.db2.gz DJDPIAONUBWHPA-NFOMZHRRSA-N 2 1 322.453 -0.051 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C)[NH+](C)C ZINC001102085895 827184656 /nfs/dbraw/zinc/18/46/56/827184656.db2.gz HMXKVKZCFUEXPL-MGPQQGTHSA-N 2 1 323.441 -0.350 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001275284893 833167233 /nfs/dbraw/zinc/16/72/33/833167233.db2.gz VFENFVICEZAHRG-IYXRBSQSSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001275284603 833167646 /nfs/dbraw/zinc/16/76/46/833167646.db2.gz NHZMTFZBOOTYDI-NFOMZHRRSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001163822356 833170914 /nfs/dbraw/zinc/17/09/14/833170914.db2.gz ZWNIOMSKZIGDIW-CQSZACIVSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001163822355 833171086 /nfs/dbraw/zinc/17/10/86/833171086.db2.gz ZWNIOMSKZIGDIW-AWEZNQCLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N1CCC1 ZINC001275849899 833214772 /nfs/dbraw/zinc/21/47/72/833214772.db2.gz JLQSGXPFMYYBBF-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974098 827577245 /nfs/dbraw/zinc/57/72/45/827577245.db2.gz OCFBRTHGGRBOLI-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974098 827577251 /nfs/dbraw/zinc/57/72/51/827577251.db2.gz OCFBRTHGGRBOLI-BZUAXINKSA-N 2 1 323.437 -0.349 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921555 833221891 /nfs/dbraw/zinc/22/18/91/833221891.db2.gz UWFFBACJECJASN-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001275921555 833221896 /nfs/dbraw/zinc/22/18/96/833221896.db2.gz UWFFBACJECJASN-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001275977242 833228317 /nfs/dbraw/zinc/22/83/17/833228317.db2.gz OTMJQGBIDPGGCG-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001275977242 833228318 /nfs/dbraw/zinc/22/83/18/833228318.db2.gz OTMJQGBIDPGGCG-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001276012781 833234525 /nfs/dbraw/zinc/23/45/25/833234525.db2.gz SWRXTTQTEPDTJQ-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)N(C)CC(=O)NCC#N ZINC001276012136 833235146 /nfs/dbraw/zinc/23/51/46/833235146.db2.gz PMMDHWBLNZFALI-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N ZINC001276012392 833235215 /nfs/dbraw/zinc/23/52/15/833235215.db2.gz PMMDHWBLNZFALI-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCC[N@@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342923 827952049 /nfs/dbraw/zinc/95/20/49/827952049.db2.gz KRDKQLVWAOZGSY-MRXNPFEDSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCC[N@H+]1CCO[C@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342923 827952053 /nfs/dbraw/zinc/95/20/53/827952053.db2.gz KRDKQLVWAOZGSY-MRXNPFEDSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001166677777 833277811 /nfs/dbraw/zinc/27/78/11/833277811.db2.gz MWFXIAKJIGLPBM-UONOGXRCSA-N 2 1 308.426 -0.438 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569244 828017774 /nfs/dbraw/zinc/01/77/74/828017774.db2.gz CMMZZJOUSPMPLE-ZDUSSCGKSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669022 828128964 /nfs/dbraw/zinc/12/89/64/828128964.db2.gz KYQAJEFPKMTWDR-RDBSUJKOSA-N 2 1 308.426 -0.038 20 30 DBEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109669022 828128967 /nfs/dbraw/zinc/12/89/67/828128967.db2.gz KYQAJEFPKMTWDR-RDBSUJKOSA-N 2 1 308.426 -0.038 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001167814843 833311153 /nfs/dbraw/zinc/31/11/53/833311153.db2.gz HBCCPOSYLGBFCM-UHFFFAOYSA-N 2 1 323.441 -0.156 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+]3CC[C@@H](O)C3)C2)CC1 ZINC001117532327 828989456 /nfs/dbraw/zinc/98/94/56/828989456.db2.gz BUYAQCZQHYVLMU-JKSUJKDBSA-N 2 1 305.422 -0.001 20 30 DBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001169798433 833344792 /nfs/dbraw/zinc/34/47/92/833344792.db2.gz PBNFMJDFJWKCMO-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563950 833408994 /nfs/dbraw/zinc/40/89/94/833408994.db2.gz IMIPBZWQQUQPCZ-GJZGRUSLSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127257010 829996882 /nfs/dbraw/zinc/99/68/82/829996882.db2.gz UVQOOASEXBBHRI-ZIAGYGMSSA-N 2 1 306.410 -0.684 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129362571 830175597 /nfs/dbraw/zinc/17/55/97/830175597.db2.gz ADRPVAIEFSIOOT-MRXNPFEDSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129418251 830179373 /nfs/dbraw/zinc/17/93/73/830179373.db2.gz SXDQDFLNPSSNCE-LBPRGKRZSA-N 2 1 303.366 -0.784 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429207 830180627 /nfs/dbraw/zinc/18/06/27/830180627.db2.gz DPYIZOILHHYDOC-OAHLLOKOSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129436408 830180722 /nfs/dbraw/zinc/18/07/22/830180722.db2.gz PIGAUNJGJSDNKG-OLZOCXBDSA-N 2 1 317.393 -0.396 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001129770901 830208987 /nfs/dbraw/zinc/20/89/87/830208987.db2.gz NDHMRXIAHJWUBQ-HNNXBMFYSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC1CCCC1 ZINC001129770901 830208994 /nfs/dbraw/zinc/20/89/94/830208994.db2.gz NDHMRXIAHJWUBQ-HNNXBMFYSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CCCC)C(N)=O ZINC001129771294 830209323 /nfs/dbraw/zinc/20/93/23/830209323.db2.gz UTSWFKYNLNMVRV-KGLIPLIRSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](CCCC)C(N)=O ZINC001129771294 830209325 /nfs/dbraw/zinc/20/93/25/830209325.db2.gz UTSWFKYNLNMVRV-KGLIPLIRSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC ZINC001129791158 830211075 /nfs/dbraw/zinc/21/10/75/830211075.db2.gz VSCZLFAFCNMIGX-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCCC ZINC001129791158 830211082 /nfs/dbraw/zinc/21/10/82/830211082.db2.gz VSCZLFAFCNMIGX-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)C1CC1 ZINC001129791164 830211315 /nfs/dbraw/zinc/21/13/15/830211315.db2.gz VXLHDLGLPNYPQH-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)C1CC1 ZINC001129791164 830211320 /nfs/dbraw/zinc/21/13/20/830211320.db2.gz VXLHDLGLPNYPQH-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001129845925 830217567 /nfs/dbraw/zinc/21/75/67/830217567.db2.gz KTUVZELVZXXHNT-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107001 830264651 /nfs/dbraw/zinc/26/46/51/830264651.db2.gz CUECAOIOWYAAHE-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184334 830278158 /nfs/dbraw/zinc/27/81/58/830278158.db2.gz MCVULGPHNMHURF-FRRDWIJNSA-N 2 1 312.414 -0.898 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184334 830278166 /nfs/dbraw/zinc/27/81/66/830278166.db2.gz MCVULGPHNMHURF-FRRDWIJNSA-N 2 1 312.414 -0.898 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300151 830293872 /nfs/dbraw/zinc/29/38/72/830293872.db2.gz JLJJHTVYMNJDCK-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001132893405 830711219 /nfs/dbraw/zinc/71/12/19/830711219.db2.gz PHKBQZYNDUWEEJ-IHRRRGAJSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004937 830732230 /nfs/dbraw/zinc/73/22/30/830732230.db2.gz PPNIUOCNQYLMIM-CYBMUJFWSA-N 2 1 317.393 -0.791 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093141 831009493 /nfs/dbraw/zinc/00/94/93/831009493.db2.gz ITYIUGGQCGIYBG-OLZOCXBDSA-N 2 1 307.398 -0.651 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095656 831010953 /nfs/dbraw/zinc/01/09/53/831010953.db2.gz MYEUARJKBYBGLE-ZIAGYGMSSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305013 831049046 /nfs/dbraw/zinc/04/90/46/831049046.db2.gz FPILJMLUNDJDKN-UHFFFAOYSA-N 2 1 305.382 -0.573 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135858503 831130789 /nfs/dbraw/zinc/13/07/89/831130789.db2.gz YVHYTLGLMRDYRX-KBPBESRZSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CC[N@H+](C)CC ZINC001135858504 831131162 /nfs/dbraw/zinc/13/11/62/831131162.db2.gz YVHYTLGLMRDYRX-KGLIPLIRSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333313 831276903 /nfs/dbraw/zinc/27/69/03/831276903.db2.gz NRGGEMPHTWPNIH-QWHCGFSZSA-N 2 1 319.409 -0.186 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146592294 831285349 /nfs/dbraw/zinc/28/53/49/831285349.db2.gz IZRFFDIOIIXJMP-STQMWFEESA-N 2 1 311.430 -0.161 20 30 DBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[N@H+](C)CC ZINC001146718904 831292428 /nfs/dbraw/zinc/29/24/28/831292428.db2.gz KRFNDYGCSWAQIY-UHFFFAOYSA-N 2 1 313.402 -0.954 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291826 831443257 /nfs/dbraw/zinc/44/32/57/831443257.db2.gz CYVGMEIMLPLTFR-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H](CC)[NH+](C)C)C2)C1 ZINC001148291826 831443262 /nfs/dbraw/zinc/44/32/62/831443262.db2.gz CYVGMEIMLPLTFR-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CCN(CC(=O)NCC#N)C2 ZINC001148542893 831460162 /nfs/dbraw/zinc/46/01/62/831460162.db2.gz RFQNOOJXTMEFJN-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148542893 831460165 /nfs/dbraw/zinc/46/01/65/831460165.db2.gz RFQNOOJXTMEFJN-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148542893 831460166 /nfs/dbraw/zinc/46/01/66/831460166.db2.gz RFQNOOJXTMEFJN-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148542893 831460169 /nfs/dbraw/zinc/46/01/69/831460169.db2.gz RFQNOOJXTMEFJN-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148542893 831460170 /nfs/dbraw/zinc/46/01/70/831460170.db2.gz RFQNOOJXTMEFJN-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148748795 831472921 /nfs/dbraw/zinc/47/29/21/831472921.db2.gz YBICUXNKABFKCZ-CYBMUJFWSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC3(C2)CC[NH+](CC(=O)NCC#N)C3)C1 ZINC001148748795 831472923 /nfs/dbraw/zinc/47/29/23/831472923.db2.gz YBICUXNKABFKCZ-CYBMUJFWSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@H+](CC(=O)NCC#N)C3)C1 ZINC001148748795 831472926 /nfs/dbraw/zinc/47/29/26/831472926.db2.gz YBICUXNKABFKCZ-CYBMUJFWSA-N 2 1 319.409 -0.888 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)N2CC3(C2)CC[N@@H+](CC(=O)NCC#N)C3)C1 ZINC001148748795 831472929 /nfs/dbraw/zinc/47/29/29/831472929.db2.gz YBICUXNKABFKCZ-CYBMUJFWSA-N 2 1 319.409 -0.888 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747943 831473044 /nfs/dbraw/zinc/47/30/44/831473044.db2.gz FIYIUENEWOALSF-AWEZNQCLSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)C1 ZINC001148747943 831473050 /nfs/dbraw/zinc/47/30/50/831473050.db2.gz FIYIUENEWOALSF-AWEZNQCLSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148747943 831473053 /nfs/dbraw/zinc/47/30/53/831473053.db2.gz FIYIUENEWOALSF-AWEZNQCLSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CC[NH+](C)C3)C2)C1 ZINC001148747943 831473057 /nfs/dbraw/zinc/47/30/57/831473057.db2.gz FIYIUENEWOALSF-AWEZNQCLSA-N 2 1 318.421 -0.778 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148839552 831475851 /nfs/dbraw/zinc/47/58/51/831475851.db2.gz QUYGUOMWZWCOSR-UHFFFAOYSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001148839552 831475857 /nfs/dbraw/zinc/47/58/57/831475857.db2.gz QUYGUOMWZWCOSR-UHFFFAOYSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148839552 831475862 /nfs/dbraw/zinc/47/58/62/831475862.db2.gz QUYGUOMWZWCOSR-UHFFFAOYSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148839552 831475867 /nfs/dbraw/zinc/47/58/67/831475867.db2.gz QUYGUOMWZWCOSR-UHFFFAOYSA-N 2 1 321.425 -0.499 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151756382 831708542 /nfs/dbraw/zinc/70/85/42/831708542.db2.gz LBDVIZHDQHRLIA-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151756382 831708543 /nfs/dbraw/zinc/70/85/43/831708543.db2.gz LBDVIZHDQHRLIA-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C[N@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001153314906 831801556 /nfs/dbraw/zinc/80/15/56/831801556.db2.gz RWMADEJHUXYAAR-UHFFFAOYSA-N 2 1 317.393 -0.536 20 30 DBEDMP C[N@@H+](CC(=O)NCC[NH2+]CC(=O)NCC#N)Cc1ccccc1 ZINC001153314906 831801559 /nfs/dbraw/zinc/80/15/59/831801559.db2.gz RWMADEJHUXYAAR-UHFFFAOYSA-N 2 1 317.393 -0.536 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451444 831809222 /nfs/dbraw/zinc/80/92/22/831809222.db2.gz DEEHSXARHJAJTR-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001153451444 831809227 /nfs/dbraw/zinc/80/92/27/831809227.db2.gz DEEHSXARHJAJTR-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001153451444 831809230 /nfs/dbraw/zinc/80/92/30/831809230.db2.gz DEEHSXARHJAJTR-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001153451444 831809236 /nfs/dbraw/zinc/80/92/36/831809236.db2.gz DEEHSXARHJAJTR-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900466 831958098 /nfs/dbraw/zinc/95/80/98/831958098.db2.gz UKQUVCDUKBHLCI-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+](CC)CC ZINC001155900466 831958099 /nfs/dbraw/zinc/95/80/99/831958099.db2.gz UKQUVCDUKBHLCI-CQSZACIVSA-N 2 1 310.442 -0.096 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374375 831982507 /nfs/dbraw/zinc/98/25/07/831982507.db2.gz PNWSDSGXFAXRJM-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001156374375 831982510 /nfs/dbraw/zinc/98/25/10/831982510.db2.gz PNWSDSGXFAXRJM-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001156374375 831982513 /nfs/dbraw/zinc/98/25/13/831982513.db2.gz PNWSDSGXFAXRJM-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001156374375 831982517 /nfs/dbraw/zinc/98/25/17/831982517.db2.gz PNWSDSGXFAXRJM-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157886534 832070055 /nfs/dbraw/zinc/07/00/55/832070055.db2.gz IMHWNOWHMBCCIP-ZDUSSCGKSA-N 2 1 309.414 -0.405 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039749 832085735 /nfs/dbraw/zinc/08/57/35/832085735.db2.gz UBVZBRAYQONALR-KGLIPLIRSA-N 2 1 321.425 -0.404 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@H+](C)CC(=O)NCC#N ZINC001158435181 832112331 /nfs/dbraw/zinc/11/23/31/832112331.db2.gz VJZKNIZKJLGBAI-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[N@@H+](C)CC(=O)NCC#N ZINC001158435181 832112334 /nfs/dbraw/zinc/11/23/34/832112334.db2.gz VJZKNIZKJLGBAI-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158486570 832117214 /nfs/dbraw/zinc/11/72/14/832117214.db2.gz OHYHHNPXWCCRIL-KGLIPLIRSA-N 2 1 324.425 -0.752 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269061967 832127404 /nfs/dbraw/zinc/12/74/04/832127404.db2.gz UTEKQDQDNJHJIF-SOUVJXGZSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269061967 832127410 /nfs/dbraw/zinc/12/74/10/832127410.db2.gz UTEKQDQDNJHJIF-SOUVJXGZSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001269115204 832141643 /nfs/dbraw/zinc/14/16/43/832141643.db2.gz HRDKNFXNLLCECH-DZGCQCFKSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001269115208 832141698 /nfs/dbraw/zinc/14/16/98/832141698.db2.gz HRDKNFXNLLCECH-UKRRQHHQSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269136124 832147754 /nfs/dbraw/zinc/14/77/54/832147754.db2.gz UXEHOCOAKQILDD-HIFRSBDPSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)[C@@H](C)N1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001269193951 832159480 /nfs/dbraw/zinc/15/94/80/832159480.db2.gz YFQLBIHWDFHDJA-TZMCWYRMSA-N 2 1 317.393 -0.480 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C ZINC001270426725 832532408 /nfs/dbraw/zinc/53/24/08/832532408.db2.gz CLRKQSGTSRTCAQ-KBPBESRZSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1nncn1C ZINC001270426725 832532411 /nfs/dbraw/zinc/53/24/11/832532411.db2.gz CLRKQSGTSRTCAQ-KBPBESRZSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271145295 832628490 /nfs/dbraw/zinc/62/84/90/832628490.db2.gz LOXGRPVGVXTQOD-RDJZCZTQSA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](CC#CC)C2)CC1 ZINC001271227293 832643414 /nfs/dbraw/zinc/64/34/14/832643414.db2.gz DRRQHKFNLPDYOH-GOSISDBHSA-N 2 1 317.433 -0.092 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277020321 833920271 /nfs/dbraw/zinc/92/02/71/833920271.db2.gz OBCBPQDGEYRMFL-STQMWFEESA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001272443462 832786672 /nfs/dbraw/zinc/78/66/72/832786672.db2.gz NWDAZVPRMHMQIX-HOTGVXAUSA-N 2 1 323.437 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC1CCOCC1 ZINC001272443462 832786674 /nfs/dbraw/zinc/78/66/74/832786674.db2.gz NWDAZVPRMHMQIX-HOTGVXAUSA-N 2 1 323.437 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001159328640 832805500 /nfs/dbraw/zinc/80/55/00/832805500.db2.gz VABCAKZDYHDTMX-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP CC(C)C[N@H+]1CC[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001159846724 832851778 /nfs/dbraw/zinc/85/17/78/832851778.db2.gz RZUMLBQQUKMWRG-CQSZACIVSA-N 2 1 323.441 -0.300 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159875920 832854856 /nfs/dbraw/zinc/85/48/56/832854856.db2.gz CTWLJTGTPBFCPR-OAHLLOKOSA-N 2 1 321.425 -0.441 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001160209313 832883316 /nfs/dbraw/zinc/88/33/16/832883316.db2.gz HEXITEWIUOQKKE-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001160209313 832883327 /nfs/dbraw/zinc/88/33/27/832883327.db2.gz HEXITEWIUOQKKE-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(CC)C1=O ZINC001160209279 832883518 /nfs/dbraw/zinc/88/35/18/832883518.db2.gz GLCGGXRSFYPURY-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCN(CC)C1=O ZINC001160209279 832883528 /nfs/dbraw/zinc/88/35/28/832883528.db2.gz GLCGGXRSFYPURY-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160867967 832955259 /nfs/dbraw/zinc/95/52/59/832955259.db2.gz JCNIBEPRDAZFPW-KGLIPLIRSA-N 2 1 321.425 -0.261 20 30 DBEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001273866966 832975906 /nfs/dbraw/zinc/97/59/06/832975906.db2.gz OSLXGQWGLYOZQL-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001273866966 832975912 /nfs/dbraw/zinc/97/59/12/832975912.db2.gz OSLXGQWGLYOZQL-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179149758 833537796 /nfs/dbraw/zinc/53/77/96/833537796.db2.gz DLQXHYLLQYFDGL-STQMWFEESA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)[C@H]1C ZINC001179534217 833549795 /nfs/dbraw/zinc/54/97/95/833549795.db2.gz BDSABSYEXZWMAP-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001180124324 833569980 /nfs/dbraw/zinc/56/99/80/833569980.db2.gz HCTBPCULZDRDTP-XQQFMLRXSA-N 2 1 307.398 -0.843 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001180259487 833576724 /nfs/dbraw/zinc/57/67/24/833576724.db2.gz IOJMKXOGWOARQQ-OAHLLOKOSA-N 2 1 322.453 -0.046 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183353969 833714704 /nfs/dbraw/zinc/71/47/04/833714704.db2.gz JOSMRSXNNVNCSA-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCO)C1 ZINC001183353969 833714707 /nfs/dbraw/zinc/71/47/07/833714707.db2.gz JOSMRSXNNVNCSA-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001185136972 833781693 /nfs/dbraw/zinc/78/16/93/833781693.db2.gz NSMHTPNMTOPPGB-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001185136972 833781695 /nfs/dbraw/zinc/78/16/95/833781695.db2.gz NSMHTPNMTOPPGB-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001187106417 833903072 /nfs/dbraw/zinc/90/30/72/833903072.db2.gz GMCWRNMJJGTMNI-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187842855 833953347 /nfs/dbraw/zinc/95/33/47/833953347.db2.gz QNFDTCJGOCKQDP-GFCCVEGCSA-N 2 1 304.354 -0.978 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001277676970 833982835 /nfs/dbraw/zinc/98/28/35/833982835.db2.gz FBACIFKYXALOKI-CABCVRRESA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062288 834042119 /nfs/dbraw/zinc/04/21/19/834042119.db2.gz QKZIIMMUVGIABF-SOUVJXGZSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062288 834042129 /nfs/dbraw/zinc/04/21/29/834042129.db2.gz QKZIIMMUVGIABF-SOUVJXGZSA-N 2 1 320.437 -0.391 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388393 834073564 /nfs/dbraw/zinc/07/35/64/834073564.db2.gz FJGAQDJKNDRVNL-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189388393 834073574 /nfs/dbraw/zinc/07/35/74/834073574.db2.gz FJGAQDJKNDRVNL-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189388393 834073583 /nfs/dbraw/zinc/07/35/83/834073583.db2.gz FJGAQDJKNDRVNL-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189388393 834073592 /nfs/dbraw/zinc/07/35/92/834073592.db2.gz FJGAQDJKNDRVNL-ZIAGYGMSSA-N 2 1 308.426 -0.085 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389144 834074211 /nfs/dbraw/zinc/07/42/11/834074211.db2.gz HOGXVAHCFDKEPH-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389144 834074219 /nfs/dbraw/zinc/07/42/19/834074219.db2.gz HOGXVAHCFDKEPH-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389144 834074227 /nfs/dbraw/zinc/07/42/27/834074227.db2.gz HOGXVAHCFDKEPH-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389144 834074237 /nfs/dbraw/zinc/07/42/37/834074237.db2.gz HOGXVAHCFDKEPH-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP COCC#CC[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189802110 834113804 /nfs/dbraw/zinc/11/38/04/834113804.db2.gz SPJLQDPQUXDANY-JKSUJKDBSA-N 2 1 323.437 -0.253 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190157473 834144681 /nfs/dbraw/zinc/14/46/81/834144681.db2.gz KVVUMJRZVVDKKR-RRFJBIMHSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190157473 834144683 /nfs/dbraw/zinc/14/46/83/834144683.db2.gz KVVUMJRZVVDKKR-RRFJBIMHSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157473 834144684 /nfs/dbraw/zinc/14/46/84/834144684.db2.gz KVVUMJRZVVDKKR-RRFJBIMHSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190157473 834144686 /nfs/dbraw/zinc/14/46/86/834144686.db2.gz KVVUMJRZVVDKKR-RRFJBIMHSA-N 2 1 320.437 -0.227 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238293 834148991 /nfs/dbraw/zinc/14/89/91/834148991.db2.gz JZTVUIHWRZHEBB-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238293 834148996 /nfs/dbraw/zinc/14/89/96/834148996.db2.gz JZTVUIHWRZHEBB-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238293 834148998 /nfs/dbraw/zinc/14/89/98/834148998.db2.gz JZTVUIHWRZHEBB-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238293 834149000 /nfs/dbraw/zinc/14/90/00/834149000.db2.gz JZTVUIHWRZHEBB-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655144 834176847 /nfs/dbraw/zinc/17/68/47/834176847.db2.gz NTRNRHFECTUTHW-HIFRSBDPSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655144 834176849 /nfs/dbraw/zinc/17/68/49/834176849.db2.gz NTRNRHFECTUTHW-HIFRSBDPSA-N 2 1 321.425 -0.501 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190674991 834179267 /nfs/dbraw/zinc/17/92/67/834179267.db2.gz FSKSCGAZYOYROH-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190674991 834179271 /nfs/dbraw/zinc/17/92/71/834179271.db2.gz FSKSCGAZYOYROH-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190674991 834179276 /nfs/dbraw/zinc/17/92/76/834179276.db2.gz FSKSCGAZYOYROH-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001190674991 834179279 /nfs/dbraw/zinc/17/92/79/834179279.db2.gz FSKSCGAZYOYROH-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001190675483 834179570 /nfs/dbraw/zinc/17/95/70/834179570.db2.gz OQIVSZQVJDONIO-AWEZNQCLSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001190675483 834179575 /nfs/dbraw/zinc/17/95/75/834179575.db2.gz OQIVSZQVJDONIO-AWEZNQCLSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001190675483 834179577 /nfs/dbraw/zinc/17/95/77/834179577.db2.gz OQIVSZQVJDONIO-AWEZNQCLSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CCC1 ZINC001190675483 834179581 /nfs/dbraw/zinc/17/95/81/834179581.db2.gz OQIVSZQVJDONIO-AWEZNQCLSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)C[C@@H](O)COC)C1 ZINC001190722997 834184288 /nfs/dbraw/zinc/18/42/88/834184288.db2.gz HCDALKDMZZGZKJ-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)C[C@@H](O)COC)C1 ZINC001190722997 834184291 /nfs/dbraw/zinc/18/42/91/834184291.db2.gz HCDALKDMZZGZKJ-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C[C@@H](O)COC)C1 ZINC001190722997 834184294 /nfs/dbraw/zinc/18/42/94/834184294.db2.gz HCDALKDMZZGZKJ-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)C[C@@H](O)COC)C1 ZINC001190722997 834184297 /nfs/dbraw/zinc/18/42/97/834184297.db2.gz HCDALKDMZZGZKJ-OAGGEKHMSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@H+](C)CCOCCO)C1 ZINC001190725779 834185446 /nfs/dbraw/zinc/18/54/46/834185446.db2.gz RLLANSNHOGMUSJ-HOTGVXAUSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]([N@@H+](C)CCOCCO)C1 ZINC001190725779 834185451 /nfs/dbraw/zinc/18/54/51/834185451.db2.gz RLLANSNHOGMUSJ-HOTGVXAUSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCCO)C1 ZINC001190725779 834185456 /nfs/dbraw/zinc/18/54/56/834185456.db2.gz RLLANSNHOGMUSJ-HOTGVXAUSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH+](C)CCOCCO)C1 ZINC001190725779 834185461 /nfs/dbraw/zinc/18/54/61/834185461.db2.gz RLLANSNHOGMUSJ-HOTGVXAUSA-N 2 1 323.437 -0.374 20 30 DBEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899432 834203422 /nfs/dbraw/zinc/20/34/22/834203422.db2.gz JZKRMCNXMBGUSA-OWCLPIDISA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899432 834203424 /nfs/dbraw/zinc/20/34/24/834203424.db2.gz JZKRMCNXMBGUSA-OWCLPIDISA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899432 834203427 /nfs/dbraw/zinc/20/34/27/834203427.db2.gz JZKRMCNXMBGUSA-OWCLPIDISA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899432 834203430 /nfs/dbraw/zinc/20/34/30/834203430.db2.gz JZKRMCNXMBGUSA-OWCLPIDISA-N 2 1 323.437 -0.112 20 30 DBEDMP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342573 834359142 /nfs/dbraw/zinc/35/91/42/834359142.db2.gz HAQJSNBXQVIEKR-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001192342573 834359154 /nfs/dbraw/zinc/35/91/54/834359154.db2.gz HAQJSNBXQVIEKR-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192342573 834359166 /nfs/dbraw/zinc/35/91/66/834359166.db2.gz HAQJSNBXQVIEKR-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1CCC[NH+]1CC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192342573 834359176 /nfs/dbraw/zinc/35/91/76/834359176.db2.gz HAQJSNBXQVIEKR-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192343228 834359877 /nfs/dbraw/zinc/35/98/77/834359877.db2.gz NRJJKITWQQDZFC-HUUCEWRRSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192343228 834359884 /nfs/dbraw/zinc/35/98/84/834359884.db2.gz NRJJKITWQQDZFC-HUUCEWRRSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343228 834359896 /nfs/dbraw/zinc/35/98/96/834359896.db2.gz NRJJKITWQQDZFC-HUUCEWRRSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343228 834359907 /nfs/dbraw/zinc/35/99/07/834359907.db2.gz NRJJKITWQQDZFC-HUUCEWRRSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001192355284 834362904 /nfs/dbraw/zinc/36/29/04/834362904.db2.gz QNXPXFKOICVCLO-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001192355284 834362916 /nfs/dbraw/zinc/36/29/16/834362916.db2.gz QNXPXFKOICVCLO-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355284 834362928 /nfs/dbraw/zinc/36/29/28/834362928.db2.gz QNXPXFKOICVCLO-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001192355284 834362938 /nfs/dbraw/zinc/36/29/38/834362938.db2.gz QNXPXFKOICVCLO-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192385818 834367223 /nfs/dbraw/zinc/36/72/23/834367223.db2.gz KYMUONUJILQXEK-OLZOCXBDSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192385818 834367236 /nfs/dbraw/zinc/36/72/36/834367236.db2.gz KYMUONUJILQXEK-OLZOCXBDSA-N 2 1 309.414 -0.501 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947769 834446076 /nfs/dbraw/zinc/44/60/76/834446076.db2.gz MQUNIZNPMLAARK-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468919 834500433 /nfs/dbraw/zinc/50/04/33/834500433.db2.gz KHOLWSCWUCFSIC-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468919 834500440 /nfs/dbraw/zinc/50/04/40/834500440.db2.gz KHOLWSCWUCFSIC-ZDUSSCGKSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468918 834501248 /nfs/dbraw/zinc/50/12/48/834501248.db2.gz KHOLWSCWUCFSIC-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001193468918 834501260 /nfs/dbraw/zinc/50/12/60/834501260.db2.gz KHOLWSCWUCFSIC-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP C#CCOC[C@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001251847295 834508603 /nfs/dbraw/zinc/50/86/03/834508603.db2.gz CGTJYVFGLJUBBN-MRXNPFEDSA-N 2 1 323.437 -0.517 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC001193791195 834533221 /nfs/dbraw/zinc/53/32/21/834533221.db2.gz FLQUBNIRKXNFPY-KFWWJZLASA-N 2 1 311.426 -0.310 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002798 834554764 /nfs/dbraw/zinc/55/47/64/834554764.db2.gz ZIDOUBYWDTVCME-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002798 834554773 /nfs/dbraw/zinc/55/47/73/834554773.db2.gz ZIDOUBYWDTVCME-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002798 834554780 /nfs/dbraw/zinc/55/47/80/834554780.db2.gz ZIDOUBYWDTVCME-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002798 834554789 /nfs/dbraw/zinc/55/47/89/834554789.db2.gz ZIDOUBYWDTVCME-QWHCGFSZSA-N 2 1 307.398 -0.889 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154031 834571545 /nfs/dbraw/zinc/57/15/45/834571545.db2.gz JFEMBEYXGLUYSD-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154031 834571552 /nfs/dbraw/zinc/57/15/52/834571552.db2.gz JFEMBEYXGLUYSD-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC#CCOC)C2)C1 ZINC001194154031 834571562 /nfs/dbraw/zinc/57/15/62/834571562.db2.gz JFEMBEYXGLUYSD-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC#CCOC)C2)C1 ZINC001194154031 834571574 /nfs/dbraw/zinc/57/15/74/834571574.db2.gz JFEMBEYXGLUYSD-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001194293681 834588310 /nfs/dbraw/zinc/58/83/10/834588310.db2.gz ILBOKCQLLKIWIT-GJZGRUSLSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293681 834588311 /nfs/dbraw/zinc/58/83/11/834588311.db2.gz ILBOKCQLLKIWIT-GJZGRUSLSA-N 2 1 322.453 -0.003 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001194293681 834588313 /nfs/dbraw/zinc/58/83/13/834588313.db2.gz ILBOKCQLLKIWIT-GJZGRUSLSA-N 2 1 322.453 -0.003 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001196167725 834762928 /nfs/dbraw/zinc/76/29/28/834762928.db2.gz GDRHYQUUJPNTDY-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001196167725 834762932 /nfs/dbraw/zinc/76/29/32/834762932.db2.gz GDRHYQUUJPNTDY-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196167725 834762936 /nfs/dbraw/zinc/76/29/36/834762936.db2.gz GDRHYQUUJPNTDY-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001196167725 834762940 /nfs/dbraw/zinc/76/29/40/834762940.db2.gz GDRHYQUUJPNTDY-RRFJBIMHSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001196167720 834764302 /nfs/dbraw/zinc/76/43/02/834764302.db2.gz GDRHYQUUJPNTDY-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001196167720 834764307 /nfs/dbraw/zinc/76/43/07/834764307.db2.gz GDRHYQUUJPNTDY-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196167720 834764311 /nfs/dbraw/zinc/76/43/11/834764311.db2.gz GDRHYQUUJPNTDY-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001196167720 834764317 /nfs/dbraw/zinc/76/43/17/834764317.db2.gz GDRHYQUUJPNTDY-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298826 834775562 /nfs/dbraw/zinc/77/55/62/834775562.db2.gz CMLKBRHFZPEEJP-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)C1 ZINC001196298826 834775565 /nfs/dbraw/zinc/77/55/65/834775565.db2.gz CMLKBRHFZPEEJP-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCCN1C[C@@H](O)[C@H](NC(=O)Cc2cncn2C)C1 ZINC001197774960 834904000 /nfs/dbraw/zinc/90/40/00/834904000.db2.gz BNLPRZQJBYCGCN-ZIAGYGMSSA-N 2 1 308.382 -0.674 20 30 DBEDMP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CCC[N@@H+]2C)n1 ZINC001264025778 835001347 /nfs/dbraw/zinc/00/13/47/835001347.db2.gz XEXJLCBJEINMCV-LBPRGKRZSA-N 2 1 303.366 -0.385 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001264393603 835025570 /nfs/dbraw/zinc/02/55/70/835025570.db2.gz FMMRKBKLGAEYSE-MJBXVCDLSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NC)C1 ZINC001264393603 835025578 /nfs/dbraw/zinc/02/55/78/835025578.db2.gz FMMRKBKLGAEYSE-MJBXVCDLSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001264408653 835028593 /nfs/dbraw/zinc/02/85/93/835028593.db2.gz PMOJPZKVPMPMBK-SOUVJXGZSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001199788424 835056229 /nfs/dbraw/zinc/05/62/29/835056229.db2.gz PWFRCJVYTUCJAY-CQSZACIVSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC(=O)NCC#N ZINC001265128637 835096682 /nfs/dbraw/zinc/09/66/82/835096682.db2.gz XVJASVZFFPQIOD-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)CC(=O)NCC#N ZINC001265128637 835096691 /nfs/dbraw/zinc/09/66/91/835096691.db2.gz XVJASVZFFPQIOD-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C)CC(=O)NCC#N ZINC001265128637 835096696 /nfs/dbraw/zinc/09/66/96/835096696.db2.gz XVJASVZFFPQIOD-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC(=O)NCC#N ZINC001265127831 835097564 /nfs/dbraw/zinc/09/75/64/835097564.db2.gz KMYZGPHCYIDJJE-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC#N ZINC001265127831 835097572 /nfs/dbraw/zinc/09/75/72/835097572.db2.gz KMYZGPHCYIDJJE-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)CC(=O)NCC#N ZINC001265127831 835097581 /nfs/dbraw/zinc/09/75/81/835097581.db2.gz KMYZGPHCYIDJJE-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182800 835103873 /nfs/dbraw/zinc/10/38/73/835103873.db2.gz UGLOOYUPJLIHHJ-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182800 835103876 /nfs/dbraw/zinc/10/38/76/835103876.db2.gz UGLOOYUPJLIHHJ-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182803 835104128 /nfs/dbraw/zinc/10/41/28/835104128.db2.gz UGLOOYUPJLIHHJ-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182803 835104133 /nfs/dbraw/zinc/10/41/33/835104133.db2.gz UGLOOYUPJLIHHJ-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001265320146 835130393 /nfs/dbraw/zinc/13/03/93/835130393.db2.gz YIRSWOQQGUZFOS-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001265320146 835130402 /nfs/dbraw/zinc/13/04/02/835130402.db2.gz YIRSWOQQGUZFOS-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320146 835130409 /nfs/dbraw/zinc/13/04/09/835130409.db2.gz YIRSWOQQGUZFOS-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001265320146 835130418 /nfs/dbraw/zinc/13/04/18/835130418.db2.gz YIRSWOQQGUZFOS-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001265744619 835167198 /nfs/dbraw/zinc/16/71/98/835167198.db2.gz OLEQOJLLSDXFPL-NFOMZHRRSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001265786771 835173514 /nfs/dbraw/zinc/17/35/14/835173514.db2.gz UZMROLJHMNSSPZ-KBPBESRZSA-N 2 1 321.425 -0.797 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCN1CCNC1=O ZINC001265786771 835173519 /nfs/dbraw/zinc/17/35/19/835173519.db2.gz UZMROLJHMNSSPZ-KBPBESRZSA-N 2 1 321.425 -0.797 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639141 835200706 /nfs/dbraw/zinc/20/07/06/835200706.db2.gz HDUXULQBLRNEPP-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202115573 835234183 /nfs/dbraw/zinc/23/41/83/835234183.db2.gz JWDOHKPVMMLPES-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202115573 835234189 /nfs/dbraw/zinc/23/41/89/835234189.db2.gz JWDOHKPVMMLPES-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC ZINC001266151290 835238070 /nfs/dbraw/zinc/23/80/70/835238070.db2.gz BBPMYFUYPBKGIT-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC ZINC001266151290 835238077 /nfs/dbraw/zinc/23/80/77/835238077.db2.gz BBPMYFUYPBKGIT-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001266182637 835243039 /nfs/dbraw/zinc/24/30/39/835243039.db2.gz MTQAPFOSCNWWCZ-KGLIPLIRSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001202503427 835252338 /nfs/dbraw/zinc/25/23/38/835252338.db2.gz MWKGLHLQNVEVPB-DZGCQCFKSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001202496014 835252382 /nfs/dbraw/zinc/25/23/82/835252382.db2.gz MKLWQYJFINYPFU-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203431388 835295919 /nfs/dbraw/zinc/29/59/19/835295919.db2.gz FJLVJXXTYAXEHO-UHFFFAOYSA-N 2 1 323.441 -0.061 20 30 DBEDMP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518240 835327440 /nfs/dbraw/zinc/32/74/40/835327440.db2.gz WTPGHPFOPBEUET-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@@H+](CC(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518240 835327443 /nfs/dbraw/zinc/32/74/43/835327443.db2.gz WTPGHPFOPBEUET-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518240 835327447 /nfs/dbraw/zinc/32/74/47/835327447.db2.gz WTPGHPFOPBEUET-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](CC(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518240 835327450 /nfs/dbraw/zinc/32/74/50/835327450.db2.gz WTPGHPFOPBEUET-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551279 835335288 /nfs/dbraw/zinc/33/52/88/835335288.db2.gz OVEHZXIVPRAJBK-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551279 835335297 /nfs/dbraw/zinc/33/52/97/835335297.db2.gz OVEHZXIVPRAJBK-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551279 835335308 /nfs/dbraw/zinc/33/53/08/835335308.db2.gz OVEHZXIVPRAJBK-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266725434 835370078 /nfs/dbraw/zinc/37/00/78/835370078.db2.gz HRHNCNOBISAMEW-MCIONIFRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266752070 835376273 /nfs/dbraw/zinc/37/62/73/835376273.db2.gz NRJIJCSVPMTKBR-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770124 835381285 /nfs/dbraw/zinc/38/12/85/835381285.db2.gz OVRSDBAZUZUBCO-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770124 835381293 /nfs/dbraw/zinc/38/12/93/835381293.db2.gz OVRSDBAZUZUBCO-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266770124 835381298 /nfs/dbraw/zinc/38/12/98/835381298.db2.gz OVRSDBAZUZUBCO-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NC[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266770124 835381301 /nfs/dbraw/zinc/38/13/01/835381301.db2.gz OVRSDBAZUZUBCO-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206794154 835416485 /nfs/dbraw/zinc/41/64/85/835416485.db2.gz JKRMVWNRPRLJNW-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001267023360 835431055 /nfs/dbraw/zinc/43/10/55/835431055.db2.gz XFDMASJRWCXDSV-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267069521 835439248 /nfs/dbraw/zinc/43/92/48/835439248.db2.gz YKKHVJZPUOGNDE-ZIAGYGMSSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@H]1CCCCN1C ZINC001267271341 835472886 /nfs/dbraw/zinc/47/28/86/835472886.db2.gz TVRWDHHAHKMZGX-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001267280081 835475291 /nfs/dbraw/zinc/47/52/91/835475291.db2.gz QTXFZTWZYYLJCJ-CQSZACIVSA-N 2 1 318.421 -0.588 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001267280081 835475293 /nfs/dbraw/zinc/47/52/93/835475293.db2.gz QTXFZTWZYYLJCJ-CQSZACIVSA-N 2 1 318.421 -0.588 20 30 DBEDMP CCC[N@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001267416093 835507839 /nfs/dbraw/zinc/50/78/39/835507839.db2.gz CLUWMURMEQRKRP-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267571891 835532370 /nfs/dbraw/zinc/53/23/70/835532370.db2.gz UPZANERBGFYHTM-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267571891 835532375 /nfs/dbraw/zinc/53/23/75/835532375.db2.gz UPZANERBGFYHTM-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267571891 835532377 /nfs/dbraw/zinc/53/23/77/835532377.db2.gz UPZANERBGFYHTM-HUUCEWRRSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267594750 835538920 /nfs/dbraw/zinc/53/89/20/835538920.db2.gz BRTCUIOPNBDCHA-HUUCEWRRSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267594750 835538928 /nfs/dbraw/zinc/53/89/28/835538928.db2.gz BRTCUIOPNBDCHA-HUUCEWRRSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267594750 835538936 /nfs/dbraw/zinc/53/89/36/835538936.db2.gz BRTCUIOPNBDCHA-HUUCEWRRSA-N 2 1 320.437 -0.532 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267749548 835586099 /nfs/dbraw/zinc/58/60/99/835586099.db2.gz RJMHIDLJXDWPJP-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C2)C1=O ZINC001267749548 835586102 /nfs/dbraw/zinc/58/61/02/835586102.db2.gz RJMHIDLJXDWPJP-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP CC[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831969 835604989 /nfs/dbraw/zinc/60/49/89/835604989.db2.gz VXLCZGCKXFPAPQ-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001268423169 835689583 /nfs/dbraw/zinc/68/95/83/835689583.db2.gz KDZUSGOPQBCPKV-GFCCVEGCSA-N 2 1 305.382 -0.575 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001268629219 835758559 /nfs/dbraw/zinc/75/85/59/835758559.db2.gz UWICEIGRFNNDQL-RGDDUWESSA-N 2 1 309.410 -0.381 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C/C[NH2+]CC#CCOC)C1 ZINC001268629219 835758566 /nfs/dbraw/zinc/75/85/66/835758566.db2.gz UWICEIGRFNNDQL-RGDDUWESSA-N 2 1 309.410 -0.381 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC=C ZINC001268691036 835779069 /nfs/dbraw/zinc/77/90/69/835779069.db2.gz ZGQJRQDADZHSAQ-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC=C ZINC001268691036 835779077 /nfs/dbraw/zinc/77/90/77/835779077.db2.gz ZGQJRQDADZHSAQ-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743372 835795025 /nfs/dbraw/zinc/79/50/25/835795025.db2.gz QUFKPPIBTIRBDQ-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001268743372 835795032 /nfs/dbraw/zinc/79/50/32/835795032.db2.gz QUFKPPIBTIRBDQ-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001268743372 835795041 /nfs/dbraw/zinc/79/50/41/835795041.db2.gz QUFKPPIBTIRBDQ-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268743372 835795052 /nfs/dbraw/zinc/79/50/52/835795052.db2.gz QUFKPPIBTIRBDQ-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750608 835799587 /nfs/dbraw/zinc/79/95/87/835799587.db2.gz BOGVISDAKPDTFC-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750608 835799594 /nfs/dbraw/zinc/79/95/94/835799594.db2.gz BOGVISDAKPDTFC-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268750608 835799608 /nfs/dbraw/zinc/79/96/08/835799608.db2.gz BOGVISDAKPDTFC-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268750608 835799617 /nfs/dbraw/zinc/79/96/17/835799617.db2.gz BOGVISDAKPDTFC-STQMWFEESA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001485352090 1013148371 /nfs/dbraw/zinc/14/83/71/1013148371.db2.gz XMGYIAJLSXETQU-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001485352090 1013148375 /nfs/dbraw/zinc/14/83/75/1013148375.db2.gz XMGYIAJLSXETQU-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485352090 1013148384 /nfs/dbraw/zinc/14/83/84/1013148384.db2.gz XMGYIAJLSXETQU-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001485352090 1013148392 /nfs/dbraw/zinc/14/83/92/1013148392.db2.gz XMGYIAJLSXETQU-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373875 1013166566 /nfs/dbraw/zinc/16/65/66/1013166566.db2.gz YFUFITGXOPPTJQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373875 1013166569 /nfs/dbraw/zinc/16/65/69/1013166569.db2.gz YFUFITGXOPPTJQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485373875 1013166578 /nfs/dbraw/zinc/16/65/78/1013166578.db2.gz YFUFITGXOPPTJQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485373875 1013166587 /nfs/dbraw/zinc/16/65/87/1013166587.db2.gz YFUFITGXOPPTJQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385560 1013179077 /nfs/dbraw/zinc/17/90/77/1013179077.db2.gz LPRMYEGJEPPKAL-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385560 1013179083 /nfs/dbraw/zinc/17/90/83/1013179083.db2.gz LPRMYEGJEPPKAL-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001485390228 1013182131 /nfs/dbraw/zinc/18/21/31/1013182131.db2.gz YDHYFELBCVVDAJ-OLZOCXBDSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001485390228 1013182144 /nfs/dbraw/zinc/18/21/44/1013182144.db2.gz YDHYFELBCVVDAJ-OLZOCXBDSA-N 2 1 308.426 -0.358 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[N@@H+]3C)[C@@H]2C1 ZINC001485594949 1013288798 /nfs/dbraw/zinc/28/87/98/1013288798.db2.gz RPTBMWVHATZMKN-XQLPTFJDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485594949 1013288813 /nfs/dbraw/zinc/28/88/13/1013288813.db2.gz RPTBMWVHATZMKN-XQLPTFJDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001485594949 1013288826 /nfs/dbraw/zinc/28/88/26/1013288826.db2.gz RPTBMWVHATZMKN-XQLPTFJDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001485611299 1013294487 /nfs/dbraw/zinc/29/44/87/1013294487.db2.gz GHVLDPLXFZJVSE-YIYPIFLZSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001485611299 1013294498 /nfs/dbraw/zinc/29/44/98/1013294498.db2.gz GHVLDPLXFZJVSE-YIYPIFLZSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001485611299 1013294509 /nfs/dbraw/zinc/29/45/09/1013294509.db2.gz GHVLDPLXFZJVSE-YIYPIFLZSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001485611299 1013294517 /nfs/dbraw/zinc/29/45/17/1013294517.db2.gz GHVLDPLXFZJVSE-YIYPIFLZSA-N 2 1 319.409 -0.986 20 30 DBEDMP CC#CC[NH2+][C@@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001485648007 1013310814 /nfs/dbraw/zinc/31/08/14/1013310814.db2.gz WCOPFAUJNKIUJM-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](O)COC ZINC001485885438 1013411769 /nfs/dbraw/zinc/41/17/69/1013411769.db2.gz HZAPLUCPOHJDEL-ZNMIVQPWSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]C[C@@H](O)COC ZINC001485885438 1013411772 /nfs/dbraw/zinc/41/17/72/1013411772.db2.gz HZAPLUCPOHJDEL-ZNMIVQPWSA-N 2 1 311.426 -0.472 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001486129542 1013691258 /nfs/dbraw/zinc/69/12/58/1013691258.db2.gz QPPJRPQXPIHHQP-AAEUAGOBSA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109264 977652649 /nfs/dbraw/zinc/65/26/49/977652649.db2.gz ZSRVXGISBQSISM-INIZCTEOSA-N 2 1 316.449 -0.066 20 30 DBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117655 977657770 /nfs/dbraw/zinc/65/77/70/977657770.db2.gz WKJRDZKFFPIQOP-CVEARBPZSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117655 977657775 /nfs/dbraw/zinc/65/77/75/977657775.db2.gz WKJRDZKFFPIQOP-CVEARBPZSA-N 2 1 304.438 -0.210 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688052 978235562 /nfs/dbraw/zinc/23/55/62/978235562.db2.gz LKEMCEBFMCKXJQ-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001207688059 978236487 /nfs/dbraw/zinc/23/64/87/978236487.db2.gz LKEMCEBFMCKXJQ-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208352467 978351200 /nfs/dbraw/zinc/35/12/00/978351200.db2.gz GDUNINGBLKTJTC-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCOCCO)C1 ZINC001208352467 978351212 /nfs/dbraw/zinc/35/12/12/978351212.db2.gz GDUNINGBLKTJTC-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424416 978363789 /nfs/dbraw/zinc/36/37/89/978363789.db2.gz YLTMCOBRALQUQS-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065514 978553739 /nfs/dbraw/zinc/55/37/39/978553739.db2.gz WCGCUNGKCHSIGQ-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H](OC)C1 ZINC001213857788 978695083 /nfs/dbraw/zinc/69/50/83/978695083.db2.gz WHOJCLCFMAWLMQ-RBSFLKMASA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](OC)C1 ZINC001213857788 978695095 /nfs/dbraw/zinc/69/50/95/978695095.db2.gz WHOJCLCFMAWLMQ-RBSFLKMASA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](OC)C1 ZINC001213857788 978695106 /nfs/dbraw/zinc/69/51/06/978695106.db2.gz WHOJCLCFMAWLMQ-RBSFLKMASA-N 2 1 311.426 -0.044 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336088 978726186 /nfs/dbraw/zinc/72/61/86/978726186.db2.gz TYKKSAOIPDYLHP-MCIONIFRSA-N 2 1 306.410 -0.734 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214344215 978726401 /nfs/dbraw/zinc/72/64/01/978726401.db2.gz OSEATIYCNWSNRP-JHJVBQTASA-N 2 1 307.398 -0.843 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388617 978728895 /nfs/dbraw/zinc/72/88/95/978728895.db2.gz DVLVQQKGYSFSML-KFWWJZLASA-N 2 1 309.410 -0.597 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388617 978728898 /nfs/dbraw/zinc/72/88/98/978728898.db2.gz DVLVQQKGYSFSML-KFWWJZLASA-N 2 1 309.410 -0.597 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215929295 978778578 /nfs/dbraw/zinc/77/85/78/978778578.db2.gz DQRLNOHVYMZYSM-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#C[C@](C)([NH3+])C(=O)n1ccc(=[NH+]CCN2CCOCC2)c(N)c1 ZINC001218619176 978837184 /nfs/dbraw/zinc/83/71/84/978837184.db2.gz AMTBRODYENOVHR-INIZCTEOSA-N 2 1 317.393 -0.706 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218971286 978863022 /nfs/dbraw/zinc/86/30/22/978863022.db2.gz WBIOCVMHUAEJIC-LSDHHAIUSA-N 2 1 309.410 -0.501 20 30 DBEDMP C=C[C@@H]1C[C@]1([NH3+])C(=O)NCc1cc(=O)n2c(n1)C[NH2+]CCC2 ZINC001219803432 979019025 /nfs/dbraw/zinc/01/90/25/979019025.db2.gz UHDXIXCJJXLYFF-MEBBXXQBSA-N 2 1 303.366 -0.744 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638237 979251635 /nfs/dbraw/zinc/25/16/35/979251635.db2.gz XQRUXCKALPOSDS-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638237 979251643 /nfs/dbraw/zinc/25/16/43/979251643.db2.gz XQRUXCKALPOSDS-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947110 979478424 /nfs/dbraw/zinc/47/84/24/979478424.db2.gz RUHWVYLBNAFACV-HZPDHXFCSA-N 2 1 323.437 -0.253 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H]2CN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001221947110 979478429 /nfs/dbraw/zinc/47/84/29/979478429.db2.gz RUHWVYLBNAFACV-HZPDHXFCSA-N 2 1 323.437 -0.253 20 30 DBEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682556 979525340 /nfs/dbraw/zinc/52/53/40/979525340.db2.gz XRGFIRLWBIYEJE-MRXNPFEDSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682556 979525347 /nfs/dbraw/zinc/52/53/47/979525347.db2.gz XRGFIRLWBIYEJE-MRXNPFEDSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001226553921 979635353 /nfs/dbraw/zinc/63/53/53/979635353.db2.gz GTISPGMPPXYRCB-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001226553921 979635359 /nfs/dbraw/zinc/63/53/59/979635359.db2.gz GTISPGMPPXYRCB-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP CN1CC[NH+](CCCNC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC001331322605 979872065 /nfs/dbraw/zinc/87/20/65/979872065.db2.gz RERJKPLCRPOJHH-CKDBGZEDSA-N 2 1 319.453 -0.121 20 30 DBEDMP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1cnc[nH]1)[NH2+]CC(=O)NCC#N ZINC001331584521 979891116 /nfs/dbraw/zinc/89/11/16/979891116.db2.gz LRKBXZPPLSDPLL-RYUDHWBXSA-N 2 1 320.397 -0.335 20 30 DBEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001489155949 1014689791 /nfs/dbraw/zinc/68/97/91/1014689791.db2.gz PIIMRNVOUZHJFP-GJZGRUSLSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[NH+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001489155949 1014689796 /nfs/dbraw/zinc/68/97/96/1014689796.db2.gz PIIMRNVOUZHJFP-GJZGRUSLSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489155949 1014689802 /nfs/dbraw/zinc/68/98/02/1014689802.db2.gz PIIMRNVOUZHJFP-GJZGRUSLSA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@H+](CCO)[C@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489155949 1014689807 /nfs/dbraw/zinc/68/98/07/1014689807.db2.gz PIIMRNVOUZHJFP-GJZGRUSLSA-N 2 1 311.426 -0.212 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001489352285 1014768778 /nfs/dbraw/zinc/76/87/78/1014768778.db2.gz AQUGEFYDNFPZNS-OAHLLOKOSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001489352285 1014768788 /nfs/dbraw/zinc/76/87/88/1014768788.db2.gz AQUGEFYDNFPZNS-OAHLLOKOSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[N@@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001489352285 1014768798 /nfs/dbraw/zinc/76/87/98/1014768798.db2.gz AQUGEFYDNFPZNS-OAHLLOKOSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CC[N@H+](CCO)C1CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001489352285 1014768808 /nfs/dbraw/zinc/76/88/08/1014768808.db2.gz AQUGEFYDNFPZNS-OAHLLOKOSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001490356634 1014940347 /nfs/dbraw/zinc/94/03/47/1014940347.db2.gz JOKPLPZVWLUIKY-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001490356634 1014940357 /nfs/dbraw/zinc/94/03/57/1014940357.db2.gz JOKPLPZVWLUIKY-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001490356634 1014940369 /nfs/dbraw/zinc/94/03/69/1014940369.db2.gz JOKPLPZVWLUIKY-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490727276 1015096883 /nfs/dbraw/zinc/09/68/83/1015096883.db2.gz AQNSNSBSMQDGST-ZFWWWQNUSA-N 2 1 320.437 -0.438 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491017681 1015193307 /nfs/dbraw/zinc/19/33/07/1015193307.db2.gz SPTPDLFPWWRXJQ-HZSPNIEDSA-N 2 1 321.425 -0.264 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491036633 1015200985 /nfs/dbraw/zinc/20/09/85/1015200985.db2.gz PRZMGRMHAMWRBO-MCIONIFRSA-N 2 1 317.393 -0.434 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183164 1015278736 /nfs/dbraw/zinc/27/87/36/1015278736.db2.gz AIZYOQCGNBRSKW-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493022403 1015839914 /nfs/dbraw/zinc/83/99/14/1015839914.db2.gz OTTGBKOIMWQIIR-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001493022403 1015839916 /nfs/dbraw/zinc/83/99/16/1015839916.db2.gz OTTGBKOIMWQIIR-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001493022403 1015839919 /nfs/dbraw/zinc/83/99/19/1015839919.db2.gz OTTGBKOIMWQIIR-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001493022403 1015839921 /nfs/dbraw/zinc/83/99/21/1015839921.db2.gz OTTGBKOIMWQIIR-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357111 1015897200 /nfs/dbraw/zinc/89/72/00/1015897200.db2.gz OKNUOJOUVUZYBW-DZGCQCFKSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357111 1015897202 /nfs/dbraw/zinc/89/72/02/1015897202.db2.gz OKNUOJOUVUZYBW-DZGCQCFKSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357111 1015897204 /nfs/dbraw/zinc/89/72/04/1015897204.db2.gz OKNUOJOUVUZYBW-DZGCQCFKSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493357111 1015897205 /nfs/dbraw/zinc/89/72/05/1015897205.db2.gz OKNUOJOUVUZYBW-DZGCQCFKSA-N 2 1 320.437 -0.201 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001494169626 1016181094 /nfs/dbraw/zinc/18/10/94/1016181094.db2.gz LYCXHKWVLHUJBV-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001494169626 1016181102 /nfs/dbraw/zinc/18/11/02/1016181102.db2.gz LYCXHKWVLHUJBV-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001494169626 1016181108 /nfs/dbraw/zinc/18/11/08/1016181108.db2.gz LYCXHKWVLHUJBV-CQSZACIVSA-N 2 1 323.441 -0.252 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857033 1016459682 /nfs/dbraw/zinc/45/96/82/1016459682.db2.gz QPBPWYQRNDZIJS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857033 1016459692 /nfs/dbraw/zinc/45/96/92/1016459692.db2.gz QPBPWYQRNDZIJS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857033 1016459698 /nfs/dbraw/zinc/45/96/98/1016459698.db2.gz QPBPWYQRNDZIJS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857033 1016459702 /nfs/dbraw/zinc/45/97/02/1016459702.db2.gz QPBPWYQRNDZIJS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001495107752 1016552009 /nfs/dbraw/zinc/55/20/09/1016552009.db2.gz JYZKALNSSJAYBJ-OCCSQVGLSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001495231320 1016588987 /nfs/dbraw/zinc/58/89/87/1016588987.db2.gz DFJBRCSOSXZOQQ-YOEHRIQHSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001495301362 1016606260 /nfs/dbraw/zinc/60/62/60/1016606260.db2.gz UDVLWCQVFDMESU-CXAGYDPISA-N 2 1 320.437 -0.438 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NCC#N)CC1 ZINC001495481208 1016631730 /nfs/dbraw/zinc/63/17/30/1016631730.db2.gz GLPBOBLJWDMMQU-HDJSIYSDSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001495784927 1016720666 /nfs/dbraw/zinc/72/06/66/1016720666.db2.gz JNIHLKDJVZXUCK-KGLIPLIRSA-N 2 1 308.426 -0.581 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001439062994 1003858522 /nfs/dbraw/zinc/85/85/22/1003858522.db2.gz UMZMPQHHKKFTHU-RYUDHWBXSA-N 2 1 305.806 -0.474 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001439062994 1003858529 /nfs/dbraw/zinc/85/85/29/1003858529.db2.gz UMZMPQHHKKFTHU-RYUDHWBXSA-N 2 1 305.806 -0.474 20 30 DBEDMP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573765 1016954680 /nfs/dbraw/zinc/95/46/80/1016954680.db2.gz HQEXIUKJSDLXBC-UONOGXRCSA-N 2 1 323.441 -0.159 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001481251449 1010874819 /nfs/dbraw/zinc/87/48/19/1010874819.db2.gz AQUQBFLRPHCTGS-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481522331 1010897527 /nfs/dbraw/zinc/89/75/27/1010897527.db2.gz YUBICKRXYXGJBF-SOUVJXGZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740223 1010986223 /nfs/dbraw/zinc/98/62/23/1010986223.db2.gz MRFTZOJLHQXPPC-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740223 1010986228 /nfs/dbraw/zinc/98/62/28/1010986228.db2.gz MRFTZOJLHQXPPC-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774322 1010994688 /nfs/dbraw/zinc/99/46/88/1010994688.db2.gz JLGAMKOZWPNZTQ-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001481774322 1010994693 /nfs/dbraw/zinc/99/46/93/1010994693.db2.gz JLGAMKOZWPNZTQ-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C)CCCC1 ZINC001482226824 1011091364 /nfs/dbraw/zinc/09/13/64/1011091364.db2.gz WKMMQIKYLIKTHV-CQSZACIVSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482331224 1011119981 /nfs/dbraw/zinc/11/99/81/1011119981.db2.gz OTGYVVSIKKCSKU-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482353990 1011126844 /nfs/dbraw/zinc/12/68/44/1011126844.db2.gz MVINSMWKTUPYBT-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001482738438 1011358268 /nfs/dbraw/zinc/35/82/68/1011358268.db2.gz GKAUAMCWZUEFTP-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CCn1cccn1 ZINC001482738438 1011358279 /nfs/dbraw/zinc/35/82/79/1011358279.db2.gz GKAUAMCWZUEFTP-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001482738439 1011359232 /nfs/dbraw/zinc/35/92/32/1011359232.db2.gz GKAUAMCWZUEFTP-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CCn1cccn1 ZINC001482738439 1011359245 /nfs/dbraw/zinc/35/92/45/1011359245.db2.gz GKAUAMCWZUEFTP-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2nnnn2C)CC1 ZINC001483198297 1011788761 /nfs/dbraw/zinc/78/87/61/1011788761.db2.gz PMABHSXVAOPLPA-GFCCVEGCSA-N 2 1 319.413 -0.850 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001483933406 1012216185 /nfs/dbraw/zinc/21/61/85/1012216185.db2.gz IQWLYKXOEQHLOX-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NC ZINC001483933406 1012216194 /nfs/dbraw/zinc/21/61/94/1012216194.db2.gz IQWLYKXOEQHLOX-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001483938890 1012220747 /nfs/dbraw/zinc/22/07/47/1012220747.db2.gz FHVRGHPCTNYYTK-CYBMUJFWSA-N 2 1 318.381 -0.588 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484066609 1012298412 /nfs/dbraw/zinc/29/84/12/1012298412.db2.gz ATLNDSVOHLIDKV-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484066609 1012298426 /nfs/dbraw/zinc/29/84/26/1012298426.db2.gz ATLNDSVOHLIDKV-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066609 1012298449 /nfs/dbraw/zinc/29/84/49/1012298449.db2.gz ATLNDSVOHLIDKV-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066609 1012298465 /nfs/dbraw/zinc/29/84/65/1012298465.db2.gz ATLNDSVOHLIDKV-YOEHRIQHSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484124101 1012318253 /nfs/dbraw/zinc/31/82/53/1012318253.db2.gz FCUOSZVXOPXHSS-RHSMWYFYSA-N 2 1 320.437 -0.484 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484229849 1012426162 /nfs/dbraw/zinc/42/61/62/1012426162.db2.gz JMFJOAFXGNRCIB-INIZCTEOSA-N 2 1 322.409 -0.053 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@](O)(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001484229849 1012426171 /nfs/dbraw/zinc/42/61/71/1012426171.db2.gz JMFJOAFXGNRCIB-INIZCTEOSA-N 2 1 322.409 -0.053 20 30 DBEDMP C=CCOCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484250178 1012459710 /nfs/dbraw/zinc/45/97/10/1012459710.db2.gz CTZCMMWKNTVSFB-GOEBONIOSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484250178 1012459722 /nfs/dbraw/zinc/45/97/22/1012459722.db2.gz CTZCMMWKNTVSFB-GOEBONIOSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484250178 1012459729 /nfs/dbraw/zinc/45/97/29/1012459729.db2.gz CTZCMMWKNTVSFB-GOEBONIOSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCOC)C1 ZINC001484842739 1012873083 /nfs/dbraw/zinc/87/30/83/1012873083.db2.gz XIKIWXXFWBSXBS-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCOC)C1 ZINC001484842739 1012873089 /nfs/dbraw/zinc/87/30/89/1012873089.db2.gz XIKIWXXFWBSXBS-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484986929 1012929913 /nfs/dbraw/zinc/92/99/13/1012929913.db2.gz VYXZPJFSLOVQTG-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484986929 1012929946 /nfs/dbraw/zinc/92/99/46/1012929946.db2.gz VYXZPJFSLOVQTG-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001497209253 1017309786 /nfs/dbraw/zinc/30/97/86/1017309786.db2.gz VZUHWCNOWBMBMJ-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001497209253 1017309799 /nfs/dbraw/zinc/30/97/99/1017309799.db2.gz VZUHWCNOWBMBMJ-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498391815 1017773628 /nfs/dbraw/zinc/77/36/28/1017773628.db2.gz XFKOZOIEESGZNA-AWEZNQCLSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)CC[NH+](C)C)C1 ZINC001498391815 1017773646 /nfs/dbraw/zinc/77/36/46/1017773646.db2.gz XFKOZOIEESGZNA-AWEZNQCLSA-N 2 1 306.410 -0.637 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863683 1017877697 /nfs/dbraw/zinc/87/76/97/1017877697.db2.gz MQWNYNGAGQOPPQ-CHWSQXEVSA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@H+](C)CCO2)CCOCC1 ZINC001500565916 1018353436 /nfs/dbraw/zinc/35/34/36/1018353436.db2.gz WJOLTQRQIJIEFN-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCC[NH2+]C1(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CCOCC1 ZINC001500565916 1018353442 /nfs/dbraw/zinc/35/34/42/1018353442.db2.gz WJOLTQRQIJIEFN-CQSZACIVSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001501462257 1018755917 /nfs/dbraw/zinc/75/59/17/1018755917.db2.gz PEWIBAOJIUHFNJ-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@H]1CCOC1 ZINC001501462257 1018755923 /nfs/dbraw/zinc/75/59/23/1018755923.db2.gz PEWIBAOJIUHFNJ-CVEARBPZSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCO1 ZINC001502058806 1018959152 /nfs/dbraw/zinc/95/91/52/1018959152.db2.gz ZGQUAWURFZJSSB-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCO1 ZINC001502058806 1018959168 /nfs/dbraw/zinc/95/91/68/1018959168.db2.gz ZGQUAWURFZJSSB-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502086308 1018986031 /nfs/dbraw/zinc/98/60/31/1018986031.db2.gz BZYBKCZHPURCFB-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001502754873 1019168159 /nfs/dbraw/zinc/16/81/59/1019168159.db2.gz YMQBLUHQTANBOE-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001503473323 1019248051 /nfs/dbraw/zinc/24/80/51/1019248051.db2.gz OMOQRFJMIVNHIP-OLZOCXBDSA-N 2 1 309.414 -0.548 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506812201 1019942834 /nfs/dbraw/zinc/94/28/34/1019942834.db2.gz RZBZMKOOEJJRMI-XQLPTFJDSA-N 2 1 322.453 -0.077 20 30 DBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001506976945 1020031480 /nfs/dbraw/zinc/03/14/80/1020031480.db2.gz JPQCDSCRCRHVLW-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[NH+](C)CCOCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001506976945 1020031492 /nfs/dbraw/zinc/03/14/92/1020031492.db2.gz JPQCDSCRCRHVLW-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[N@@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001506976945 1020031510 /nfs/dbraw/zinc/03/15/10/1020031510.db2.gz JPQCDSCRCRHVLW-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[N@H+](C)CCOCCNC(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001506976945 1020031522 /nfs/dbraw/zinc/03/15/22/1020031522.db2.gz JPQCDSCRCRHVLW-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001507451532 1020330111 /nfs/dbraw/zinc/33/01/11/1020330111.db2.gz UCJVVVYJWOYVBF-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP CN(C(=O)[C@H]1CCC[N@H+]1C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001508124767 1020529664 /nfs/dbraw/zinc/52/96/64/1020529664.db2.gz KPIVYNQSZJQYLE-WXRRBKDZSA-N 2 1 307.398 -0.701 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001580877090 1020812272 /nfs/dbraw/zinc/81/22/72/1020812272.db2.gz GTGJOQYOFSLJLQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@H](CC)[NH+](C)C ZINC001580877090 1020812279 /nfs/dbraw/zinc/81/22/79/1020812279.db2.gz GTGJOQYOFSLJLQ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@@H+](C)CCC ZINC001522757025 1021860091 /nfs/dbraw/zinc/86/00/91/1021860091.db2.gz PEEVPDUNILBDNJ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@H+](C)CCC ZINC001522757025 1021860105 /nfs/dbraw/zinc/86/01/05/1021860105.db2.gz PEEVPDUNILBDNJ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)CCC ZINC001522757025 1021860106 /nfs/dbraw/zinc/86/01/06/1021860106.db2.gz PEEVPDUNILBDNJ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)CCC ZINC001522757025 1021860108 /nfs/dbraw/zinc/86/01/08/1021860108.db2.gz PEEVPDUNILBDNJ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[C@H](CCN1CC[NH+](C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001565496646 1024056963 /nfs/dbraw/zinc/05/69/63/1024056963.db2.gz NFDHLTKZACVKBO-OAHLLOKOSA-N 2 1 309.458 -0.123 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001565878911 1024087891 /nfs/dbraw/zinc/08/78/91/1024087891.db2.gz SCNXGJKLZJLCMJ-JOCQHMNTSA-N 2 1 318.381 -0.684 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001565945416 1024093581 /nfs/dbraw/zinc/09/35/81/1024093581.db2.gz MOAFYUWDEDHUMW-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001565945416 1024093597 /nfs/dbraw/zinc/09/35/97/1024093597.db2.gz MOAFYUWDEDHUMW-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001566573176 1024259786 /nfs/dbraw/zinc/25/97/86/1024259786.db2.gz WAHPGIONBUHPGI-UHFFFAOYSA-N 2 1 320.437 -0.340 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001567118721 1024531411 /nfs/dbraw/zinc/53/14/11/1024531411.db2.gz WPTAUXMSKGTRRT-HUUCEWRRSA-N 2 1 309.410 -0.595 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001567118721 1024531425 /nfs/dbraw/zinc/53/14/25/1024531425.db2.gz WPTAUXMSKGTRRT-HUUCEWRRSA-N 2 1 309.410 -0.595 20 30 DBEDMP C[C@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001567227504 1024583221 /nfs/dbraw/zinc/58/32/21/1024583221.db2.gz WAFZKDHNDGWDCO-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567281698 1024607758 /nfs/dbraw/zinc/60/77/58/1024607758.db2.gz FCVCNTQTIGOSCM-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001567281698 1024607769 /nfs/dbraw/zinc/60/77/69/1024607769.db2.gz FCVCNTQTIGOSCM-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001567281698 1024607783 /nfs/dbraw/zinc/60/77/83/1024607783.db2.gz FCVCNTQTIGOSCM-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001567281698 1024607792 /nfs/dbraw/zinc/60/77/92/1024607792.db2.gz FCVCNTQTIGOSCM-HZSPNIEDSA-N 2 1 308.426 -0.488 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001567319003 1024630476 /nfs/dbraw/zinc/63/04/76/1024630476.db2.gz WBTPGLQPUDXUNS-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CC[NH+](C)C2)C1=O ZINC001567319003 1024630499 /nfs/dbraw/zinc/63/04/99/1024630499.db2.gz WBTPGLQPUDXUNS-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001567319003 1024630507 /nfs/dbraw/zinc/63/05/07/1024630507.db2.gz WBTPGLQPUDXUNS-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CC[N@@H+](C)C2)C1=O ZINC001567319003 1024630520 /nfs/dbraw/zinc/63/05/20/1024630520.db2.gz WBTPGLQPUDXUNS-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001567318852 1024631124 /nfs/dbraw/zinc/63/11/24/1024631124.db2.gz QCMKJDUGOFPMRR-AWEZNQCLSA-N 2 1 308.426 -0.083 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C[NH+]2CCCC2)C1=O ZINC001567318852 1024631146 /nfs/dbraw/zinc/63/11/46/1024631146.db2.gz QCMKJDUGOFPMRR-AWEZNQCLSA-N 2 1 308.426 -0.083 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567415935 1024679008 /nfs/dbraw/zinc/67/90/08/1024679008.db2.gz RATAENSFACXQGW-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NCC#N ZINC001567430081 1024694936 /nfs/dbraw/zinc/69/49/36/1024694936.db2.gz NFKPDTZXIMVUBH-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CCC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)CC(=O)NCC#N ZINC001567430081 1024694959 /nfs/dbraw/zinc/69/49/59/1024694959.db2.gz NFKPDTZXIMVUBH-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001567515994 1024758965 /nfs/dbraw/zinc/75/89/65/1024758965.db2.gz FPZMUQWPQORVQT-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001567741670 1024817660 /nfs/dbraw/zinc/81/76/60/1024817660.db2.gz HUJFXXKLTAPLMS-LSDHHAIUSA-N 2 1 322.453 -0.144 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925259 1024846976 /nfs/dbraw/zinc/84/69/76/1024846976.db2.gz KLMJWVFQEQMJDQ-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925259 1024846977 /nfs/dbraw/zinc/84/69/77/1024846977.db2.gz KLMJWVFQEQMJDQ-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C[C@H](O)COC ZINC001568277620 1024885337 /nfs/dbraw/zinc/88/53/37/1024885337.db2.gz BSYWOBLSAIJXHX-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C[C@H](O)COC ZINC001568277620 1024885341 /nfs/dbraw/zinc/88/53/41/1024885341.db2.gz BSYWOBLSAIJXHX-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001568277623 1024887171 /nfs/dbraw/zinc/88/71/71/1024887171.db2.gz BSYWOBLSAIJXHX-ZNMIVQPWSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C[C@@H](O)COC ZINC001568277623 1024887174 /nfs/dbraw/zinc/88/71/74/1024887174.db2.gz BSYWOBLSAIJXHX-ZNMIVQPWSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C ZINC001568642031 1024975094 /nfs/dbraw/zinc/97/50/94/1024975094.db2.gz FISCZLAXYCZIKT-ZFWWWQNUSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cnnn1C ZINC001568642031 1024975106 /nfs/dbraw/zinc/97/51/06/1024975106.db2.gz FISCZLAXYCZIKT-ZFWWWQNUSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001568997942 1025110058 /nfs/dbraw/zinc/11/00/58/1025110058.db2.gz PYVASCVMRFCEDF-MCIONIFRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)N(C)C ZINC001568997942 1025110061 /nfs/dbraw/zinc/11/00/61/1025110061.db2.gz PYVASCVMRFCEDF-MCIONIFRSA-N 2 1 308.426 -0.345 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001569069446 1025134791 /nfs/dbraw/zinc/13/47/91/1025134791.db2.gz DJCSIAHGQSCLBN-WCQYABFASA-N 2 1 307.398 -0.023 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001569136122 1025155541 /nfs/dbraw/zinc/15/55/41/1025155541.db2.gz MDRNHDUGTYUFCT-GXTWGEPZSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001569136122 1025155543 /nfs/dbraw/zinc/15/55/43/1025155543.db2.gz MDRNHDUGTYUFCT-GXTWGEPZSA-N 2 1 311.430 -0.351 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O ZINC001569211080 1025171014 /nfs/dbraw/zinc/17/10/14/1025171014.db2.gz NKJHDNPBCQWVQT-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H]1CCCNC1=O ZINC001569211080 1025171027 /nfs/dbraw/zinc/17/10/27/1025171027.db2.gz NKJHDNPBCQWVQT-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001569735504 1025314917 /nfs/dbraw/zinc/31/49/17/1025314917.db2.gz AHTMAGVNCMGRPA-OAHLLOKOSA-N 2 1 323.437 -0.157 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001569757125 1025335099 /nfs/dbraw/zinc/33/50/99/1025335099.db2.gz BBFWISITTSCFCD-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001569757125 1025335115 /nfs/dbraw/zinc/33/51/15/1025335115.db2.gz BBFWISITTSCFCD-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001569757125 1025335132 /nfs/dbraw/zinc/33/51/32/1025335132.db2.gz BBFWISITTSCFCD-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001570288737 1025558336 /nfs/dbraw/zinc/55/83/36/1025558336.db2.gz BBOJLBYZTAWSMF-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001570294509 1025565477 /nfs/dbraw/zinc/56/54/77/1025565477.db2.gz WEBKRKKKTHBCCH-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001570294509 1025565510 /nfs/dbraw/zinc/56/55/10/1025565510.db2.gz WEBKRKKKTHBCCH-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570294279 1025568044 /nfs/dbraw/zinc/56/80/44/1025568044.db2.gz RFIBTHNFDNJTMC-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](CC)C(N)=O ZINC001570460429 1025621870 /nfs/dbraw/zinc/62/18/70/1025621870.db2.gz ARSXZZUKNMYLNV-MJBXVCDLSA-N 2 1 308.426 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H](CC)C(N)=O ZINC001570460429 1025621891 /nfs/dbraw/zinc/62/18/91/1025621891.db2.gz ARSXZZUKNMYLNV-MJBXVCDLSA-N 2 1 308.426 -0.168 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545258 1025652866 /nfs/dbraw/zinc/65/28/66/1025652866.db2.gz OOFNYLUJJDASKV-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001570545258 1025652888 /nfs/dbraw/zinc/65/28/88/1025652888.db2.gz OOFNYLUJJDASKV-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001570545258 1025652916 /nfs/dbraw/zinc/65/29/16/1025652916.db2.gz OOFNYLUJJDASKV-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001570545258 1025652940 /nfs/dbraw/zinc/65/29/40/1025652940.db2.gz OOFNYLUJJDASKV-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545257 1025655453 /nfs/dbraw/zinc/65/54/53/1025655453.db2.gz OOFNYLUJJDASKV-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001570545257 1025655467 /nfs/dbraw/zinc/65/54/67/1025655467.db2.gz OOFNYLUJJDASKV-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001570545257 1025655482 /nfs/dbraw/zinc/65/54/82/1025655482.db2.gz OOFNYLUJJDASKV-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001570545257 1025655508 /nfs/dbraw/zinc/65/55/08/1025655508.db2.gz OOFNYLUJJDASKV-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570710288 1025713710 /nfs/dbraw/zinc/71/37/10/1025713710.db2.gz FVJYAMDILJRWCB-HIFRSBDPSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001570710288 1025713749 /nfs/dbraw/zinc/71/37/49/1025713749.db2.gz FVJYAMDILJRWCB-HIFRSBDPSA-N 2 1 320.437 -0.486 20 30 DBEDMP COCC#CC[N@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001570742868 1025724702 /nfs/dbraw/zinc/72/47/02/1025724702.db2.gz XZIBTXYAYNPUFO-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001570742868 1025724727 /nfs/dbraw/zinc/72/47/27/1025724727.db2.gz XZIBTXYAYNPUFO-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC(=O)NCC#N ZINC001570747879 1025731986 /nfs/dbraw/zinc/73/19/86/1025731986.db2.gz MQRHCUXPBYKUAG-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[C@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CC(=O)NCC#N ZINC001570747879 1025732007 /nfs/dbraw/zinc/73/20/07/1025732007.db2.gz MQRHCUXPBYKUAG-GFCCVEGCSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001570785772 1025756257 /nfs/dbraw/zinc/75/62/57/1025756257.db2.gz QNOAWZBHCSURCM-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH2+]CCCOC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001570785772 1025756289 /nfs/dbraw/zinc/75/62/89/1025756289.db2.gz QNOAWZBHCSURCM-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001571392959 1025921805 /nfs/dbraw/zinc/92/18/05/1025921805.db2.gz GYWZFMTZXOILHZ-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001571432672 1025988927 /nfs/dbraw/zinc/98/89/27/1025988927.db2.gz SWIXQSNIILUJOP-GJZGRUSLSA-N 2 1 311.426 -0.423 20 30 DBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001571432674 1025992445 /nfs/dbraw/zinc/99/24/45/1025992445.db2.gz SWIXQSNIILUJOP-LSDHHAIUSA-N 2 1 311.426 -0.423 20 30 DBEDMP C#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001571608531 1026123045 /nfs/dbraw/zinc/12/30/45/1026123045.db2.gz JUHVQTIWWWJVNE-HUUCEWRRSA-N 2 1 311.426 -0.661 20 30 DBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001571608530 1026124961 /nfs/dbraw/zinc/12/49/61/1026124961.db2.gz JUHVQTIWWWJVNE-GJZGRUSLSA-N 2 1 311.426 -0.661 20 30 DBEDMP C#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001571608529 1026125225 /nfs/dbraw/zinc/12/52/25/1026125225.db2.gz JUHVQTIWWWJVNE-CABCVRRESA-N 2 1 311.426 -0.661 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001571654741 1026135903 /nfs/dbraw/zinc/13/59/03/1026135903.db2.gz MFIRTYAUKMTXSO-JXQTWKCFSA-N 2 1 308.426 -0.038 20 30 DBEDMP C#CC[C@]1(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CCC[NH2+]1 ZINC001574516846 1026793765 /nfs/dbraw/zinc/79/37/65/1026793765.db2.gz IXHCYFHNWKBGOH-XJKSGUPXSA-N 2 1 306.410 -0.412 20 30 DBEDMP CNC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(=O)NC)C2)C1 ZINC000625480051 374656893 /nfs/dbraw/zinc/65/68/93/374656893.db2.gz UKVMKRJHFYRCHW-ZIAGYGMSSA-N 2 1 306.410 -0.874 20 30 DBEDMP C=C(CNC(=O)[C@@H]1CCC[NH+]1C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000620747495 382455019 /nfs/dbraw/zinc/45/50/19/382455019.db2.gz AXPDIZMKLYTVNV-KBPBESRZSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=C(CNC(=O)[C@H]1CCC[NH+]1C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000620747497 382455149 /nfs/dbraw/zinc/45/51/49/382455149.db2.gz AXPDIZMKLYTVNV-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NCC(F)(F)C[NH3+])CC1 ZINC000419729583 393591231 /nfs/dbraw/zinc/59/12/31/393591231.db2.gz OUUWFVYWFIQVHU-UHFFFAOYSA-N 2 1 318.368 -0.147 20 30 DBEDMP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NCC#N)CC2)CC1 ZINC000330834344 334814724 /nfs/dbraw/zinc/81/47/24/334814724.db2.gz HTXYJZIZLDNFPL-UHFFFAOYSA-N 2 1 307.442 -0.024 20 30 DBEDMP NC(=O)c1cccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c1 ZINC000264084094 534491439 /nfs/dbraw/zinc/49/14/39/534491439.db2.gz IMIAOTZVKWGNJB-UHFFFAOYSA-N 2 1 319.409 -0.088 20 30 DBEDMP COC1(CNC(=[NH2+])NCCC[NH+]2CCOCC2)CCOCC1 ZINC000160620485 664107415 /nfs/dbraw/zinc/10/74/15/664107415.db2.gz QIJGRVWUSRVNGP-UHFFFAOYSA-N 2 1 314.430 -0.191 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022220980 664239248 /nfs/dbraw/zinc/23/92/48/664239248.db2.gz VFWLMTOUZKIJJH-CRWXNKLISA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001022220980 664239252 /nfs/dbraw/zinc/23/92/52/664239252.db2.gz VFWLMTOUZKIJJH-CRWXNKLISA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001022221513 664239799 /nfs/dbraw/zinc/23/97/99/664239799.db2.gz HUESTCKVDLCTEU-CRWXNKLISA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001022221513 664239803 /nfs/dbraw/zinc/23/98/03/664239803.db2.gz HUESTCKVDLCTEU-CRWXNKLISA-N 2 1 306.410 -0.415 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1C ZINC000928557041 671324064 /nfs/dbraw/zinc/32/40/64/671324064.db2.gz YKFGIRMIHXQKMW-KPWCQOOUSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2C)[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928557041 671324067 /nfs/dbraw/zinc/32/40/67/671324067.db2.gz YKFGIRMIHXQKMW-KPWCQOOUSA-N 2 1 306.410 -0.571 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[N@H+]2C)[C@@H]1C(=O)NC[C@H]1CC[NH+]1C ZINC000928557041 671324069 /nfs/dbraw/zinc/32/40/69/671324069.db2.gz YKFGIRMIHXQKMW-KPWCQOOUSA-N 2 1 306.410 -0.571 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCC([N@@H+](C)CC(N)=O)CC2)CC1 ZINC000985805327 671529419 /nfs/dbraw/zinc/52/94/19/671529419.db2.gz WJAFKDGSFYYDOQ-UHFFFAOYSA-N 2 1 320.437 -0.260 20 30 DBEDMP C[NH+]=C(NCCN1CCCCC1)NC[C@H]1C[NH+]2CCN1CC2 ZINC000262757791 671572684 /nfs/dbraw/zinc/57/26/84/671572684.db2.gz CAEAHTYSKFOVJB-HNNXBMFYSA-N 2 1 308.474 -0.363 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2CC)CC1 ZINC000897675172 672505941 /nfs/dbraw/zinc/50/59/41/672505941.db2.gz SRJWUUGOIRJAHT-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2CC)CC1 ZINC000897675172 672505955 /nfs/dbraw/zinc/50/59/55/672505955.db2.gz SRJWUUGOIRJAHT-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000994751019 677509729 /nfs/dbraw/zinc/50/97/29/677509729.db2.gz LHXPSHJFMHOKPS-LSDHHAIUSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000994751019 677509731 /nfs/dbraw/zinc/50/97/31/677509731.db2.gz LHXPSHJFMHOKPS-LSDHHAIUSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000994751019 677509733 /nfs/dbraw/zinc/50/97/33/677509733.db2.gz LHXPSHJFMHOKPS-LSDHHAIUSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000994751019 677509735 /nfs/dbraw/zinc/50/97/35/677509735.db2.gz LHXPSHJFMHOKPS-LSDHHAIUSA-N 2 1 318.421 -0.495 20 30 DBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856541 677636600 /nfs/dbraw/zinc/63/66/00/677636600.db2.gz BREFFISVLQMRQB-GULBITTBSA-N 2 1 303.406 -0.079 20 30 DBEDMP CC#CC[NH+]1CC(CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031856541 677636601 /nfs/dbraw/zinc/63/66/01/677636601.db2.gz BREFFISVLQMRQB-GULBITTBSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940807017 677715676 /nfs/dbraw/zinc/71/56/76/677715676.db2.gz FWTDOJOJQZUHFS-UONOGXRCSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940807017 677715679 /nfs/dbraw/zinc/71/56/79/677715679.db2.gz FWTDOJOJQZUHFS-UONOGXRCSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC(N)=O)CC1(C)C ZINC000940807016 677715848 /nfs/dbraw/zinc/71/58/48/677715848.db2.gz FWTDOJOJQZUHFS-KBPBESRZSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CC(N)=O)CC1(C)C ZINC000940807016 677715852 /nfs/dbraw/zinc/71/58/52/677715852.db2.gz FWTDOJOJQZUHFS-KBPBESRZSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)CC1 ZINC000945180807 678144253 /nfs/dbraw/zinc/14/42/53/678144253.db2.gz LVIKPGAQNPMAJP-UKRRQHHQSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC000945180807 678144254 /nfs/dbraw/zinc/14/42/54/678144254.db2.gz LVIKPGAQNPMAJP-UKRRQHHQSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001298558007 805816284 /nfs/dbraw/zinc/81/62/84/805816284.db2.gz WGZNMMZSQNHIQP-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C ZINC001298558007 805816294 /nfs/dbraw/zinc/81/62/94/805816294.db2.gz WGZNMMZSQNHIQP-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001298558007 805816303 /nfs/dbraw/zinc/81/63/03/805816303.db2.gz WGZNMMZSQNHIQP-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001298558007 805816312 /nfs/dbraw/zinc/81/63/12/805816312.db2.gz WGZNMMZSQNHIQP-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001316614415 805968757 /nfs/dbraw/zinc/96/87/57/805968757.db2.gz XJBLYCQTCKVRBH-XQQFMLRXSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796934 805989332 /nfs/dbraw/zinc/98/93/32/805989332.db2.gz WHXWSXMSSYDOOD-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001316796934 805989336 /nfs/dbraw/zinc/98/93/36/805989336.db2.gz WHXWSXMSSYDOOD-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001316796934 805989344 /nfs/dbraw/zinc/98/93/44/805989344.db2.gz WHXWSXMSSYDOOD-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001316796934 805989350 /nfs/dbraw/zinc/98/93/50/805989350.db2.gz WHXWSXMSSYDOOD-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001317060265 806079548 /nfs/dbraw/zinc/07/95/48/806079548.db2.gz ZURUJBYGCZKOSH-LBPRGKRZSA-N 2 1 307.398 -0.699 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317092439 806087807 /nfs/dbraw/zinc/08/78/07/806087807.db2.gz IBGMBXXWJYJJJN-XUXIUFHCSA-N 2 1 308.426 -0.134 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001317127159 806093519 /nfs/dbraw/zinc/09/35/19/806093519.db2.gz DIHIBVSRBGTXJM-ZNMIVQPWSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001317150801 806099563 /nfs/dbraw/zinc/09/95/63/806099563.db2.gz OQDFBPKYVNMVHO-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001317150801 806099571 /nfs/dbraw/zinc/09/95/71/806099571.db2.gz OQDFBPKYVNMVHO-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[NH+]1C ZINC001317210925 806107558 /nfs/dbraw/zinc/10/75/58/806107558.db2.gz MJIIKMQNBIVYTP-SBJFKYEJSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001317210925 806107561 /nfs/dbraw/zinc/10/75/61/806107561.db2.gz MJIIKMQNBIVYTP-SBJFKYEJSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCC[N@H+]1C ZINC001317210925 806107562 /nfs/dbraw/zinc/10/75/62/806107562.db2.gz MJIIKMQNBIVYTP-SBJFKYEJSA-N 2 1 320.437 -0.182 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317177920 806103672 /nfs/dbraw/zinc/10/36/72/806103672.db2.gz JZJMHNYEZDDISQ-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001317177920 806103676 /nfs/dbraw/zinc/10/36/76/806103676.db2.gz JZJMHNYEZDDISQ-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001317213664 806106841 /nfs/dbraw/zinc/10/68/41/806106841.db2.gz RCAKZEUVUVTLBT-QMIVOQANSA-N 2 1 320.437 -0.489 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317392706 806143253 /nfs/dbraw/zinc/14/32/53/806143253.db2.gz FFYFIVLZCINAQO-KGLIPLIRSA-N 2 1 323.441 -0.017 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317414419 806146381 /nfs/dbraw/zinc/14/63/81/806146381.db2.gz TWGCEEGCAIYMPY-NSHDSACASA-N 2 1 306.370 -0.684 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC(=O)NC)CC1 ZINC001317492255 806165905 /nfs/dbraw/zinc/16/59/05/806165905.db2.gz JQQAMLPSTOKIDD-UHFFFAOYSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC(=O)NC)CC1 ZINC001317492255 806165908 /nfs/dbraw/zinc/16/59/08/806165908.db2.gz JQQAMLPSTOKIDD-UHFFFAOYSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317508994 806171966 /nfs/dbraw/zinc/17/19/66/806171966.db2.gz KZSJGMCGDSEKFB-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317508994 806171969 /nfs/dbraw/zinc/17/19/69/806171969.db2.gz KZSJGMCGDSEKFB-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001317529463 806178006 /nfs/dbraw/zinc/17/80/06/806178006.db2.gz XHULRMCFRQTQHY-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001317529463 806178009 /nfs/dbraw/zinc/17/80/09/806178009.db2.gz XHULRMCFRQTQHY-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001317529463 806178014 /nfs/dbraw/zinc/17/80/14/806178014.db2.gz XHULRMCFRQTQHY-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001317529463 806178018 /nfs/dbraw/zinc/17/80/18/806178018.db2.gz XHULRMCFRQTQHY-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317511934 806173722 /nfs/dbraw/zinc/17/37/22/806173722.db2.gz FCKGDPHCIGNPPA-ZBFHGGJFSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317511934 806173727 /nfs/dbraw/zinc/17/37/27/806173727.db2.gz FCKGDPHCIGNPPA-ZBFHGGJFSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536210 806180759 /nfs/dbraw/zinc/18/07/59/806180759.db2.gz KLUQWUCDEGDXEK-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536208 806180828 /nfs/dbraw/zinc/18/08/28/806180828.db2.gz KLUQWUCDEGDXEK-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317593239 806198318 /nfs/dbraw/zinc/19/83/18/806198318.db2.gz QNEAZFVPVUDHER-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP CC[C@H](C(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001317790157 806233273 /nfs/dbraw/zinc/23/32/73/806233273.db2.gz SMSLSAUXHMKUBE-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001318443097 806299939 /nfs/dbraw/zinc/29/99/39/806299939.db2.gz RCSQFXTZOICOCN-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001318443097 806299943 /nfs/dbraw/zinc/29/99/43/806299943.db2.gz RCSQFXTZOICOCN-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443097 806299949 /nfs/dbraw/zinc/29/99/49/806299949.db2.gz RCSQFXTZOICOCN-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443097 806299951 /nfs/dbraw/zinc/29/99/51/806299951.db2.gz RCSQFXTZOICOCN-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318484144 806304994 /nfs/dbraw/zinc/30/49/94/806304994.db2.gz VNIAIPCRNSZSDB-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318484144 806304998 /nfs/dbraw/zinc/30/49/98/806304998.db2.gz VNIAIPCRNSZSDB-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001319084301 806343977 /nfs/dbraw/zinc/34/39/77/806343977.db2.gz CTMYYQHAIUKWHD-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001319473931 806383425 /nfs/dbraw/zinc/38/34/25/806383425.db2.gz WCOLSKXBHZEWMW-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321755264 806666889 /nfs/dbraw/zinc/66/68/89/806666889.db2.gz BFBNLTCGEZPNEV-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000876808213 806806854 /nfs/dbraw/zinc/80/68/54/806806854.db2.gz OYLKBFYRNXSAHG-NWDGAFQWSA-N 2 1 314.817 -0.121 20 30 DBEDMP NC(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000877000896 806819396 /nfs/dbraw/zinc/81/93/96/806819396.db2.gz XBHAOLPKNDHPIH-AWEZNQCLSA-N 2 1 306.410 -0.555 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112044 806825299 /nfs/dbraw/zinc/82/52/99/806825299.db2.gz GBTWUFRCYXBFIS-HOTGVXAUSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112044 806825308 /nfs/dbraw/zinc/82/53/08/806825308.db2.gz GBTWUFRCYXBFIS-HOTGVXAUSA-N 2 1 323.437 -0.159 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278289 806959169 /nfs/dbraw/zinc/95/91/69/806959169.db2.gz UFDQLYCMQUTMRE-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP CC#CC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278178566 803764154 /nfs/dbraw/zinc/76/41/54/803764154.db2.gz IPSOOWOJCLIESR-AWEZNQCLSA-N 2 1 313.361 -0.029 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278201400 803767444 /nfs/dbraw/zinc/76/74/44/803767444.db2.gz FZWWXUXTKNFKBK-GJZGRUSLSA-N 2 1 311.426 -0.423 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC#CCOC ZINC001278201394 803767463 /nfs/dbraw/zinc/76/74/63/803767463.db2.gz FZWWXUXTKNFKBK-CABCVRRESA-N 2 1 311.426 -0.423 20 30 DBEDMP C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001278262654 803772062 /nfs/dbraw/zinc/77/20/62/803772062.db2.gz DKCWUBGEVKCVGH-OCCSQVGLSA-N 2 1 321.425 -0.311 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278416162 803789703 /nfs/dbraw/zinc/78/97/03/803789703.db2.gz KNKFWZRYYRQENH-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001278782147 803824896 /nfs/dbraw/zinc/82/48/96/803824896.db2.gz RMRBQDQEMMNBLI-BFYDXBDKSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001278782147 803824904 /nfs/dbraw/zinc/82/49/04/803824904.db2.gz RMRBQDQEMMNBLI-BFYDXBDKSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001278782147 803824913 /nfs/dbraw/zinc/82/49/13/803824913.db2.gz RMRBQDQEMMNBLI-BFYDXBDKSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001278786320 803825566 /nfs/dbraw/zinc/82/55/66/803825566.db2.gz AODCODNMWXXFCI-MRXNPFEDSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNS(=O)(=O)CC ZINC000303895454 803836036 /nfs/dbraw/zinc/83/60/36/803836036.db2.gz PMVGCDDHAKEKMB-LLVKDONJSA-N 2 1 305.448 -0.686 20 30 DBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOC[C@H]1CCCO1 ZINC000304750070 803837226 /nfs/dbraw/zinc/83/72/26/803837226.db2.gz ICHSNYDPFBLQPS-CQSZACIVSA-N 2 1 314.430 -0.191 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001278882282 803856495 /nfs/dbraw/zinc/85/64/95/803856495.db2.gz DDSGDVBRLNGTEA-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001278882282 803856505 /nfs/dbraw/zinc/85/65/05/803856505.db2.gz DDSGDVBRLNGTEA-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001278882282 803856514 /nfs/dbraw/zinc/85/65/14/803856514.db2.gz DDSGDVBRLNGTEA-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001278882282 803856523 /nfs/dbraw/zinc/85/65/23/803856523.db2.gz DDSGDVBRLNGTEA-HUUCEWRRSA-N 2 1 311.426 -0.519 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509604 803893402 /nfs/dbraw/zinc/89/34/02/803893402.db2.gz KQNIGGJPXUGTOG-INIZCTEOSA-N 2 1 311.426 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)CC[NH+](C)C)C1 ZINC001279509604 803893409 /nfs/dbraw/zinc/89/34/09/803893409.db2.gz KQNIGGJPXUGTOG-INIZCTEOSA-N 2 1 311.426 -0.469 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCO1 ZINC001280565589 803980779 /nfs/dbraw/zinc/98/07/79/803980779.db2.gz FZMJKISLSSRADR-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001281462047 804177446 /nfs/dbraw/zinc/17/74/46/804177446.db2.gz MOSJQKFGEHZHID-OCCSQVGLSA-N 2 1 319.409 -0.070 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281603664 804194873 /nfs/dbraw/zinc/19/48/73/804194873.db2.gz VRFQDANLHGWMAL-AWEZNQCLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281603664 804194878 /nfs/dbraw/zinc/19/48/78/804194878.db2.gz VRFQDANLHGWMAL-AWEZNQCLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000764327093 804281910 /nfs/dbraw/zinc/28/19/10/804281910.db2.gz PVQLTJUIIJYILP-MRXNPFEDSA-N 2 1 304.438 -0.020 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001282454567 804285550 /nfs/dbraw/zinc/28/55/50/804285550.db2.gz DLXCRANXYJUSFE-GXTWGEPZSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001282454567 804285560 /nfs/dbraw/zinc/28/55/60/804285560.db2.gz DLXCRANXYJUSFE-GXTWGEPZSA-N 2 1 311.430 -0.351 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282739273 804308771 /nfs/dbraw/zinc/30/87/71/804308771.db2.gz TUHKZLBSIALOIJ-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001282739273 804308781 /nfs/dbraw/zinc/30/87/81/804308781.db2.gz TUHKZLBSIALOIJ-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001283061464 804400428 /nfs/dbraw/zinc/40/04/28/804400428.db2.gz AIHDNRQNIDZFOJ-HDJSIYSDSA-N 2 1 319.409 -0.022 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283087712 804410040 /nfs/dbraw/zinc/41/00/40/804410040.db2.gz YZBJEXXIYWKPGP-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001283087712 804410045 /nfs/dbraw/zinc/41/00/45/804410045.db2.gz YZBJEXXIYWKPGP-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283617761 804539751 /nfs/dbraw/zinc/53/97/51/804539751.db2.gz LHKDVOABGVIKKU-GJZGRUSLSA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283617761 804539754 /nfs/dbraw/zinc/53/97/54/804539754.db2.gz LHKDVOABGVIKKU-GJZGRUSLSA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001285378407 804867342 /nfs/dbraw/zinc/86/73/42/804867342.db2.gz AUGQBQXSDFGATE-HNNXBMFYSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCN(C)C(=O)CC[NH+](C)C ZINC001285378407 804867349 /nfs/dbraw/zinc/86/73/49/804867349.db2.gz AUGQBQXSDFGATE-HNNXBMFYSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](CC)[NH+](C)C ZINC001292917613 805359018 /nfs/dbraw/zinc/35/90/18/805359018.db2.gz UDQDYDJXJRKAFV-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H](CC)[NH+](C)C ZINC001292917613 805359028 /nfs/dbraw/zinc/35/90/28/805359028.db2.gz UDQDYDJXJRKAFV-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NCCC[NH+]1CCOCC1)C2 ZINC000884175732 807039864 /nfs/dbraw/zinc/03/98/64/807039864.db2.gz FERMQFYNVSFGIY-BBBYJDLNSA-N 2 1 306.410 -0.036 20 30 DBEDMP CC[C@H](C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1)[NH+](C)C ZINC001325773164 807102532 /nfs/dbraw/zinc/10/25/32/807102532.db2.gz VPJMXWKKACFZDY-HZSPNIEDSA-N 2 1 321.425 -0.643 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2cc[nH+]c2C)CCC1 ZINC001326927643 807225707 /nfs/dbraw/zinc/22/57/07/807225707.db2.gz GCHYZWLINLUTNE-UHFFFAOYSA-N 2 1 317.393 -0.431 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001327554810 807302762 /nfs/dbraw/zinc/30/27/62/807302762.db2.gz LJHBHBFRFIVBHP-HOCLYGCPSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001327554810 807302770 /nfs/dbraw/zinc/30/27/70/807302770.db2.gz LJHBHBFRFIVBHP-HOCLYGCPSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734073 807405427 /nfs/dbraw/zinc/40/54/27/807405427.db2.gz UQBXFKSXMKHTQA-RDJZCZTQSA-N 2 1 322.453 -0.325 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001328840882 807475982 /nfs/dbraw/zinc/47/59/82/807475982.db2.gz FMIADRNLZINRIB-RUXDESIVSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001328840882 807475988 /nfs/dbraw/zinc/47/59/88/807475988.db2.gz FMIADRNLZINRIB-RUXDESIVSA-N 2 1 324.425 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCc1cnc[nH]1 ZINC001329051158 807511298 /nfs/dbraw/zinc/51/12/98/807511298.db2.gz WZBZSTYJSCQZRO-NWDGAFQWSA-N 2 1 305.382 -0.426 20 30 DBEDMP C#CCNC(=O)CC[NH2+][C@@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001329433996 807564304 /nfs/dbraw/zinc/56/43/04/807564304.db2.gz USIPHLLGXGGXGN-CYBMUJFWSA-N 2 1 304.394 -0.230 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332112735 807872925 /nfs/dbraw/zinc/87/29/25/807872925.db2.gz QWHIQTSOFBQTCC-RHSMWYFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1C[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)[C@H](O)C1 ZINC000958724373 810013132 /nfs/dbraw/zinc/01/31/32/810013132.db2.gz OFGSIDDPURMXOR-HZPDHXFCSA-N 2 1 303.406 -0.626 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC000962777416 810579901 /nfs/dbraw/zinc/57/99/01/810579901.db2.gz OLJJGUCYNQBBMI-SPWCGHHHSA-N 2 1 318.421 -0.748 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+]([C@@H](C)C(N)=O)C[C@H]32)CC1 ZINC000962777416 810579907 /nfs/dbraw/zinc/57/99/07/810579907.db2.gz OLJJGUCYNQBBMI-SPWCGHHHSA-N 2 1 318.421 -0.748 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963471672 810630628 /nfs/dbraw/zinc/63/06/28/810630628.db2.gz NGBYCQHNCIXDEJ-NRXISQOPSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC(N)=O)CC1 ZINC000963471672 810630629 /nfs/dbraw/zinc/63/06/29/810630629.db2.gz NGBYCQHNCIXDEJ-NRXISQOPSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000968956266 811521999 /nfs/dbraw/zinc/52/19/99/811521999.db2.gz HHXCDSIRUMRVQK-KFWWJZLASA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC000968956266 811522005 /nfs/dbraw/zinc/52/20/05/811522005.db2.gz HHXCDSIRUMRVQK-KFWWJZLASA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001016336619 813652225 /nfs/dbraw/zinc/65/22/25/813652225.db2.gz MQUMGTKHSKRQBL-ZFWWWQNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@@H](C)C(=O)NC)C2)CC1 ZINC001016336619 813652230 /nfs/dbraw/zinc/65/22/30/813652230.db2.gz MQUMGTKHSKRQBL-ZFWWWQNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001020250537 814335055 /nfs/dbraw/zinc/33/50/55/814335055.db2.gz HUESTCKVDLCTEU-SYQHCUMBSA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001020250537 814335063 /nfs/dbraw/zinc/33/50/63/814335063.db2.gz HUESTCKVDLCTEU-SYQHCUMBSA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001020250539 814336121 /nfs/dbraw/zinc/33/61/21/814336121.db2.gz HUESTCKVDLCTEU-XUXIUFHCSA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001020250539 814336134 /nfs/dbraw/zinc/33/61/34/814336134.db2.gz HUESTCKVDLCTEU-XUXIUFHCSA-N 2 1 306.410 -0.415 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020251561 814336527 /nfs/dbraw/zinc/33/65/27/814336527.db2.gz TWJVWZWHGMOBOV-TUVASFSCSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001020251561 814336535 /nfs/dbraw/zinc/33/65/35/814336535.db2.gz TWJVWZWHGMOBOV-TUVASFSCSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001033683115 814571257 /nfs/dbraw/zinc/57/12/57/814571257.db2.gz DVKBALYGNFEGQP-DZGCQCFKSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@@H](C)C(N)=O)C2)CC1 ZINC001033683115 814571260 /nfs/dbraw/zinc/57/12/60/814571260.db2.gz DVKBALYGNFEGQP-DZGCQCFKSA-N 2 1 320.437 -0.262 20 30 DBEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014516 816721967 /nfs/dbraw/zinc/72/19/67/816721967.db2.gz YSDYFLJVAJOJBF-JKSUJKDBSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[NH+]1CC[C@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014516 816721973 /nfs/dbraw/zinc/72/19/73/816721973.db2.gz YSDYFLJVAJOJBF-JKSUJKDBSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014516 816721979 /nfs/dbraw/zinc/72/19/79/816721979.db2.gz YSDYFLJVAJOJBF-JKSUJKDBSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014516 816721988 /nfs/dbraw/zinc/72/19/88/816721988.db2.gz YSDYFLJVAJOJBF-JKSUJKDBSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333812 817071666 /nfs/dbraw/zinc/07/16/66/817071666.db2.gz PKKRJIMQIDRPKI-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001047333812 817071671 /nfs/dbraw/zinc/07/16/71/817071671.db2.gz PKKRJIMQIDRPKI-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001047333812 817071679 /nfs/dbraw/zinc/07/16/79/817071679.db2.gz PKKRJIMQIDRPKI-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001047333812 817071687 /nfs/dbraw/zinc/07/16/87/817071687.db2.gz PKKRJIMQIDRPKI-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333811 817071976 /nfs/dbraw/zinc/07/19/76/817071976.db2.gz PKKRJIMQIDRPKI-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001047333811 817071983 /nfs/dbraw/zinc/07/19/83/817071983.db2.gz PKKRJIMQIDRPKI-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001047333811 817071992 /nfs/dbraw/zinc/07/19/92/817071992.db2.gz PKKRJIMQIDRPKI-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=C(C)CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001047333811 817071996 /nfs/dbraw/zinc/07/19/96/817071996.db2.gz PKKRJIMQIDRPKI-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463788 817151610 /nfs/dbraw/zinc/15/16/10/817151610.db2.gz SRGHYSXYJBXHJQ-AUUXXJPVSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001047463788 817151611 /nfs/dbraw/zinc/15/16/11/817151611.db2.gz SRGHYSXYJBXHJQ-AUUXXJPVSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001047463788 817151613 /nfs/dbraw/zinc/15/16/13/817151613.db2.gz SRGHYSXYJBXHJQ-AUUXXJPVSA-N 2 1 321.421 -0.461 20 30 DBEDMP C=CC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001047463788 817151615 /nfs/dbraw/zinc/15/16/15/817151615.db2.gz SRGHYSXYJBXHJQ-AUUXXJPVSA-N 2 1 321.421 -0.461 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047634196 817243534 /nfs/dbraw/zinc/24/35/34/817243534.db2.gz ZBCQVHXSXYSVIF-SOUVJXGZSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047634196 817243542 /nfs/dbraw/zinc/24/35/42/817243542.db2.gz ZBCQVHXSXYSVIF-SOUVJXGZSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047634196 817243545 /nfs/dbraw/zinc/24/35/45/817243545.db2.gz ZBCQVHXSXYSVIF-SOUVJXGZSA-N 2 1 309.410 -0.766 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047634196 817243553 /nfs/dbraw/zinc/24/35/53/817243553.db2.gz ZBCQVHXSXYSVIF-SOUVJXGZSA-N 2 1 309.410 -0.766 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001047633913 817243683 /nfs/dbraw/zinc/24/36/83/817243683.db2.gz RKKRELMZMKWECU-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001047633913 817243690 /nfs/dbraw/zinc/24/36/90/817243690.db2.gz RKKRELMZMKWECU-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047633913 817243694 /nfs/dbraw/zinc/24/36/94/817243694.db2.gz RKKRELMZMKWECU-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001047633913 817243699 /nfs/dbraw/zinc/24/36/99/817243699.db2.gz RKKRELMZMKWECU-KKUMJFAQSA-N 2 1 311.426 -0.213 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833447 817454913 /nfs/dbraw/zinc/45/49/13/817454913.db2.gz NYIJJAHPIONJTJ-XUWVNRHRSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833447 817454920 /nfs/dbraw/zinc/45/49/20/817454920.db2.gz NYIJJAHPIONJTJ-XUWVNRHRSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)C[C@H]2C1 ZINC001048833447 817454923 /nfs/dbraw/zinc/45/49/23/817454923.db2.gz NYIJJAHPIONJTJ-XUWVNRHRSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCCO)C[C@@H]2C1 ZINC001048870279 817466072 /nfs/dbraw/zinc/46/60/72/817466072.db2.gz VZVLLOZPBDZOJO-XHSDSOJGSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCCO)C[C@@H]2C1 ZINC001048870279 817466074 /nfs/dbraw/zinc/46/60/74/817466074.db2.gz VZVLLOZPBDZOJO-XHSDSOJGSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048870279 817466081 /nfs/dbraw/zinc/46/60/81/817466081.db2.gz VZVLLOZPBDZOJO-XHSDSOJGSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCO)C[C@@H]2C1 ZINC001048870279 817466086 /nfs/dbraw/zinc/46/60/86/817466086.db2.gz VZVLLOZPBDZOJO-XHSDSOJGSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CCO)C[C@@H]3C2)CC1 ZINC001049235855 817569134 /nfs/dbraw/zinc/56/91/34/817569134.db2.gz XQNRBXVMDKILED-IYBDPMFKSA-N 2 1 305.422 -0.286 20 30 DBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001071020404 820611160 /nfs/dbraw/zinc/61/11/60/820611160.db2.gz APVYAMJKQHZIIW-OAHLLOKOSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[NH+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001071020404 820611167 /nfs/dbraw/zinc/61/11/67/820611167.db2.gz APVYAMJKQHZIIW-OAHLLOKOSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020404 820611172 /nfs/dbraw/zinc/61/11/72/820611172.db2.gz APVYAMJKQHZIIW-OAHLLOKOSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001071020404 820611177 /nfs/dbraw/zinc/61/11/77/820611177.db2.gz APVYAMJKQHZIIW-OAHLLOKOSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](C[C@@H](C)O)C2 ZINC001072822400 821023468 /nfs/dbraw/zinc/02/34/68/821023468.db2.gz FKAXJSQESZUCFW-CABCVRRESA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](C[C@@H](C)O)C2 ZINC001072822400 821023476 /nfs/dbraw/zinc/02/34/76/821023476.db2.gz FKAXJSQESZUCFW-CABCVRRESA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)C2 ZINC001072822400 821023487 /nfs/dbraw/zinc/02/34/87/821023487.db2.gz FKAXJSQESZUCFW-CABCVRRESA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](C[C@@H](C)O)C2 ZINC001072822400 821023497 /nfs/dbraw/zinc/02/34/97/821023497.db2.gz FKAXJSQESZUCFW-CABCVRRESA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCO)CCCO2)CC1 ZINC001073899511 821266209 /nfs/dbraw/zinc/26/62/09/821266209.db2.gz VVSDOSPWMDSMJW-MRXNPFEDSA-N 2 1 323.437 -0.469 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654431 824712181 /nfs/dbraw/zinc/71/21/81/824712181.db2.gz NVJHWTJNWQIFCN-NHGZVPIDSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654431 824712191 /nfs/dbraw/zinc/71/21/91/824712191.db2.gz NVJHWTJNWQIFCN-NHGZVPIDSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654431 824712202 /nfs/dbraw/zinc/71/22/02/824712202.db2.gz NVJHWTJNWQIFCN-NHGZVPIDSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654431 824712208 /nfs/dbraw/zinc/71/22/08/824712208.db2.gz NVJHWTJNWQIFCN-NHGZVPIDSA-N 2 1 307.394 -0.803 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851001 824792406 /nfs/dbraw/zinc/79/24/06/824792406.db2.gz GQBZXTHDVUOYMP-CABCVRRESA-N 2 1 319.409 -0.757 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114743848 828735040 /nfs/dbraw/zinc/73/50/40/828735040.db2.gz RMLOIVZQSNICCU-NHAGDIPZSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001114743848 828735044 /nfs/dbraw/zinc/73/50/44/828735044.db2.gz RMLOIVZQSNICCU-NHAGDIPZSA-N 2 1 320.437 -0.323 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086110114 825178928 /nfs/dbraw/zinc/17/89/28/825178928.db2.gz UFJKYKOEUUWWHV-BARDWOONSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086110114 825178931 /nfs/dbraw/zinc/17/89/31/825178931.db2.gz UFJKYKOEUUWWHV-BARDWOONSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114849155 828752075 /nfs/dbraw/zinc/75/20/75/828752075.db2.gz LKNYTOJYOTZHLZ-SFDCQRBFSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](CC)[NH+](C)C ZINC001114849155 828752078 /nfs/dbraw/zinc/75/20/78/828752078.db2.gz LKNYTOJYOTZHLZ-SFDCQRBFSA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001115000623 828774147 /nfs/dbraw/zinc/77/41/47/828774147.db2.gz JDZQZEMJNPWFIC-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088329287 825414653 /nfs/dbraw/zinc/41/46/53/825414653.db2.gz RZLFSEULMYNSNL-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC(N)=O)C1 ZINC001088329287 825414657 /nfs/dbraw/zinc/41/46/57/825414657.db2.gz RZLFSEULMYNSNL-CABCVRRESA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@@H+](C)CC ZINC001115074473 828783663 /nfs/dbraw/zinc/78/36/63/828783663.db2.gz MMJCZJLDUOHSKF-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115074473 828783670 /nfs/dbraw/zinc/78/36/70/828783670.db2.gz MMJCZJLDUOHSKF-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074473 828783673 /nfs/dbraw/zinc/78/36/73/828783673.db2.gz MMJCZJLDUOHSKF-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115074473 828783678 /nfs/dbraw/zinc/78/36/78/828783678.db2.gz MMJCZJLDUOHSKF-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115121005 828789502 /nfs/dbraw/zinc/78/95/02/828789502.db2.gz KAJLAPQHGACMNO-NHAGDIPZSA-N 2 1 318.421 -0.569 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115121005 828789510 /nfs/dbraw/zinc/78/95/10/828789510.db2.gz KAJLAPQHGACMNO-NHAGDIPZSA-N 2 1 318.421 -0.569 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115242917 828812903 /nfs/dbraw/zinc/81/29/03/828812903.db2.gz GGBOQJIHRGBLHS-TTZDDIAXSA-N 2 1 320.437 -0.181 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)C[C@H]2O)CC1 ZINC001090830015 825863598 /nfs/dbraw/zinc/86/35/98/825863598.db2.gz HSMYYVQIDHXPRF-DLBZAZTESA-N 2 1 317.433 -0.094 20 30 DBEDMP C[C@@H]1[C@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001274033976 833009318 /nfs/dbraw/zinc/00/93/18/833009318.db2.gz AWMGAQAERUKRBC-FGTRRKKMSA-N 2 1 307.398 -0.772 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC001093224414 826106096 /nfs/dbraw/zinc/10/60/96/826106096.db2.gz VKMJFZGHSZOELC-UKRRQHHQSA-N 2 1 320.437 -0.499 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815395 826294105 /nfs/dbraw/zinc/29/41/05/826294105.db2.gz RVRAYSRSUGQCDH-KGLIPLIRSA-N 2 1 320.437 -0.085 20 30 DBEDMP C=CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815395 826294107 /nfs/dbraw/zinc/29/41/07/826294107.db2.gz RVRAYSRSUGQCDH-KGLIPLIRSA-N 2 1 320.437 -0.085 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161558518 833035292 /nfs/dbraw/zinc/03/52/92/833035292.db2.gz GGAKIMUCPNZUED-UHFFFAOYSA-N 2 1 323.397 -0.252 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001161644105 833043390 /nfs/dbraw/zinc/04/33/90/833043390.db2.gz HZKMPRGQSVOVEV-OAHLLOKOSA-N 2 1 322.453 -0.048 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1C ZINC001274268051 833053938 /nfs/dbraw/zinc/05/39/38/833053938.db2.gz DQRLNOHVYMZYSM-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098395955 826476884 /nfs/dbraw/zinc/47/68/84/826476884.db2.gz IGMPRFKJHUGJFC-INIZCTEOSA-N 2 1 323.437 -0.638 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CCO)CC1 ZINC001098395955 826476889 /nfs/dbraw/zinc/47/68/89/826476889.db2.gz IGMPRFKJHUGJFC-INIZCTEOSA-N 2 1 323.437 -0.638 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299070 833058320 /nfs/dbraw/zinc/05/83/20/833058320.db2.gz SGAACCMTDGXYGT-OLZOCXBDSA-N 2 1 309.414 -0.597 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299069 833058995 /nfs/dbraw/zinc/05/89/95/833058995.db2.gz SGAACCMTDGXYGT-CHWSQXEVSA-N 2 1 309.414 -0.597 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879559 826708555 /nfs/dbraw/zinc/70/85/55/826708555.db2.gz LYLYYYMAJSQVQB-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879559 826708560 /nfs/dbraw/zinc/70/85/60/826708560.db2.gz LYLYYYMAJSQVQB-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879559 826708566 /nfs/dbraw/zinc/70/85/66/826708566.db2.gz LYLYYYMAJSQVQB-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879559 826708573 /nfs/dbraw/zinc/70/85/73/826708573.db2.gz LYLYYYMAJSQVQB-JKSUJKDBSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879557 826709198 /nfs/dbraw/zinc/70/91/98/826709198.db2.gz LYLYYYMAJSQVQB-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879557 826709204 /nfs/dbraw/zinc/70/92/04/826709204.db2.gz LYLYYYMAJSQVQB-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879557 826709207 /nfs/dbraw/zinc/70/92/07/826709207.db2.gz LYLYYYMAJSQVQB-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879557 826709208 /nfs/dbraw/zinc/70/92/08/826709208.db2.gz LYLYYYMAJSQVQB-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918964 826727637 /nfs/dbraw/zinc/72/76/37/826727637.db2.gz UPYALWNLFQQSRA-HUUCEWRRSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@H](O)C1 ZINC001099918964 826727641 /nfs/dbraw/zinc/72/76/41/826727641.db2.gz UPYALWNLFQQSRA-HUUCEWRRSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918963 826728064 /nfs/dbraw/zinc/72/80/64/826728064.db2.gz UPYALWNLFQQSRA-GJZGRUSLSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099918963 826728068 /nfs/dbraw/zinc/72/80/68/826728068.db2.gz UPYALWNLFQQSRA-GJZGRUSLSA-N 2 1 322.409 -0.054 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971976 826752261 /nfs/dbraw/zinc/75/22/61/826752261.db2.gz PBMGNSMPUNWUFX-GJZGRUSLSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001099971976 826752264 /nfs/dbraw/zinc/75/22/64/826752264.db2.gz PBMGNSMPUNWUFX-GJZGRUSLSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979666 826755656 /nfs/dbraw/zinc/75/56/56/826755656.db2.gz YZBHYHDYMWSEIO-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001099979666 826755659 /nfs/dbraw/zinc/75/56/59/826755659.db2.gz YZBHYHDYMWSEIO-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+]1CCC[C@@]12CCN(CC[NH+](C)C)C2=O ZINC001274555709 833099699 /nfs/dbraw/zinc/09/96/99/833099699.db2.gz ZFQYFEXIUNCNTE-RDJZCZTQSA-N 2 1 323.437 -0.374 20 30 DBEDMP C=C(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037219 826787772 /nfs/dbraw/zinc/78/77/72/826787772.db2.gz VYZBQWPHTFSCEO-LSDHHAIUSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037219 826787780 /nfs/dbraw/zinc/78/77/80/826787780.db2.gz VYZBQWPHTFSCEO-LSDHHAIUSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001274566058 833101515 /nfs/dbraw/zinc/10/15/15/833101515.db2.gz QAROVQIQFUDCIJ-UHFFFAOYSA-N 2 1 309.410 -0.715 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100049280 826795603 /nfs/dbraw/zinc/79/56/03/826795603.db2.gz ZWOYYEAPKNQCTR-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100049280 826795612 /nfs/dbraw/zinc/79/56/12/826795612.db2.gz ZWOYYEAPKNQCTR-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100082901 826838966 /nfs/dbraw/zinc/83/89/66/826838966.db2.gz JUCQZRPERLFINQ-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100082901 826838977 /nfs/dbraw/zinc/83/89/77/826838977.db2.gz JUCQZRPERLFINQ-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100082901 826838990 /nfs/dbraw/zinc/83/89/90/826838990.db2.gz JUCQZRPERLFINQ-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100082901 826839002 /nfs/dbraw/zinc/83/90/02/826839002.db2.gz JUCQZRPERLFINQ-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132077 826883067 /nfs/dbraw/zinc/88/30/67/826883067.db2.gz NCDOXLWRZPONCK-HUUCEWRRSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132077 826883078 /nfs/dbraw/zinc/88/30/78/826883078.db2.gz NCDOXLWRZPONCK-HUUCEWRRSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132077 826883089 /nfs/dbraw/zinc/88/30/89/826883089.db2.gz NCDOXLWRZPONCK-HUUCEWRRSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132077 826883100 /nfs/dbraw/zinc/88/31/00/826883100.db2.gz NCDOXLWRZPONCK-HUUCEWRRSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1 ZINC001100415582 826960863 /nfs/dbraw/zinc/96/08/63/826960863.db2.gz XWDVYOBAKYKVFP-FJBKBRRZSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C[C@@H](O)COC)C1 ZINC001100415582 826960866 /nfs/dbraw/zinc/96/08/66/826960866.db2.gz XWDVYOBAKYKVFP-FJBKBRRZSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100415219 826961129 /nfs/dbraw/zinc/96/11/29/826961129.db2.gz FMMRKBKLGAEYSE-RUXDESIVSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC)C1 ZINC001100415219 826961135 /nfs/dbraw/zinc/96/11/35/826961135.db2.gz FMMRKBKLGAEYSE-RUXDESIVSA-N 2 1 306.410 -0.686 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100673869 826999826 /nfs/dbraw/zinc/99/98/26/826999826.db2.gz CNDFZHIBUCDUAG-HSBZDZAISA-N 2 1 321.425 -0.405 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100982526 827058544 /nfs/dbraw/zinc/05/85/44/827058544.db2.gz YEDBDCRVAZJMRZ-ROKHWSDSSA-N 2 1 308.426 -0.275 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275173270 833155507 /nfs/dbraw/zinc/15/55/07/833155507.db2.gz DAFCUWRLIQZDSR-QWHCGFSZSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)CCC)[C@H](C)C1 ZINC001102525387 827220171 /nfs/dbraw/zinc/22/01/71/827220171.db2.gz ZYXBGWFCXZZDMS-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525387 827220176 /nfs/dbraw/zinc/22/01/76/827220176.db2.gz ZYXBGWFCXZZDMS-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)CCC)[C@H](C)C1 ZINC001102525387 827220182 /nfs/dbraw/zinc/22/01/82/827220182.db2.gz ZYXBGWFCXZZDMS-HUUCEWRRSA-N 2 1 322.453 -0.238 20 30 DBEDMP CCC[N@H+]1CCC[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164450073 833210884 /nfs/dbraw/zinc/21/08/84/833210884.db2.gz XOKSSXYGHFBZTL-AWEZNQCLSA-N 2 1 323.441 -0.156 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165545187 833251455 /nfs/dbraw/zinc/25/14/55/833251455.db2.gz FINLWYCUJPCRDU-ZDUSSCGKSA-N 2 1 306.410 -0.555 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(N)=O)CC1 ZINC001165545187 833251459 /nfs/dbraw/zinc/25/14/59/833251459.db2.gz FINLWYCUJPCRDU-ZDUSSCGKSA-N 2 1 306.410 -0.555 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC001166765142 833280687 /nfs/dbraw/zinc/28/06/87/833280687.db2.gz UCCLLVFWAJJQOM-UHFFFAOYSA-N 2 1 308.426 -0.436 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980107 828210102 /nfs/dbraw/zinc/21/01/02/828210102.db2.gz QGLKYGPQLIQHCM-TUVASFSCSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980107 828210106 /nfs/dbraw/zinc/21/01/06/828210106.db2.gz QGLKYGPQLIQHCM-TUVASFSCSA-N 2 1 320.437 -0.203 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976388 828210576 /nfs/dbraw/zinc/21/05/76/828210576.db2.gz KYQAJEFPKMTWDR-MCIONIFRSA-N 2 1 308.426 -0.038 20 30 DBEDMP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110976388 828210582 /nfs/dbraw/zinc/21/05/82/828210582.db2.gz KYQAJEFPKMTWDR-MCIONIFRSA-N 2 1 308.426 -0.038 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226667 833367725 /nfs/dbraw/zinc/36/77/25/833367725.db2.gz JCHDTTJAONNQQP-KBPBESRZSA-N 2 1 308.426 -0.438 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176986224 833445236 /nfs/dbraw/zinc/44/52/36/833445236.db2.gz IAJHRIZZRFPJOD-ZDUSSCGKSA-N 2 1 309.414 -0.404 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127638180 830020590 /nfs/dbraw/zinc/02/05/90/830020590.db2.gz GBLLEFCIWDJUPB-MCIONIFRSA-N 2 1 308.426 -0.181 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1=O ZINC001127638181 830021385 /nfs/dbraw/zinc/02/13/85/830021385.db2.gz GBLLEFCIWDJUPB-MGPQQGTHSA-N 2 1 308.426 -0.181 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129327787 830172140 /nfs/dbraw/zinc/17/21/40/830172140.db2.gz IXOZGENPXUOETA-CQSZACIVSA-N 2 1 308.426 -0.581 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001129771077 830208344 /nfs/dbraw/zinc/20/83/44/830208344.db2.gz QIKOBMXHWYKDKN-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)CC ZINC001129771077 830208349 /nfs/dbraw/zinc/20/83/49/830208349.db2.gz QIKOBMXHWYKDKN-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001129771440 830210029 /nfs/dbraw/zinc/21/00/29/830210029.db2.gz XPLLTKLIJCDKCV-AWEZNQCLSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC(C)C ZINC001129771440 830210035 /nfs/dbraw/zinc/21/00/35/830210035.db2.gz XPLLTKLIJCDKCV-AWEZNQCLSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001129790657 830210885 /nfs/dbraw/zinc/21/08/85/830210885.db2.gz FYMAKECNNVYVEO-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC(C)C ZINC001129790657 830210886 /nfs/dbraw/zinc/21/08/86/830210886.db2.gz FYMAKECNNVYVEO-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001129790901 830211703 /nfs/dbraw/zinc/21/17/03/830211703.db2.gz NEFQNVJGJYABPD-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C1CC1 ZINC001129790901 830211705 /nfs/dbraw/zinc/21/17/05/830211705.db2.gz NEFQNVJGJYABPD-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130184335 830277980 /nfs/dbraw/zinc/27/79/80/830277980.db2.gz MCVULGPHNMHURF-JHJVBQTASA-N 2 1 312.414 -0.898 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130184335 830277989 /nfs/dbraw/zinc/27/79/89/830277989.db2.gz MCVULGPHNMHURF-JHJVBQTASA-N 2 1 312.414 -0.898 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)Cn1c[nH+]cc1C ZINC001131377687 830465636 /nfs/dbraw/zinc/46/56/36/830465636.db2.gz XXJYYTDTMPGCSY-UHFFFAOYSA-N 2 1 320.397 -0.341 20 30 DBEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692782 830510383 /nfs/dbraw/zinc/51/03/83/830510383.db2.gz KQYZZPNSDLSMQA-RDJZCZTQSA-N 2 1 323.437 -0.110 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC001132858921 830707196 /nfs/dbraw/zinc/70/71/96/830707196.db2.gz PAHZVWJHVODPRN-ZDUSSCGKSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896869 830850533 /nfs/dbraw/zinc/85/05/33/830850533.db2.gz SOFLDVVWGBHPDE-ZDUSSCGKSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001133896868 830851229 /nfs/dbraw/zinc/85/12/29/830851229.db2.gz SOFLDVVWGBHPDE-CYBMUJFWSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC001133908438 830853875 /nfs/dbraw/zinc/85/38/75/830853875.db2.gz QWFDJFMTHRFXON-ZDUSSCGKSA-N 2 1 310.442 -0.192 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134575004 830952002 /nfs/dbraw/zinc/95/20/02/830952002.db2.gz XOLPSRMSXANVES-CYBMUJFWSA-N 2 1 319.409 -0.150 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028891 831001095 /nfs/dbraw/zinc/00/10/95/831001095.db2.gz JWPHJBOBHUEAJL-OLZOCXBDSA-N 2 1 319.409 -0.186 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135307144 831048985 /nfs/dbraw/zinc/04/89/85/831048985.db2.gz PSVPIHXBTAPOQM-UHFFFAOYSA-N 2 1 307.398 -0.020 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183648032 833725901 /nfs/dbraw/zinc/72/59/01/833725901.db2.gz MSVHUDUHDMDDSZ-OLZOCXBDSA-N 2 1 307.398 -0.699 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135882278 831131744 /nfs/dbraw/zinc/13/17/44/831131744.db2.gz JTGSZPFOQXTXOW-QWHCGFSZSA-N 2 1 311.430 -0.159 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135882279 831132141 /nfs/dbraw/zinc/13/21/41/831132141.db2.gz JTGSZPFOQXTXOW-STQMWFEESA-N 2 1 311.430 -0.159 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146592292 831285876 /nfs/dbraw/zinc/28/58/76/831285876.db2.gz IZRFFDIOIIXJMP-OLZOCXBDSA-N 2 1 311.430 -0.161 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772783 831407094 /nfs/dbraw/zinc/40/70/94/831407094.db2.gz CYVGMEIMLPLTFR-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001147772783 831407096 /nfs/dbraw/zinc/40/70/96/831407096.db2.gz CYVGMEIMLPLTFR-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)C[N@H+](C)CCC ZINC001148638676 831468239 /nfs/dbraw/zinc/46/82/39/831468239.db2.gz MWJAHYAOIFMKHA-UHFFFAOYSA-N 2 1 313.402 -0.954 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151756385 831709133 /nfs/dbraw/zinc/70/91/33/831709133.db2.gz LBDVIZHDQHRLIA-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151756385 831709137 /nfs/dbraw/zinc/70/91/37/831709137.db2.gz LBDVIZHDQHRLIA-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cn(C)nn2)CC1 ZINC001152324302 831741327 /nfs/dbraw/zinc/74/13/27/831741327.db2.gz PCZDFAUVPGBUFJ-UHFFFAOYSA-N 2 1 304.398 -0.634 20 30 DBEDMP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620452 831766570 /nfs/dbraw/zinc/76/65/70/831766570.db2.gz MVBOSMIEZNSMKC-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001152620452 831766575 /nfs/dbraw/zinc/76/65/75/831766575.db2.gz MVBOSMIEZNSMKC-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001152620452 831766579 /nfs/dbraw/zinc/76/65/79/831766579.db2.gz MVBOSMIEZNSMKC-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001152620452 831766584 /nfs/dbraw/zinc/76/65/84/831766584.db2.gz MVBOSMIEZNSMKC-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033850 831858473 /nfs/dbraw/zinc/85/84/73/831858473.db2.gz OZCLLIGOAMRMDF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001154033850 831858482 /nfs/dbraw/zinc/85/84/82/831858482.db2.gz OZCLLIGOAMRMDF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001154033850 831858490 /nfs/dbraw/zinc/85/84/90/831858490.db2.gz OZCLLIGOAMRMDF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001154033850 831858498 /nfs/dbraw/zinc/85/84/98/831858498.db2.gz OZCLLIGOAMRMDF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927628 832010622 /nfs/dbraw/zinc/01/06/22/832010622.db2.gz NPYNYBFXPQZIDG-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001156927628 832010623 /nfs/dbraw/zinc/01/06/23/832010623.db2.gz NPYNYBFXPQZIDG-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001157887416 832070030 /nfs/dbraw/zinc/07/00/30/832070030.db2.gz VHAQWEUAGKQOQW-AWEZNQCLSA-N 2 1 308.426 -0.296 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039742 832085043 /nfs/dbraw/zinc/08/50/43/832085043.db2.gz UBVZBRAYQONALR-KBPBESRZSA-N 2 1 321.425 -0.404 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001185659567 833804801 /nfs/dbraw/zinc/80/48/01/833804801.db2.gz KPNQURNKGFOIAV-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP CC[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403208 832427737 /nfs/dbraw/zinc/42/77/37/832427737.db2.gz UGKOGETWZCWKNJ-KBPBESRZSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001269991125 832488787 /nfs/dbraw/zinc/48/87/87/832488787.db2.gz HJVCRHLHNDVNFE-KKUMJFAQSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(=O)NC)CC1 ZINC001269991125 832488790 /nfs/dbraw/zinc/48/87/90/832488790.db2.gz HJVCRHLHNDVNFE-KKUMJFAQSA-N 2 1 320.437 -0.153 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001270287675 832519495 /nfs/dbraw/zinc/51/94/95/832519495.db2.gz NHWGIWQTJRULAX-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001270428068 832532806 /nfs/dbraw/zinc/53/28/06/832532806.db2.gz VHKCIAXQWNVDLQ-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]Cc1cnn(C)n1 ZINC001270428068 832532813 /nfs/dbraw/zinc/53/28/13/832532813.db2.gz VHKCIAXQWNVDLQ-HIFRSBDPSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270697388 832566710 /nfs/dbraw/zinc/56/67/10/832566710.db2.gz HHJYZHCWPOVAGW-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271458555 832670546 /nfs/dbraw/zinc/67/05/46/832670546.db2.gz NQWQFZXGKTZADS-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001271901161 832714413 /nfs/dbraw/zinc/71/44/13/832714413.db2.gz MHXSHHZJYMOPMO-KBPBESRZSA-N 2 1 323.441 -0.302 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272214550 832758795 /nfs/dbraw/zinc/75/87/95/832758795.db2.gz AKUAJRLMLWZLQF-ZIAGYGMSSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272214549 832759174 /nfs/dbraw/zinc/75/91/74/832759174.db2.gz AKUAJRLMLWZLQF-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001272443461 832786416 /nfs/dbraw/zinc/78/64/16/832786416.db2.gz NWDAZVPRMHMQIX-CVEARBPZSA-N 2 1 323.437 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC1CCOCC1 ZINC001272443461 832786421 /nfs/dbraw/zinc/78/64/21/832786421.db2.gz NWDAZVPRMHMQIX-CVEARBPZSA-N 2 1 323.437 -0.423 20 30 DBEDMP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272865543 832844918 /nfs/dbraw/zinc/84/49/18/832844918.db2.gz MFPAOTRDBJJTFE-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP C[C@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001272865541 832845161 /nfs/dbraw/zinc/84/51/61/832845161.db2.gz MFPAOTRDBJJTFE-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159923810 832859392 /nfs/dbraw/zinc/85/93/92/832859392.db2.gz IHHQFPBTQICZAI-CYBMUJFWSA-N 2 1 317.393 -0.394 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001160209312 832882425 /nfs/dbraw/zinc/88/24/25/832882425.db2.gz HEXITEWIUOQKKE-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001160209312 832882437 /nfs/dbraw/zinc/88/24/37/832882437.db2.gz HEXITEWIUOQKKE-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC=C ZINC001160192162 832883011 /nfs/dbraw/zinc/88/30/11/832883011.db2.gz ZIIMENFLYKXZNP-AWEZNQCLSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC=C ZINC001160192162 832883020 /nfs/dbraw/zinc/88/30/20/832883020.db2.gz ZIIMENFLYKXZNP-AWEZNQCLSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001160209625 832884567 /nfs/dbraw/zinc/88/45/67/832884567.db2.gz STGRSURLAGGOQC-AWEZNQCLSA-N 2 1 304.398 -0.528 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCn1cncn1 ZINC001160209625 832884575 /nfs/dbraw/zinc/88/45/75/832884575.db2.gz STGRSURLAGGOQC-AWEZNQCLSA-N 2 1 304.398 -0.528 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193969 832891900 /nfs/dbraw/zinc/89/19/00/832891900.db2.gz ZYPOBWKIXLPKAC-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193969 832891905 /nfs/dbraw/zinc/89/19/05/832891905.db2.gz ZYPOBWKIXLPKAC-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP C=CCN1CC[C@@]2(CC[N@H+](CC(=O)N3CCN(C)CC3)C2)C1=O ZINC001273836082 832970537 /nfs/dbraw/zinc/97/05/37/832970537.db2.gz NDYGVOOAGJNXIR-QGZVFWFLSA-N 2 1 320.437 -0.129 20 30 DBEDMP C=C[C@H](O)C[N@@H+]1CCOC[C@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882504 832978873 /nfs/dbraw/zinc/97/88/73/832978873.db2.gz ZQOHYOLUOWOHSI-GOEBONIOSA-N 2 1 311.426 -0.354 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124713 833570557 /nfs/dbraw/zinc/57/05/57/833570557.db2.gz OPFYGLGPZYVWCG-IHRRRGAJSA-N 2 1 306.410 -0.734 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCCCCCC[NH2+]CC(=O)NCC#N)C1 ZINC001180259489 833576535 /nfs/dbraw/zinc/57/65/35/833576535.db2.gz IQKGXTNEKJHSSL-AWEZNQCLSA-N 2 1 323.441 -0.156 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183040616 833704213 /nfs/dbraw/zinc/70/42/13/833704213.db2.gz UVIITGZDLVQYCL-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183289065 833712131 /nfs/dbraw/zinc/71/21/31/833712131.db2.gz RGLBRTNQPDQCLS-CYBMUJFWSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183354251 833714405 /nfs/dbraw/zinc/71/44/05/833714405.db2.gz XVBLZBAEYRQNDV-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001183354251 833714408 /nfs/dbraw/zinc/71/44/08/833714408.db2.gz XVBLZBAEYRQNDV-KGLIPLIRSA-N 2 1 306.410 -0.637 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001184310435 833756628 /nfs/dbraw/zinc/75/66/28/833756628.db2.gz RMFFXDFWESZQFH-CYBMUJFWSA-N 2 1 305.382 -0.316 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001186355530 833846639 /nfs/dbraw/zinc/84/66/39/833846639.db2.gz DZCNDEFYPFMIAD-CQSZACIVSA-N 2 1 324.425 -0.799 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001277020319 833919823 /nfs/dbraw/zinc/91/98/23/833919823.db2.gz OBCBPQDGEYRMFL-OLZOCXBDSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277224637 833934757 /nfs/dbraw/zinc/93/47/57/833934757.db2.gz KKZHAEBEIAXXKP-UONOGXRCSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277356243 833948599 /nfs/dbraw/zinc/94/85/99/833948599.db2.gz QUVCZSVUGCQKBL-STQMWFEESA-N 2 1 309.414 -0.548 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001187982132 833961633 /nfs/dbraw/zinc/96/16/33/833961633.db2.gz GCXQXKTXUMWAOQ-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001187982132 833961640 /nfs/dbraw/zinc/96/16/40/833961640.db2.gz GCXQXKTXUMWAOQ-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001277906964 834004675 /nfs/dbraw/zinc/00/46/75/834004675.db2.gz GYWZFMTZXOILHZ-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001190238730 834148528 /nfs/dbraw/zinc/14/85/28/834148528.db2.gz OXCPOVMBSDDRII-MGPQQGTHSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001190238730 834148530 /nfs/dbraw/zinc/14/85/30/834148530.db2.gz OXCPOVMBSDDRII-MGPQQGTHSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190238730 834148532 /nfs/dbraw/zinc/14/85/32/834148532.db2.gz OXCPOVMBSDDRII-MGPQQGTHSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190238730 834148534 /nfs/dbraw/zinc/14/85/34/834148534.db2.gz OXCPOVMBSDDRII-MGPQQGTHSA-N 2 1 321.425 -0.501 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775530 834190858 /nfs/dbraw/zinc/19/08/58/834190858.db2.gz HRRPHHJHQJCSOT-ZBFHGGJFSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001190775530 834190874 /nfs/dbraw/zinc/19/08/74/834190874.db2.gz HRRPHHJHQJCSOT-ZBFHGGJFSA-N 2 1 322.453 -0.145 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901384 834203290 /nfs/dbraw/zinc/20/32/90/834203290.db2.gz XYYJGQHDVQBYGC-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901384 834203293 /nfs/dbraw/zinc/20/32/93/834203293.db2.gz XYYJGQHDVQBYGC-ZIAGYGMSSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901383 834203518 /nfs/dbraw/zinc/20/35/18/834203518.db2.gz XYYJGQHDVQBYGC-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001190901383 834203521 /nfs/dbraw/zinc/20/35/21/834203521.db2.gz XYYJGQHDVQBYGC-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133379 834334314 /nfs/dbraw/zinc/33/43/14/834334314.db2.gz ABRMKBPXKBKHOR-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192133379 834334323 /nfs/dbraw/zinc/33/43/23/834334323.db2.gz ABRMKBPXKBKHOR-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192343227 834359020 /nfs/dbraw/zinc/35/90/20/834359020.db2.gz NRJJKITWQQDZFC-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192343227 834359031 /nfs/dbraw/zinc/35/90/31/834359031.db2.gz NRJJKITWQQDZFC-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343227 834359043 /nfs/dbraw/zinc/35/90/43/834359043.db2.gz NRJJKITWQQDZFC-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343227 834359054 /nfs/dbraw/zinc/35/90/54/834359054.db2.gz NRJJKITWQQDZFC-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353610 834362636 /nfs/dbraw/zinc/36/26/36/834362636.db2.gz FUDRFKWWSBEZNG-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353610 834362645 /nfs/dbraw/zinc/36/26/45/834362645.db2.gz FUDRFKWWSBEZNG-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353610 834362655 /nfs/dbraw/zinc/36/26/55/834362655.db2.gz FUDRFKWWSBEZNG-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353610 834362665 /nfs/dbraw/zinc/36/26/65/834362665.db2.gz FUDRFKWWSBEZNG-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947767 834446092 /nfs/dbraw/zinc/44/60/92/834446092.db2.gz MQUNIZNPMLAARK-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCOC[C@@H](O)C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC001251847294 834508205 /nfs/dbraw/zinc/50/82/05/834508205.db2.gz CGTJYVFGLJUBBN-INIZCTEOSA-N 2 1 323.437 -0.517 20 30 DBEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577654 834572784 /nfs/dbraw/zinc/57/27/84/834572784.db2.gz OVRPPTFUGLKFAK-RBSFLKMASA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577654 834572790 /nfs/dbraw/zinc/57/27/90/834572790.db2.gz OVRPPTFUGLKFAK-RBSFLKMASA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577654 834572793 /nfs/dbraw/zinc/57/27/93/834572793.db2.gz OVRPPTFUGLKFAK-RBSFLKMASA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577654 834572797 /nfs/dbraw/zinc/57/27/97/834572797.db2.gz OVRPPTFUGLKFAK-RBSFLKMASA-N 2 1 311.426 -0.356 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001194284361 834585482 /nfs/dbraw/zinc/58/54/82/834585482.db2.gz GTEQDQFJRXWBPW-ZDUSSCGKSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001194284361 834585484 /nfs/dbraw/zinc/58/54/84/834585484.db2.gz GTEQDQFJRXWBPW-ZDUSSCGKSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001194284361 834585492 /nfs/dbraw/zinc/58/54/92/834585492.db2.gz GTEQDQFJRXWBPW-ZDUSSCGKSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001194284361 834585497 /nfs/dbraw/zinc/58/54/97/834585497.db2.gz GTEQDQFJRXWBPW-ZDUSSCGKSA-N 2 1 309.414 -0.501 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001195980756 834743394 /nfs/dbraw/zinc/74/33/94/834743394.db2.gz FHFLPSVUVWTFKT-RBSFLKMASA-N 2 1 313.442 -0.064 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001196169086 834762956 /nfs/dbraw/zinc/76/29/56/834762956.db2.gz NURTWGWCNYEZRB-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001196169086 834762962 /nfs/dbraw/zinc/76/29/62/834762962.db2.gz NURTWGWCNYEZRB-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169086 834762970 /nfs/dbraw/zinc/76/29/70/834762970.db2.gz NURTWGWCNYEZRB-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001196169086 834762974 /nfs/dbraw/zinc/76/29/74/834762974.db2.gz NURTWGWCNYEZRB-RRFJBIMHSA-N 2 1 311.426 -0.308 20 30 DBEDMP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1CC)[NH+](C)C ZINC001264055467 835006440 /nfs/dbraw/zinc/00/64/40/835006440.db2.gz BFEYYRYGBCPEBD-BFHYXJOUSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1CC)[NH+](C)C ZINC001264055467 835006446 /nfs/dbraw/zinc/00/64/46/835006446.db2.gz BFEYYRYGBCPEBD-BFHYXJOUSA-N 2 1 323.441 -0.065 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264400284 835026703 /nfs/dbraw/zinc/02/67/03/835026703.db2.gz XJBLYCQTCKVRBH-FRRDWIJNSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)n1 ZINC001264582249 835038146 /nfs/dbraw/zinc/03/81/46/835038146.db2.gz XIZYNUKZRMVJRM-DGCLKSJQSA-N 2 1 317.393 -0.139 20 30 DBEDMP C[N@@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC(=O)NCC#N ZINC001264986882 835062222 /nfs/dbraw/zinc/06/22/22/835062222.db2.gz ZSMZPMMVOIFPAZ-AWEZNQCLSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001265476970 835146013 /nfs/dbraw/zinc/14/60/13/835146013.db2.gz WWWIILYQUHWMAH-KKUMJFAQSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200788301 835151938 /nfs/dbraw/zinc/15/19/38/835151938.db2.gz YTQSXLQLDUZXQS-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200788301 835151944 /nfs/dbraw/zinc/15/19/44/835151944.db2.gz YTQSXLQLDUZXQS-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265577977 835155786 /nfs/dbraw/zinc/15/57/86/835155786.db2.gz QTDPGXWKZUISCX-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001265577977 835155791 /nfs/dbraw/zinc/15/57/91/835155791.db2.gz QTDPGXWKZUISCX-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265577977 835155794 /nfs/dbraw/zinc/15/57/94/835155794.db2.gz QTDPGXWKZUISCX-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265577977 835155798 /nfs/dbraw/zinc/15/57/98/835155798.db2.gz QTDPGXWKZUISCX-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265784041 835172143 /nfs/dbraw/zinc/17/21/43/835172143.db2.gz UOTBKDKWONXHIM-OLZOCXBDSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001265786772 835173682 /nfs/dbraw/zinc/17/36/82/835173682.db2.gz UZMROLJHMNSSPZ-KGLIPLIRSA-N 2 1 321.425 -0.797 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC001265786772 835173685 /nfs/dbraw/zinc/17/36/85/835173685.db2.gz UZMROLJHMNSSPZ-KGLIPLIRSA-N 2 1 321.425 -0.797 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C(C)C)CCO2)CCCO1 ZINC001201245242 835177403 /nfs/dbraw/zinc/17/74/03/835177403.db2.gz DXINPAOSGRYTLM-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CCCO1 ZINC001201245242 835177407 /nfs/dbraw/zinc/17/74/07/835177407.db2.gz DXINPAOSGRYTLM-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201638690 835200893 /nfs/dbraw/zinc/20/08/93/835200893.db2.gz CACIUQJLLGGRBK-HNNXBMFYSA-N 2 1 309.410 -0.451 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037636 835220094 /nfs/dbraw/zinc/22/00/94/835220094.db2.gz VSGAANNCPQFNKY-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037636 835220098 /nfs/dbraw/zinc/22/00/98/835220098.db2.gz VSGAANNCPQFNKY-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037637 835220568 /nfs/dbraw/zinc/22/05/68/835220568.db2.gz VSGAANNCPQFNKY-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037637 835220576 /nfs/dbraw/zinc/22/05/76/835220576.db2.gz VSGAANNCPQFNKY-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058607 835229649 /nfs/dbraw/zinc/22/96/49/835229649.db2.gz LLVWEOYNLTUQTJ-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202109270 835232611 /nfs/dbraw/zinc/23/26/11/835232611.db2.gz OCZGPPLGHCAVOW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202109270 835232617 /nfs/dbraw/zinc/23/26/17/835232617.db2.gz OCZGPPLGHCAVOW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001266145811 835236488 /nfs/dbraw/zinc/23/64/88/835236488.db2.gz DJIWKOPYPYGDGR-SOUVJXGZSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[N@H+](C)CC)CC1 ZINC001203203143 835286480 /nfs/dbraw/zinc/28/64/80/835286480.db2.gz HEAXHMGKIQXCKA-UHFFFAOYSA-N 2 1 308.426 -0.342 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001266349888 835289601 /nfs/dbraw/zinc/28/96/01/835289601.db2.gz BQIIYQMCFSZOGO-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001266349888 835289608 /nfs/dbraw/zinc/28/96/08/835289608.db2.gz BQIIYQMCFSZOGO-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203337312 835293307 /nfs/dbraw/zinc/29/33/07/835293307.db2.gz GLQRMXFCMPHEPE-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCCN1CC(=O)NCC#N ZINC001266491778 835320036 /nfs/dbraw/zinc/32/00/36/835320036.db2.gz BPUJXYLURWOYJU-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518239 835326325 /nfs/dbraw/zinc/32/63/25/835326325.db2.gz WTPGHPFOPBEUET-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@@H+](CC(=O)NC[C@H]1CC[NH+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518239 835326341 /nfs/dbraw/zinc/32/63/41/835326341.db2.gz WTPGHPFOPBEUET-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](CC(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518239 835326350 /nfs/dbraw/zinc/32/63/50/835326350.db2.gz WTPGHPFOPBEUET-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](CC(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)C1CCC1 ZINC001266518239 835326359 /nfs/dbraw/zinc/32/63/59/835326359.db2.gz WTPGHPFOPBEUET-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001204798027 835327380 /nfs/dbraw/zinc/32/73/80/835327380.db2.gz DLINBPFCUDHOJH-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001266539995 835333237 /nfs/dbraw/zinc/33/32/37/835333237.db2.gz MYWDWOAMNQXTDG-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001266539995 835333245 /nfs/dbraw/zinc/33/32/45/835333245.db2.gz MYWDWOAMNQXTDG-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001266539995 835333254 /nfs/dbraw/zinc/33/32/54/835333254.db2.gz MYWDWOAMNQXTDG-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C[N@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266599693 835344290 /nfs/dbraw/zinc/34/42/90/835344290.db2.gz TWBXAZOHVALHMI-IHRRRGAJSA-N 2 1 321.425 -0.263 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770125 835380645 /nfs/dbraw/zinc/38/06/45/835380645.db2.gz OVRSDBAZUZUBCO-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@@H]2CCC[NH+](CC(=O)NCC#N)C2)C1 ZINC001266770125 835380654 /nfs/dbraw/zinc/38/06/54/835380654.db2.gz OVRSDBAZUZUBCO-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001266770125 835380662 /nfs/dbraw/zinc/38/06/62/835380662.db2.gz OVRSDBAZUZUBCO-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[NH+]1CC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001266770125 835380668 /nfs/dbraw/zinc/38/06/68/835380668.db2.gz OVRSDBAZUZUBCO-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC)CC1 ZINC001266911464 835405275 /nfs/dbraw/zinc/40/52/75/835405275.db2.gz HJVCRHLHNDVNFE-NRXISQOPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(=O)NC)CC1 ZINC001266911464 835405279 /nfs/dbraw/zinc/40/52/79/835405279.db2.gz HJVCRHLHNDVNFE-NRXISQOPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001206890609 835423961 /nfs/dbraw/zinc/42/39/61/835423961.db2.gz ZUZOPSGYVOZKLM-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206927817 835436928 /nfs/dbraw/zinc/43/69/28/835436928.db2.gz RTIDPKRXSNENPP-AWEZNQCLSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@H]1CCCCN1C ZINC001267271340 835472944 /nfs/dbraw/zinc/47/29/44/835472944.db2.gz TVRWDHHAHKMZGX-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001267354343 835492624 /nfs/dbraw/zinc/49/26/24/835492624.db2.gz KBOSRZXFMKECIG-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001267383863 835498974 /nfs/dbraw/zinc/49/89/74/835498974.db2.gz BWHNLODZZNGGCZ-CYBMUJFWSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)CC[NH+](C)C)C1 ZINC001267570040 835532706 /nfs/dbraw/zinc/53/27/06/835532706.db2.gz HNNMFCJFMNSSFV-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267594749 835538119 /nfs/dbraw/zinc/53/81/19/835538119.db2.gz BRTCUIOPNBDCHA-GJZGRUSLSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267594749 835538128 /nfs/dbraw/zinc/53/81/28/835538128.db2.gz BRTCUIOPNBDCHA-GJZGRUSLSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267594749 835538129 /nfs/dbraw/zinc/53/81/29/835538129.db2.gz BRTCUIOPNBDCHA-GJZGRUSLSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267709548 835572159 /nfs/dbraw/zinc/57/21/59/835572159.db2.gz XGUCGVCNUQKYAP-CQSZACIVSA-N 2 1 317.393 -0.587 20 30 DBEDMP C#CCNC(=O)CN(C)C[C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001267709548 835572165 /nfs/dbraw/zinc/57/21/65/835572165.db2.gz XGUCGVCNUQKYAP-CQSZACIVSA-N 2 1 317.393 -0.587 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267766487 835592152 /nfs/dbraw/zinc/59/21/52/835592152.db2.gz JGABCYOXWSNGCK-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C[C@H](O)COC)C1 ZINC001267766487 835592142 /nfs/dbraw/zinc/59/21/42/835592142.db2.gz JGABCYOXWSNGCK-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C[C@H](O)COC)C1 ZINC001267766487 835592145 /nfs/dbraw/zinc/59/21/45/835592145.db2.gz JGABCYOXWSNGCK-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C[C@H](O)COC)C1 ZINC001267766487 835592161 /nfs/dbraw/zinc/59/21/61/835592161.db2.gz JGABCYOXWSNGCK-JYJNAYRXSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001267953084 835612120 /nfs/dbraw/zinc/61/21/20/835612120.db2.gz FDODZKMLTLWZGK-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)C1 ZINC001267969179 835614450 /nfs/dbraw/zinc/61/44/50/835614450.db2.gz HHCBVXOCXOBADF-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)C1 ZINC001267969179 835614453 /nfs/dbraw/zinc/61/44/53/835614453.db2.gz HHCBVXOCXOBADF-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966651 835614718 /nfs/dbraw/zinc/61/47/18/835614718.db2.gz NWNNMHNAWPRWEX-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001267966651 835614722 /nfs/dbraw/zinc/61/47/22/835614722.db2.gz NWNNMHNAWPRWEX-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268014069 835620089 /nfs/dbraw/zinc/62/00/89/835620089.db2.gz KIUURWDIQHIDKK-NSHDSACASA-N 2 1 306.370 -0.827 20 30 DBEDMP COCC#CC[NH2+]C[C@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001268088879 835631570 /nfs/dbraw/zinc/63/15/70/835631570.db2.gz AWKXVAVJAKRFSG-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001268500703 835710164 /nfs/dbraw/zinc/71/01/64/835710164.db2.gz JMSSHKHSKWKHMA-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001268500703 835710169 /nfs/dbraw/zinc/71/01/69/835710169.db2.gz JMSSHKHSKWKHMA-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268759015 835802482 /nfs/dbraw/zinc/80/24/82/835802482.db2.gz HTAWKBSRJOXCEJ-KGLIPLIRSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268759015 835802489 /nfs/dbraw/zinc/80/24/89/835802489.db2.gz HTAWKBSRJOXCEJ-KGLIPLIRSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759015 835802495 /nfs/dbraw/zinc/80/24/95/835802495.db2.gz HTAWKBSRJOXCEJ-KGLIPLIRSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759015 835802501 /nfs/dbraw/zinc/80/25/01/835802501.db2.gz HTAWKBSRJOXCEJ-KGLIPLIRSA-N 2 1 310.442 -0.099 20 30 DBEDMP COCC#CC[NH2+]CCCN(C)C(=O)CC[NH+]1CCOCC1 ZINC001268881032 835833172 /nfs/dbraw/zinc/83/31/72/835833172.db2.gz JXWKERKOHNNAKL-UHFFFAOYSA-N 2 1 311.426 -0.203 20 30 DBEDMP C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373873 1013164181 /nfs/dbraw/zinc/16/41/81/1013164181.db2.gz YFUFITGXOPPTJQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373873 1013164189 /nfs/dbraw/zinc/16/41/89/1013164189.db2.gz YFUFITGXOPPTJQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485373873 1013164200 /nfs/dbraw/zinc/16/42/00/1013164200.db2.gz YFUFITGXOPPTJQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485373873 1013164207 /nfs/dbraw/zinc/16/42/07/1013164207.db2.gz YFUFITGXOPPTJQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385559 1013177355 /nfs/dbraw/zinc/17/73/55/1013177355.db2.gz LPRMYEGJEPPKAL-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)C[NH+]1CCCC1 ZINC001485385559 1013177362 /nfs/dbraw/zinc/17/73/62/1013177362.db2.gz LPRMYEGJEPPKAL-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC#CC[NH2+][C@H](C)[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001485648005 1013309794 /nfs/dbraw/zinc/30/97/94/1013309794.db2.gz WCOPFAUJNKIUJM-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH2+][C@H](C)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001485935268 1013439078 /nfs/dbraw/zinc/43/90/78/1013439078.db2.gz QLUYRIMBYVUTLX-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1C ZINC001486090930 1013668121 /nfs/dbraw/zinc/66/81/21/1013668121.db2.gz DZVAMVRCXSNTQY-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207733903 978249042 /nfs/dbraw/zinc/24/90/42/978249042.db2.gz AQCDIYLTUJCPQF-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207733903 978249054 /nfs/dbraw/zinc/24/90/54/978249054.db2.gz AQCDIYLTUJCPQF-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)C1 ZINC001207750734 978255066 /nfs/dbraw/zinc/25/50/66/978255066.db2.gz WKGFIFRFJCSXQS-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[N@H+](C)CC)C1 ZINC001207750734 978255072 /nfs/dbraw/zinc/25/50/72/978255072.db2.gz WKGFIFRFJCSXQS-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750734 978255076 /nfs/dbraw/zinc/25/50/76/978255076.db2.gz WKGFIFRFJCSXQS-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C(C)(C)[NH+](C)CC)C1 ZINC001207750734 978255081 /nfs/dbraw/zinc/25/50/81/978255081.db2.gz WKGFIFRFJCSXQS-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001208070316 978315751 /nfs/dbraw/zinc/31/57/51/978315751.db2.gz IXZBQBFJBSQZAV-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209630663 978465843 /nfs/dbraw/zinc/46/58/43/978465843.db2.gz AUWOQZLKXAQJCA-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001209630666 978466672 /nfs/dbraw/zinc/46/66/72/978466672.db2.gz AUWOQZLKXAQJCA-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001209641345 978469446 /nfs/dbraw/zinc/46/94/46/978469446.db2.gz ISMLRFXCGMQFBW-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643631 978469876 /nfs/dbraw/zinc/46/98/76/978469876.db2.gz UOYRONZIMPSNPR-KBPBESRZSA-N 2 1 321.425 -0.451 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330407 978508715 /nfs/dbraw/zinc/50/87/15/978508715.db2.gz XMLAAZZBZVJFOO-ZIAGYGMSSA-N 2 1 320.437 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001210330407 978508718 /nfs/dbraw/zinc/50/87/18/978508718.db2.gz XMLAAZZBZVJFOO-ZIAGYGMSSA-N 2 1 320.437 -0.179 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210789705 978533326 /nfs/dbraw/zinc/53/33/26/978533326.db2.gz QXAWAEPYWJRDCK-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210789385 978534510 /nfs/dbraw/zinc/53/45/10/978534510.db2.gz OIZPVFLDFDZAEE-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638518 978681732 /nfs/dbraw/zinc/68/17/32/978681732.db2.gz RXOPFHANWPIXFI-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214662184 978746337 /nfs/dbraw/zinc/74/63/37/978746337.db2.gz XJGKGDMMHVVMHH-AAVRWANBSA-N 2 1 321.425 -0.597 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@H]1C ZINC001215540568 978773344 /nfs/dbraw/zinc/77/33/44/978773344.db2.gz MOHJBJCFHAYZQC-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351717 979175867 /nfs/dbraw/zinc/17/58/67/979175867.db2.gz GDRHYQUUJPNTDY-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351717 979175870 /nfs/dbraw/zinc/17/58/70/979175870.db2.gz GDRHYQUUJPNTDY-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351717 979175874 /nfs/dbraw/zinc/17/58/74/979175874.db2.gz GDRHYQUUJPNTDY-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCC[C@@H]2C)[C@@H](O)C1 ZINC001220351717 979175879 /nfs/dbraw/zinc/17/58/79/979175879.db2.gz GDRHYQUUJPNTDY-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355379 979177134 /nfs/dbraw/zinc/17/71/34/979177134.db2.gz NURTWGWCNYEZRB-KFWWJZLASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355379 979177140 /nfs/dbraw/zinc/17/71/40/979177140.db2.gz NURTWGWCNYEZRB-KFWWJZLASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355379 979177144 /nfs/dbraw/zinc/17/71/44/979177144.db2.gz NURTWGWCNYEZRB-KFWWJZLASA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@@H](O)C1 ZINC001220355379 979177151 /nfs/dbraw/zinc/17/71/51/979177151.db2.gz NURTWGWCNYEZRB-KFWWJZLASA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387105 979187032 /nfs/dbraw/zinc/18/70/32/979187032.db2.gz BVGOZDZRGHWJOJ-XHSDSOJGSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220643306 979253206 /nfs/dbraw/zinc/25/32/06/979253206.db2.gz ZPDPVAFNWSKABL-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793249 979465223 /nfs/dbraw/zinc/46/52/23/979465223.db2.gz XSCMBLFRXVCQPX-RRFJBIMHSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793249 979465229 /nfs/dbraw/zinc/46/52/29/979465229.db2.gz XSCMBLFRXVCQPX-RRFJBIMHSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001225577404 979598240 /nfs/dbraw/zinc/59/82/40/979598240.db2.gz GFMQJGJSEDJWIF-UHFFFAOYSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC001229504546 979677574 /nfs/dbraw/zinc/67/75/74/979677574.db2.gz VKUDQEIJRRAYOS-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001331074768 979854509 /nfs/dbraw/zinc/85/45/09/979854509.db2.gz NRFXOFUQZXTACJ-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001331074768 979854515 /nfs/dbraw/zinc/85/45/15/979854515.db2.gz NRFXOFUQZXTACJ-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP O=C(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)C1N=CC=CC1=O ZINC001348446938 980308462 /nfs/dbraw/zinc/30/84/62/980308462.db2.gz MGGYFXXYHDGDAQ-TZFAWSOVSA-N 2 1 308.382 -0.441 20 30 DBEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001489155947 1014687900 /nfs/dbraw/zinc/68/79/00/1014687900.db2.gz PIIMRNVOUZHJFP-CABCVRRESA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[NH+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001489155947 1014687917 /nfs/dbraw/zinc/68/79/17/1014687917.db2.gz PIIMRNVOUZHJFP-CABCVRRESA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489155947 1014687930 /nfs/dbraw/zinc/68/79/30/1014687930.db2.gz PIIMRNVOUZHJFP-CABCVRRESA-N 2 1 311.426 -0.212 20 30 DBEDMP C=CC[N@H+](CCO)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001489155947 1014687937 /nfs/dbraw/zinc/68/79/37/1014687937.db2.gz PIIMRNVOUZHJFP-CABCVRRESA-N 2 1 311.426 -0.212 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[N@@H+](C)CC)C1 ZINC001356772523 980979945 /nfs/dbraw/zinc/97/99/45/980979945.db2.gz QIYFQTAXZPGTIR-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[N@H+](C)CC)C1 ZINC001356772523 980979949 /nfs/dbraw/zinc/97/99/49/980979949.db2.gz QIYFQTAXZPGTIR-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)CC)C1 ZINC001356772523 980979952 /nfs/dbraw/zinc/97/99/52/980979952.db2.gz QIYFQTAXZPGTIR-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)CC[NH+](C)CC)C1 ZINC001356772523 980979957 /nfs/dbraw/zinc/97/99/57/980979957.db2.gz QIYFQTAXZPGTIR-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001490270351 1014911377 /nfs/dbraw/zinc/91/13/77/1014911377.db2.gz LSOUNTPVSYIDGA-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001490270351 1014911388 /nfs/dbraw/zinc/91/13/88/1014911388.db2.gz LSOUNTPVSYIDGA-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001490270351 1014911397 /nfs/dbraw/zinc/91/13/97/1014911397.db2.gz LSOUNTPVSYIDGA-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]([C@H](C)C(N)=O)C1CC1 ZINC001490376421 1014946000 /nfs/dbraw/zinc/94/60/00/1014946000.db2.gz LGCZKCCXUAAFIY-HIFRSBDPSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]([C@H](C)C(N)=O)C1CC1 ZINC001490376421 1014946012 /nfs/dbraw/zinc/94/60/12/1014946012.db2.gz LGCZKCCXUAAFIY-HIFRSBDPSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]([C@H](C)C(N)=O)C1CC1 ZINC001490376421 1014946026 /nfs/dbraw/zinc/94/60/26/1014946026.db2.gz LGCZKCCXUAAFIY-HIFRSBDPSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]([C@H](C)C(N)=O)C1CC1 ZINC001490376421 1014946035 /nfs/dbraw/zinc/94/60/35/1014946035.db2.gz LGCZKCCXUAAFIY-HIFRSBDPSA-N 2 1 320.437 -0.072 20 30 DBEDMP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490421348 1014958488 /nfs/dbraw/zinc/95/84/88/1014958488.db2.gz SDRAAKOGCCEIDI-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP CN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC001490421348 1014958500 /nfs/dbraw/zinc/95/85/00/1014958500.db2.gz SDRAAKOGCCEIDI-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490911574 1015161928 /nfs/dbraw/zinc/16/19/28/1015161928.db2.gz PRZMGRMHAMWRBO-MGPQQGTHSA-N 2 1 317.393 -0.434 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001491026260 1015196654 /nfs/dbraw/zinc/19/66/54/1015196654.db2.gz LOYAAITXIWSDLU-MJBXVCDLSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC)C1 ZINC001491026260 1015196658 /nfs/dbraw/zinc/19/66/58/1015196658.db2.gz LOYAAITXIWSDLU-MJBXVCDLSA-N 2 1 306.410 -0.543 20 30 DBEDMP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001491126247 1015246276 /nfs/dbraw/zinc/24/62/76/1015246276.db2.gz MLYCAWLEJWFLBG-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001491126247 1015246284 /nfs/dbraw/zinc/24/62/84/1015246284.db2.gz MLYCAWLEJWFLBG-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001491126247 1015246290 /nfs/dbraw/zinc/24/62/90/1015246290.db2.gz MLYCAWLEJWFLBG-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001491126247 1015246300 /nfs/dbraw/zinc/24/63/00/1015246300.db2.gz MLYCAWLEJWFLBG-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001491126245 1015246695 /nfs/dbraw/zinc/24/66/95/1015246695.db2.gz MLYCAWLEJWFLBG-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC(=O)NCC#N)C1 ZINC001491126245 1015246699 /nfs/dbraw/zinc/24/66/99/1015246699.db2.gz MLYCAWLEJWFLBG-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001491126245 1015246705 /nfs/dbraw/zinc/24/67/05/1015246705.db2.gz MLYCAWLEJWFLBG-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001491126245 1015246712 /nfs/dbraw/zinc/24/67/12/1015246712.db2.gz MLYCAWLEJWFLBG-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001491560556 1015490090 /nfs/dbraw/zinc/49/00/90/1015490090.db2.gz PUYFPWIXWBOGDO-AGIUHOORSA-N 2 1 309.414 -0.549 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001491826191 1015642629 /nfs/dbraw/zinc/64/26/29/1015642629.db2.gz RTSHMMMNIRAFQB-KBPBESRZSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890753 1015664678 /nfs/dbraw/zinc/66/46/78/1015664678.db2.gz FSRSVKJZKSMOAV-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446006 1015933273 /nfs/dbraw/zinc/93/32/73/1015933273.db2.gz UTQNJAVJOGJSCO-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446006 1015933293 /nfs/dbraw/zinc/93/32/93/1015933293.db2.gz UTQNJAVJOGJSCO-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446006 1015933314 /nfs/dbraw/zinc/93/33/14/1015933314.db2.gz UTQNJAVJOGJSCO-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CC[C@H](C(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001493446006 1015933330 /nfs/dbraw/zinc/93/33/30/1015933330.db2.gz UTQNJAVJOGJSCO-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001493664898 1016031366 /nfs/dbraw/zinc/03/13/66/1016031366.db2.gz RKJCEWPVEQYRES-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001421271517 1000426993 /nfs/dbraw/zinc/42/69/93/1000426993.db2.gz BMDAAQZIWMPBPD-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCN(CCC#N)C(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001421271517 1000426996 /nfs/dbraw/zinc/42/69/96/1000426996.db2.gz BMDAAQZIWMPBPD-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410777969 1000899613 /nfs/dbraw/zinc/89/96/13/1000899613.db2.gz BWABQNPLMMKMFC-QWRGUYRKSA-N 2 1 320.231 -0.087 20 30 DBEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410777969 1000899616 /nfs/dbraw/zinc/89/96/16/1000899616.db2.gz BWABQNPLMMKMFC-QWRGUYRKSA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnnn1C ZINC001495002264 1016515633 /nfs/dbraw/zinc/51/56/33/1016515633.db2.gz JWZLVJWGBNKVSB-HIFRSBDPSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cnnn1C ZINC001495002264 1016515647 /nfs/dbraw/zinc/51/56/47/1016515647.db2.gz JWZLVJWGBNKVSB-HIFRSBDPSA-N 2 1 318.425 -0.103 20 30 DBEDMP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573762 1016954974 /nfs/dbraw/zinc/95/49/74/1016954974.db2.gz HQEXIUKJSDLXBC-KGLIPLIRSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784258 1010382847 /nfs/dbraw/zinc/38/28/47/1010382847.db2.gz DZRRCLJSPGQQLU-CQSZACIVSA-N 2 1 319.409 -0.232 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784258 1010382856 /nfs/dbraw/zinc/38/28/56/1010382856.db2.gz DZRRCLJSPGQQLU-CQSZACIVSA-N 2 1 319.409 -0.232 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001480038261 1010508850 /nfs/dbraw/zinc/50/88/50/1010508850.db2.gz FAVZJEQSXSGBDU-QWHCGFSZSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001480209467 1010575128 /nfs/dbraw/zinc/57/51/28/1010575128.db2.gz VEVRZZVJDXOGQI-XHSDSOJGSA-N 2 1 303.406 -0.029 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC#CCOC)C1 ZINC001480209467 1010575136 /nfs/dbraw/zinc/57/51/36/1010575136.db2.gz VEVRZZVJDXOGQI-XHSDSOJGSA-N 2 1 303.406 -0.029 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001480267353 1010598686 /nfs/dbraw/zinc/59/86/86/1010598686.db2.gz LKYWVPNGZIKBRF-OAHLLOKOSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001480267353 1010598695 /nfs/dbraw/zinc/59/86/95/1010598695.db2.gz LKYWVPNGZIKBRF-OAHLLOKOSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001480267353 1010598704 /nfs/dbraw/zinc/59/87/04/1010598704.db2.gz LKYWVPNGZIKBRF-OAHLLOKOSA-N 2 1 322.453 -0.094 20 30 DBEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521607 1010678626 /nfs/dbraw/zinc/67/86/26/1010678626.db2.gz KOTDJEMLWJOEIG-KBPBESRZSA-N 2 1 323.441 -0.158 20 30 DBEDMP CCC[N@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521623 1010678932 /nfs/dbraw/zinc/67/89/32/1010678932.db2.gz KOTDJEMLWJOEIG-KGLIPLIRSA-N 2 1 323.441 -0.158 20 30 DBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521627 1010679548 /nfs/dbraw/zinc/67/95/48/1010679548.db2.gz KOTDJEMLWJOEIG-ZIAGYGMSSA-N 2 1 323.441 -0.158 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001480616228 1010718919 /nfs/dbraw/zinc/71/89/19/1010718919.db2.gz HWBHFMUTPRPMGN-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001480615964 1010719191 /nfs/dbraw/zinc/71/91/91/1010719191.db2.gz RZPKYGHCXOWIRY-GJZGRUSLSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001480615964 1010719213 /nfs/dbraw/zinc/71/92/13/1010719213.db2.gz RZPKYGHCXOWIRY-GJZGRUSLSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001480649494 1010729720 /nfs/dbraw/zinc/72/97/20/1010729720.db2.gz WWXDSWLVXFIDJI-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[C@@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001480765252 1010756389 /nfs/dbraw/zinc/75/63/89/1010756389.db2.gz CIHQLXVYTXYNCU-YNEHKIRRSA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCN1CCNC1=O ZINC001480874353 1010785954 /nfs/dbraw/zinc/78/59/54/1010785954.db2.gz ASQJUUMHGGLXDB-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCN1CCNC1=O ZINC001480874353 1010785956 /nfs/dbraw/zinc/78/59/56/1010785956.db2.gz ASQJUUMHGGLXDB-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001480874353 1010785960 /nfs/dbraw/zinc/78/59/60/1010785960.db2.gz ASQJUUMHGGLXDB-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1CCNC1=O ZINC001480874353 1010785962 /nfs/dbraw/zinc/78/59/62/1010785962.db2.gz ASQJUUMHGGLXDB-AWEZNQCLSA-N 2 1 321.425 -0.843 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480936894 1010809451 /nfs/dbraw/zinc/80/94/51/1010809451.db2.gz VATZNGOTFHRYDA-ZDUSSCGKSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001480936894 1010809452 /nfs/dbraw/zinc/80/94/52/1010809452.db2.gz VATZNGOTFHRYDA-ZDUSSCGKSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001481132140 1010843729 /nfs/dbraw/zinc/84/37/29/1010843729.db2.gz DXZCKLHDGOODBB-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001481132140 1010843733 /nfs/dbraw/zinc/84/37/33/1010843733.db2.gz DXZCKLHDGOODBB-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001481132140 1010843735 /nfs/dbraw/zinc/84/37/35/1010843735.db2.gz DXZCKLHDGOODBB-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001481132140 1010843737 /nfs/dbraw/zinc/84/37/37/1010843737.db2.gz DXZCKLHDGOODBB-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001481278939 1010880082 /nfs/dbraw/zinc/88/00/82/1010880082.db2.gz COBPYPLVTSJVMD-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP CC(C)[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001481358097 1010892821 /nfs/dbraw/zinc/89/28/21/1010892821.db2.gz MIRGRPSDZHSMCA-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001481358097 1010892823 /nfs/dbraw/zinc/89/28/23/1010892823.db2.gz MIRGRPSDZHSMCA-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001481358097 1010892827 /nfs/dbraw/zinc/89/28/27/1010892827.db2.gz MIRGRPSDZHSMCA-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001481824288 1011009900 /nfs/dbraw/zinc/00/99/00/1011009900.db2.gz SAWNYPHBJKCFDN-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001482167477 1011070357 /nfs/dbraw/zinc/07/03/57/1011070357.db2.gz FDNHRQFBDLOXFP-CHWSQXEVSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)C(C)C ZINC001482537456 1011171492 /nfs/dbraw/zinc/17/14/92/1011171492.db2.gz CRBQBUMKSHYNRE-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C(C)C ZINC001482536713 1011172449 /nfs/dbraw/zinc/17/24/49/1011172449.db2.gz ZCSFYUSISJUMMP-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)N(C)C)C(C)C ZINC001482536713 1011172461 /nfs/dbraw/zinc/17/24/61/1011172461.db2.gz ZCSFYUSISJUMMP-GJZGRUSLSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001482768264 1011416228 /nfs/dbraw/zinc/41/62/28/1011416228.db2.gz SIPSJKSSPHJOLZ-HIFRSBDPSA-N 2 1 304.394 -0.156 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC001482970168 1011567601 /nfs/dbraw/zinc/56/76/01/1011567601.db2.gz OVRPFZQKKIVQNX-OKILXGFUSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001483096505 1011684538 /nfs/dbraw/zinc/68/45/38/1011684538.db2.gz CDGFXSSLCFMPCZ-ISZGNANSSA-N 2 1 321.425 -0.237 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380074 1011860042 /nfs/dbraw/zinc/86/00/42/1011860042.db2.gz CXHKGTINBJLZPO-DZGCQCFKSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001483380074 1011860044 /nfs/dbraw/zinc/86/00/44/1011860044.db2.gz CXHKGTINBJLZPO-DZGCQCFKSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001483740478 1012103848 /nfs/dbraw/zinc/10/38/48/1012103848.db2.gz HYZHLWAUKRFLOV-UHFFFAOYSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001484045872 1012275250 /nfs/dbraw/zinc/27/52/50/1012275250.db2.gz XZHXAXGUONNDKY-CPUCHLNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001484045872 1012275270 /nfs/dbraw/zinc/27/52/70/1012275270.db2.gz XZHXAXGUONNDKY-CPUCHLNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045872 1012275285 /nfs/dbraw/zinc/27/52/85/1012275285.db2.gz XZHXAXGUONNDKY-CPUCHLNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001484045872 1012275298 /nfs/dbraw/zinc/27/52/98/1012275298.db2.gz XZHXAXGUONNDKY-CPUCHLNUSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001484253620 1012466196 /nfs/dbraw/zinc/46/61/96/1012466196.db2.gz YVLZOEINYKOLHM-RHSMWYFYSA-N 2 1 323.437 -0.735 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)[C@H]1CCCC[N@H+]1C ZINC001484488356 1012722617 /nfs/dbraw/zinc/72/26/17/1012722617.db2.gz XNJYZZZWIPNJPS-OAHLLOKOSA-N 2 1 311.426 -0.469 20 30 DBEDMP C#CC[NH2+]CCN(CCO)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001484494005 1012730699 /nfs/dbraw/zinc/73/06/99/1012730699.db2.gz NHFGPQLIFGHCGY-UHFFFAOYSA-N 2 1 320.393 -0.072 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001497078398 1017245486 /nfs/dbraw/zinc/24/54/86/1017245486.db2.gz XRBNKTQPSMSFRU-GFCCVEGCSA-N 2 1 305.806 -0.472 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586530 1017432738 /nfs/dbraw/zinc/43/27/38/1017432738.db2.gz WMNVZZPMIHMANY-DWMWFBOSSA-N 2 1 320.437 -0.274 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)N(C)C ZINC001497602369 1017440125 /nfs/dbraw/zinc/44/01/25/1017440125.db2.gz XIAKTINHHOXTJJ-CNBITHIKSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)C(=O)N(C)C ZINC001497602369 1017440135 /nfs/dbraw/zinc/44/01/35/1017440135.db2.gz XIAKTINHHOXTJJ-CNBITHIKSA-N 2 1 320.437 -0.177 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)C ZINC001497830100 1017515817 /nfs/dbraw/zinc/51/58/17/1017515817.db2.gz NUCCVNMEBUPQKN-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC(C)C ZINC001497830100 1017515825 /nfs/dbraw/zinc/51/58/25/1017515825.db2.gz NUCCVNMEBUPQKN-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497888889 1017539684 /nfs/dbraw/zinc/53/96/84/1017539684.db2.gz AKRDNGFIRZDCEI-BARDWOONSA-N 2 1 322.453 -0.051 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001498055886 1017597420 /nfs/dbraw/zinc/59/74/20/1017597420.db2.gz XVDMYWRMYBJCPI-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+](C)C1CCC1 ZINC001498311310 1017730825 /nfs/dbraw/zinc/73/08/25/1017730825.db2.gz DQORMRXVVFARPL-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+](C)C1CCC1 ZINC001498311310 1017730814 /nfs/dbraw/zinc/73/08/14/1017730814.db2.gz DQORMRXVVFARPL-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001498311310 1017730835 /nfs/dbraw/zinc/73/08/35/1017730835.db2.gz DQORMRXVVFARPL-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498311310 1017730846 /nfs/dbraw/zinc/73/08/46/1017730846.db2.gz DQORMRXVVFARPL-LBPRGKRZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374165 1017757822 /nfs/dbraw/zinc/75/78/22/1017757822.db2.gz CGJNYSVUGBTKNV-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374165 1017757847 /nfs/dbraw/zinc/75/78/47/1017757847.db2.gz CGJNYSVUGBTKNV-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374906 1017759734 /nfs/dbraw/zinc/75/97/34/1017759734.db2.gz JIHXBGPDLNEZFG-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374906 1017759741 /nfs/dbraw/zinc/75/97/41/1017759741.db2.gz JIHXBGPDLNEZFG-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374907 1017761589 /nfs/dbraw/zinc/76/15/89/1017761589.db2.gz JIHXBGPDLNEZFG-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374907 1017761606 /nfs/dbraw/zinc/76/16/06/1017761606.db2.gz JIHXBGPDLNEZFG-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001500652781 1018386798 /nfs/dbraw/zinc/38/67/98/1018386798.db2.gz CGXXCOGEJMNSJM-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001500652781 1018386819 /nfs/dbraw/zinc/38/68/19/1018386819.db2.gz CGXXCOGEJMNSJM-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500652781 1018386838 /nfs/dbraw/zinc/38/68/38/1018386838.db2.gz CGXXCOGEJMNSJM-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500652781 1018386847 /nfs/dbraw/zinc/38/68/47/1018386847.db2.gz CGXXCOGEJMNSJM-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001500652779 1018390404 /nfs/dbraw/zinc/39/04/04/1018390404.db2.gz CGXXCOGEJMNSJM-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001500652779 1018390411 /nfs/dbraw/zinc/39/04/11/1018390411.db2.gz CGXXCOGEJMNSJM-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500652779 1018390424 /nfs/dbraw/zinc/39/04/24/1018390424.db2.gz CGXXCOGEJMNSJM-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500652779 1018390435 /nfs/dbraw/zinc/39/04/35/1018390435.db2.gz CGXXCOGEJMNSJM-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706635 1018420541 /nfs/dbraw/zinc/42/05/41/1018420541.db2.gz KLHBANHSHNVOJX-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500706635 1018420547 /nfs/dbraw/zinc/42/05/47/1018420547.db2.gz KLHBANHSHNVOJX-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500706635 1018420551 /nfs/dbraw/zinc/42/05/51/1018420551.db2.gz KLHBANHSHNVOJX-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001501354442 1018648923 /nfs/dbraw/zinc/64/89/23/1018648923.db2.gz XLOHQACBCZWFFI-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)CC[NH+]2CCOCC2)C1 ZINC001501354442 1018648931 /nfs/dbraw/zinc/64/89/31/1018648931.db2.gz XLOHQACBCZWFFI-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364677 1018652531 /nfs/dbraw/zinc/65/25/31/1018652531.db2.gz PVSDPFZBDAUIKP-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364677 1018652536 /nfs/dbraw/zinc/65/25/36/1018652536.db2.gz PVSDPFZBDAUIKP-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501364677 1018652540 /nfs/dbraw/zinc/65/25/40/1018652540.db2.gz PVSDPFZBDAUIKP-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501364677 1018652546 /nfs/dbraw/zinc/65/25/46/1018652546.db2.gz PVSDPFZBDAUIKP-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001501462258 1018758549 /nfs/dbraw/zinc/75/85/49/1018758549.db2.gz PEWIBAOJIUHFNJ-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]C[C@@H]1CCOC1 ZINC001501462258 1018758565 /nfs/dbraw/zinc/75/85/65/1018758565.db2.gz PEWIBAOJIUHFNJ-HOTGVXAUSA-N 2 1 323.437 -0.469 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022965 1019233759 /nfs/dbraw/zinc/23/37/59/1019233759.db2.gz IGZWSRZCPSWFAO-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022965 1019233771 /nfs/dbraw/zinc/23/37/71/1019233771.db2.gz IGZWSRZCPSWFAO-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022965 1019233778 /nfs/dbraw/zinc/23/37/78/1019233778.db2.gz IGZWSRZCPSWFAO-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC001503022965 1019233793 /nfs/dbraw/zinc/23/37/93/1019233793.db2.gz IGZWSRZCPSWFAO-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ncnn1C ZINC001503263445 1019240939 /nfs/dbraw/zinc/24/09/39/1019240939.db2.gz SXLLZRCNIQQSJQ-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ncnn1C ZINC001503263445 1019240941 /nfs/dbraw/zinc/24/09/41/1019240941.db2.gz SXLLZRCNIQQSJQ-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001505501668 1019329343 /nfs/dbraw/zinc/32/93/43/1019329343.db2.gz FDBBLZFWGLLIOF-NRXISQOPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)N(C)C)C1 ZINC001505501668 1019329361 /nfs/dbraw/zinc/32/93/61/1019329361.db2.gz FDBBLZFWGLLIOF-NRXISQOPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001576187946 1019822512 /nfs/dbraw/zinc/82/25/12/1019822512.db2.gz YYSRZNGWIKAQQG-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)CC[NH+](C)C)C1 ZINC001576187946 1019822515 /nfs/dbraw/zinc/82/25/15/1019822515.db2.gz YYSRZNGWIKAQQG-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@@H]2C1 ZINC001506825997 1019952347 /nfs/dbraw/zinc/95/23/47/1019952347.db2.gz OGPAFDFZEBKAJA-APIJFGDWSA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001507435617 1020323950 /nfs/dbraw/zinc/32/39/50/1020323950.db2.gz UNXYBMQSAGIFPU-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(=O)NC)C(C)(C)C1 ZINC001507435617 1020323954 /nfs/dbraw/zinc/32/39/54/1020323954.db2.gz UNXYBMQSAGIFPU-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP Cc1nn(C)c(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1C#N ZINC001579891488 1020587460 /nfs/dbraw/zinc/58/74/60/1020587460.db2.gz NQVVQPQGUIWXKU-UHFFFAOYSA-N 2 1 317.441 -0.373 20 30 DBEDMP C#CC[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001565815150 1024065866 /nfs/dbraw/zinc/06/58/66/1024065866.db2.gz XRMQWTABQUZZPL-HNNXBMFYSA-N 2 1 320.437 -0.436 20 30 DBEDMP C#CC[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)CC1 ZINC001565815150 1024065880 /nfs/dbraw/zinc/06/58/80/1024065880.db2.gz XRMQWTABQUZZPL-HNNXBMFYSA-N 2 1 320.437 -0.436 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1OCC ZINC001565955318 1024094976 /nfs/dbraw/zinc/09/49/76/1024094976.db2.gz MQRSNPFUCLICHT-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1OCC ZINC001565955318 1024094992 /nfs/dbraw/zinc/09/49/92/1024094992.db2.gz MQRSNPFUCLICHT-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NCCC[NH+](C)CC(=O)NCC#N)C1 ZINC001566491277 1024208596 /nfs/dbraw/zinc/20/85/96/1024208596.db2.gz SAJGQGKPEDGZGW-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NCCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001566491277 1024208619 /nfs/dbraw/zinc/20/86/19/1024208619.db2.gz SAJGQGKPEDGZGW-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NCCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001566491277 1024208636 /nfs/dbraw/zinc/20/86/36/1024208636.db2.gz SAJGQGKPEDGZGW-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001566733412 1024357908 /nfs/dbraw/zinc/35/79/08/1024357908.db2.gz QDRFXWWCPPEYPV-ZDUSSCGKSA-N 2 1 318.381 -0.684 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001566844696 1024389758 /nfs/dbraw/zinc/38/97/58/1024389758.db2.gz RUXWNIXCQCYVIG-FRRDWIJNSA-N 2 1 307.398 -0.653 20 30 DBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001566852783 1024391463 /nfs/dbraw/zinc/39/14/63/1024391463.db2.gz GOSAMCJTPLYYEE-BETUJISGSA-N 2 1 323.441 -0.159 20 30 DBEDMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001566876738 1024399900 /nfs/dbraw/zinc/39/99/00/1024399900.db2.gz KCDBCMHZYAMJRZ-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001566876738 1024399927 /nfs/dbraw/zinc/39/99/27/1024399927.db2.gz KCDBCMHZYAMJRZ-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(C)C ZINC001567024256 1024468408 /nfs/dbraw/zinc/46/84/08/1024468408.db2.gz JNSSWLKIMFYUGV-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC(C)C ZINC001567024256 1024468420 /nfs/dbraw/zinc/46/84/20/1024468420.db2.gz JNSSWLKIMFYUGV-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001567021592 1024470944 /nfs/dbraw/zinc/47/09/44/1024470944.db2.gz DKGHXDXRZOMWKH-KGLIPLIRSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC=C ZINC001567021592 1024470954 /nfs/dbraw/zinc/47/09/54/1024470954.db2.gz DKGHXDXRZOMWKH-KGLIPLIRSA-N 2 1 306.410 -0.520 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567096832 1024517470 /nfs/dbraw/zinc/51/74/70/1024517470.db2.gz UVIITGZDLVQYCL-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001567108997 1024525892 /nfs/dbraw/zinc/52/58/92/1024525892.db2.gz GCXQXKTXUMWAOQ-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001567108997 1024525904 /nfs/dbraw/zinc/52/59/04/1024525904.db2.gz GCXQXKTXUMWAOQ-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001567126990 1024536845 /nfs/dbraw/zinc/53/68/45/1024536845.db2.gz CDUVZZDUTIGXKG-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C[C@H](O)COC)C1 ZINC001567126990 1024536895 /nfs/dbraw/zinc/53/68/95/1024536895.db2.gz CDUVZZDUTIGXKG-JYJNAYRXSA-N 2 1 323.437 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001567146813 1024550401 /nfs/dbraw/zinc/55/04/01/1024550401.db2.gz JMXSMTXSBQMGJD-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153116 1024553947 /nfs/dbraw/zinc/55/39/47/1024553947.db2.gz HVILRXXYMIPBPZ-QWHCGFSZSA-N 2 1 307.398 -0.984 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CCNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001567238374 1024592063 /nfs/dbraw/zinc/59/20/63/1024592063.db2.gz UPSRJYYWKLCZLD-PBHICJAKSA-N 2 1 320.437 -0.294 20 30 DBEDMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416026 1024678152 /nfs/dbraw/zinc/67/81/52/1024678152.db2.gz SZMAWGBKIHPQKR-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416026 1024678173 /nfs/dbraw/zinc/67/81/73/1024678173.db2.gz SZMAWGBKIHPQKR-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567708508 1024812402 /nfs/dbraw/zinc/81/24/02/1024812402.db2.gz UATIGMDHSJPAOY-ZDUSSCGKSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001567731011 1024816161 /nfs/dbraw/zinc/81/61/61/1024816161.db2.gz HMOQFDITTDQLKQ-KBPBESRZSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001567731011 1024816162 /nfs/dbraw/zinc/81/61/62/1024816162.db2.gz HMOQFDITTDQLKQ-KBPBESRZSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001567731011 1024816163 /nfs/dbraw/zinc/81/61/63/1024816163.db2.gz HMOQFDITTDQLKQ-KBPBESRZSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001567731011 1024816164 /nfs/dbraw/zinc/81/61/64/1024816164.db2.gz HMOQFDITTDQLKQ-KBPBESRZSA-N 2 1 306.410 -0.650 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C)C1)C(C)C ZINC001568470105 1024907361 /nfs/dbraw/zinc/90/73/61/1024907361.db2.gz HMFLVOVGJGQZAA-UONOGXRCSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568849960 1025046651 /nfs/dbraw/zinc/04/66/51/1025046651.db2.gz CXSXAAGBPJVEQL-LLYBFZRZSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001568849959 1025048346 /nfs/dbraw/zinc/04/83/46/1025048346.db2.gz CXSXAAGBPJVEQL-IYKSTZQJSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O ZINC001568865564 1025053919 /nfs/dbraw/zinc/05/39/19/1025053919.db2.gz GPCKVSATHUPIGC-NWRQEBOHSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@@H]1CCN(C)C1=O ZINC001568865564 1025053932 /nfs/dbraw/zinc/05/39/32/1025053932.db2.gz GPCKVSATHUPIGC-NWRQEBOHSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCN(C)C1=O ZINC001568865566 1025054923 /nfs/dbraw/zinc/05/49/23/1025054923.db2.gz GPCKVSATHUPIGC-WFVIONGDSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCN(C)C1=O ZINC001568865566 1025054935 /nfs/dbraw/zinc/05/49/35/1025054935.db2.gz GPCKVSATHUPIGC-WFVIONGDSA-N 2 1 318.421 -0.423 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141183 1025156033 /nfs/dbraw/zinc/15/60/33/1025156033.db2.gz LZOFAOOMFHWOKI-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)CC1CC[NH+](C)CC1 ZINC001569141183 1025156042 /nfs/dbraw/zinc/15/60/42/1025156042.db2.gz LZOFAOOMFHWOKI-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)C ZINC001569211118 1025171812 /nfs/dbraw/zinc/17/18/12/1025171812.db2.gz ORAZWPIRBHLDBG-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)N(C)C ZINC001569211118 1025171824 /nfs/dbraw/zinc/17/18/24/1025171824.db2.gz ORAZWPIRBHLDBG-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001569654951 1025302353 /nfs/dbraw/zinc/30/23/53/1025302353.db2.gz NYTDZWLZCMRCSR-MRXNPFEDSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001569654951 1025302360 /nfs/dbraw/zinc/30/23/60/1025302360.db2.gz NYTDZWLZCMRCSR-MRXNPFEDSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654951 1025302371 /nfs/dbraw/zinc/30/23/71/1025302371.db2.gz NYTDZWLZCMRCSR-MRXNPFEDSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001569654951 1025302385 /nfs/dbraw/zinc/30/23/85/1025302385.db2.gz NYTDZWLZCMRCSR-MRXNPFEDSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163718 1025510184 /nfs/dbraw/zinc/51/01/84/1025510184.db2.gz OINNRHBTECQIDC-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163718 1025510202 /nfs/dbraw/zinc/51/02/02/1025510202.db2.gz OINNRHBTECQIDC-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001570294507 1025564335 /nfs/dbraw/zinc/56/43/35/1025564335.db2.gz WEBKRKKKTHBCCH-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001570294507 1025564356 /nfs/dbraw/zinc/56/43/56/1025564356.db2.gz WEBKRKKKTHBCCH-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001570294277 1025567567 /nfs/dbraw/zinc/56/75/67/1025567567.db2.gz RFIBTHNFDNJTMC-NVXWUHKLSA-N 2 1 323.437 -0.469 20 30 DBEDMP C[C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001570343777 1025581114 /nfs/dbraw/zinc/58/11/14/1025581114.db2.gz DORWYGKCPBCSBN-JSGCOSHPSA-N 2 1 321.425 -0.453 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001570384850 1025594877 /nfs/dbraw/zinc/59/48/77/1025594877.db2.gz TVSPQIBSDNRMPE-UHFFFAOYSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001570671026 1025701116 /nfs/dbraw/zinc/70/11/16/1025701116.db2.gz GNDCXELAHCAXAJ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570710287 1025706423 /nfs/dbraw/zinc/70/64/23/1025706423.db2.gz FVJYAMDILJRWCB-DZGCQCFKSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570710287 1025706460 /nfs/dbraw/zinc/70/64/60/1025706460.db2.gz FVJYAMDILJRWCB-DZGCQCFKSA-N 2 1 320.437 -0.486 20 30 DBEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CC(=O)NCC#N ZINC001570754116 1025736379 /nfs/dbraw/zinc/73/63/79/1025736379.db2.gz XFDHHPHXTZIISD-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@@H+](C)CC(=O)NCC#N ZINC001570754116 1025736410 /nfs/dbraw/zinc/73/64/10/1025736410.db2.gz XFDHHPHXTZIISD-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001571240195 1025883537 /nfs/dbraw/zinc/88/35/37/1025883537.db2.gz BODKRZRGYMRONK-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001571240195 1025883538 /nfs/dbraw/zinc/88/35/38/1025883538.db2.gz BODKRZRGYMRONK-GJZGRUSLSA-N 2 1 311.426 -0.159 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001571397462 1025931054 /nfs/dbraw/zinc/93/10/54/1025931054.db2.gz ZPQWFBZIAOKOMG-LBPRGKRZSA-N 2 1 307.398 -0.070 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001571699884 1026162149 /nfs/dbraw/zinc/16/21/49/1026162149.db2.gz ILICBSYOIZAEEQ-HNNXBMFYSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001571699884 1026162157 /nfs/dbraw/zinc/16/21/57/1026162157.db2.gz ILICBSYOIZAEEQ-HNNXBMFYSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001571699884 1026162168 /nfs/dbraw/zinc/16/21/68/1026162168.db2.gz ILICBSYOIZAEEQ-HNNXBMFYSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001571699884 1026162179 /nfs/dbraw/zinc/16/21/79/1026162179.db2.gz ILICBSYOIZAEEQ-HNNXBMFYSA-N 2 1 320.437 -0.011 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000490631104 393788530 /nfs/dbraw/zinc/78/85/30/393788530.db2.gz SSPXLKZIBZABQZ-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000491701606 393824534 /nfs/dbraw/zinc/82/45/34/393824534.db2.gz FCPFVAUKAUXFSF-LSDHHAIUSA-N 2 1 318.425 -0.189 20 30 DBEDMP C#CCNC(=O)CC[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000491754960 393828594 /nfs/dbraw/zinc/82/85/94/393828594.db2.gz WVKXHKVZGSUJOO-UHFFFAOYSA-N 2 1 309.410 -0.715 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665899 338110851 /nfs/dbraw/zinc/11/08/51/338110851.db2.gz NOCJEMGFUOHFMS-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP CNC(=O)C[NH+]1CCC(NC(NCc2cccn2C)=[NH+]C)CC1 ZINC000262794107 526414243 /nfs/dbraw/zinc/41/42/43/526414243.db2.gz PCCAMYUHRCPOGW-UHFFFAOYSA-N 2 1 320.441 -0.100 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn(CC[NH+](C)C)n3)[C@@H]2C1 ZINC000978187033 665525221 /nfs/dbraw/zinc/52/52/21/665525221.db2.gz XYRPKDPWEWYORC-QKDCVEJESA-N 2 1 315.421 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001022220393 664239261 /nfs/dbraw/zinc/23/92/61/664239261.db2.gz AZERLXWBQBDRJD-GUTXKFCHSA-N 2 1 316.409 -0.351 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC001022220393 664239265 /nfs/dbraw/zinc/23/92/65/664239265.db2.gz AZERLXWBQBDRJD-GUTXKFCHSA-N 2 1 316.409 -0.351 20 30 DBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086249 664440291 /nfs/dbraw/zinc/44/02/91/664440291.db2.gz GBVFEGKPUNYNPV-XQLPTFJDSA-N 2 1 320.437 -0.038 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000730284132 674967644 /nfs/dbraw/zinc/96/76/44/674967644.db2.gz QCASHJAWLRPYQB-CABCVRRESA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000730284132 674967648 /nfs/dbraw/zinc/96/76/48/674967648.db2.gz QCASHJAWLRPYQB-CABCVRRESA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000730284132 674967651 /nfs/dbraw/zinc/96/76/51/674967651.db2.gz QCASHJAWLRPYQB-CABCVRRESA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000730284132 674967654 /nfs/dbraw/zinc/96/76/54/674967654.db2.gz QCASHJAWLRPYQB-CABCVRRESA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC(=O)NC)CC1 ZINC001028333222 670681846 /nfs/dbraw/zinc/68/18/46/670681846.db2.gz GOEZAYUGXCYECB-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2CC(=O)NC)CC1 ZINC001028333222 670681848 /nfs/dbraw/zinc/68/18/48/670681848.db2.gz GOEZAYUGXCYECB-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@H+]2[C@@H](C)C(N)=O)CC1 ZINC001028333873 670685154 /nfs/dbraw/zinc/68/51/54/670685154.db2.gz RWYITXDRFZCWHW-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCC[N@@H+]2[C@@H](C)C(N)=O)CC1 ZINC001028333873 670685160 /nfs/dbraw/zinc/68/51/60/670685160.db2.gz RWYITXDRFZCWHW-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C[NH+]=C(NCCn1cncn1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261763199 670852800 /nfs/dbraw/zinc/85/28/00/670852800.db2.gz OLNUBICLAVCHCC-CQSZACIVSA-N 2 1 321.429 -0.492 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CC[C@]2(CCOC2)C1 ZINC000261954282 671146970 /nfs/dbraw/zinc/14/69/70/671146970.db2.gz IHWQNPSNTGHXGX-ZBFHGGJFSA-N 2 1 309.458 -0.080 20 30 DBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896487847 671396976 /nfs/dbraw/zinc/39/69/76/671396976.db2.gz FGRRWMMDPZLOFW-CQSZACIVSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896487847 671396984 /nfs/dbraw/zinc/39/69/84/671396984.db2.gz FGRRWMMDPZLOFW-CQSZACIVSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000994756244 677510839 /nfs/dbraw/zinc/51/08/39/677510839.db2.gz WDMPUWXAMGTBEM-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000994756244 677510842 /nfs/dbraw/zinc/51/08/42/677510842.db2.gz WDMPUWXAMGTBEM-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000994756244 677510843 /nfs/dbraw/zinc/51/08/43/677510843.db2.gz WDMPUWXAMGTBEM-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000994756244 677510845 /nfs/dbraw/zinc/51/08/45/677510845.db2.gz WDMPUWXAMGTBEM-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000994756244 677510848 /nfs/dbraw/zinc/51/08/48/677510848.db2.gz WDMPUWXAMGTBEM-HIFRSBDPSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001298558008 805815700 /nfs/dbraw/zinc/81/57/00/805815700.db2.gz WGZNMMZSQNHIQP-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C ZINC001298558008 805815709 /nfs/dbraw/zinc/81/57/09/805815709.db2.gz WGZNMMZSQNHIQP-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001298558008 805815716 /nfs/dbraw/zinc/81/57/16/805815716.db2.gz WGZNMMZSQNHIQP-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001298558008 805815721 /nfs/dbraw/zinc/81/57/21/805815721.db2.gz WGZNMMZSQNHIQP-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001298598436 805819385 /nfs/dbraw/zinc/81/93/85/805819385.db2.gz PLYGKOAMOXCSNQ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001298598436 805819394 /nfs/dbraw/zinc/81/93/94/805819394.db2.gz PLYGKOAMOXCSNQ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001298598436 805819405 /nfs/dbraw/zinc/81/94/05/805819405.db2.gz PLYGKOAMOXCSNQ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001298598436 805819410 /nfs/dbraw/zinc/81/94/10/805819410.db2.gz PLYGKOAMOXCSNQ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001298598435 805819470 /nfs/dbraw/zinc/81/94/70/805819470.db2.gz PLYGKOAMOXCSNQ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C1 ZINC001298598435 805819477 /nfs/dbraw/zinc/81/94/77/805819477.db2.gz PLYGKOAMOXCSNQ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001298598435 805819486 /nfs/dbraw/zinc/81/94/86/805819486.db2.gz PLYGKOAMOXCSNQ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001298598435 805819495 /nfs/dbraw/zinc/81/94/95/805819495.db2.gz PLYGKOAMOXCSNQ-ILXRZTDVSA-N 2 1 320.437 -0.343 20 30 DBEDMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852864365 805983735 /nfs/dbraw/zinc/98/37/35/805983735.db2.gz TYRFJMMJNFNHEH-OAHLLOKOSA-N 2 1 320.437 -0.307 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987833 806061575 /nfs/dbraw/zinc/06/15/75/806061575.db2.gz ZQMAOCKAGMLYGI-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987833 806061583 /nfs/dbraw/zinc/06/15/83/806061583.db2.gz ZQMAOCKAGMLYGI-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011802 806069025 /nfs/dbraw/zinc/06/90/25/806069025.db2.gz LWQIHLJYUIRQFY-HUUCEWRRSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011802 806069034 /nfs/dbraw/zinc/06/90/34/806069034.db2.gz LWQIHLJYUIRQFY-HUUCEWRRSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001317080164 806083685 /nfs/dbraw/zinc/08/36/85/806083685.db2.gz DBETVBBPCXFBAQ-ZQDZILKHSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317080162 806084092 /nfs/dbraw/zinc/08/40/92/806084092.db2.gz DBETVBBPCXFBAQ-TUVASFSCSA-N 2 1 320.437 -0.155 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001317081249 806084527 /nfs/dbraw/zinc/08/45/27/806084527.db2.gz OXRAASLCAZJZLY-JOCQHMNTSA-N 2 1 305.382 -0.269 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317096650 806087526 /nfs/dbraw/zinc/08/75/26/806087526.db2.gz IWUJEMJCTUEKIP-MRVWCRGKSA-N 2 1 317.393 -0.434 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001317113790 806090123 /nfs/dbraw/zinc/09/01/23/806090123.db2.gz RVAQVVSTAISUJQ-XGUBFFRZSA-N 2 1 309.410 -0.672 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001317113790 806090131 /nfs/dbraw/zinc/09/01/31/806090131.db2.gz RVAQVVSTAISUJQ-XGUBFFRZSA-N 2 1 309.410 -0.672 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317124700 806093153 /nfs/dbraw/zinc/09/31/53/806093153.db2.gz VWQRHMYEZUBQBJ-BARDWOONSA-N 2 1 320.437 -0.297 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317145838 806098545 /nfs/dbraw/zinc/09/85/45/806098545.db2.gz FRYGMXMDAGQXOE-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317145838 806098553 /nfs/dbraw/zinc/09/85/53/806098553.db2.gz FRYGMXMDAGQXOE-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317177919 806103827 /nfs/dbraw/zinc/10/38/27/806103827.db2.gz JZJMHNYEZDDISQ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001317177919 806103831 /nfs/dbraw/zinc/10/38/31/806103831.db2.gz JZJMHNYEZDDISQ-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001317254149 806115050 /nfs/dbraw/zinc/11/50/50/806115050.db2.gz HDHXHQIXMVSQFT-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)N(C)C1CC1 ZINC001317254149 806115054 /nfs/dbraw/zinc/11/50/54/806115054.db2.gz HDHXHQIXMVSQFT-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317344254 806137489 /nfs/dbraw/zinc/13/74/89/806137489.db2.gz RBDBKSYHSNNRRX-CQSZACIVSA-N 2 1 319.409 -0.068 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317467774 806159015 /nfs/dbraw/zinc/15/90/15/806159015.db2.gz JQFKNGPYBKFAFZ-ZIAGYGMSSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317467774 806159019 /nfs/dbraw/zinc/15/90/19/806159019.db2.gz JQFKNGPYBKFAFZ-ZIAGYGMSSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001317536806 806181037 /nfs/dbraw/zinc/18/10/37/806181037.db2.gz YMLLDFSHMWFRKW-UONOGXRCSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317536806 806181040 /nfs/dbraw/zinc/18/10/40/806181040.db2.gz YMLLDFSHMWFRKW-UONOGXRCSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317536806 806181043 /nfs/dbraw/zinc/18/10/43/806181043.db2.gz YMLLDFSHMWFRKW-UONOGXRCSA-N 2 1 306.410 -0.874 20 30 DBEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317562314 806186741 /nfs/dbraw/zinc/18/67/41/806186741.db2.gz YFIDMRDGMWSZJD-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001317562314 806186745 /nfs/dbraw/zinc/18/67/45/806186745.db2.gz YFIDMRDGMWSZJD-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001317562314 806186748 /nfs/dbraw/zinc/18/67/48/806186748.db2.gz YFIDMRDGMWSZJD-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001317562314 806186752 /nfs/dbraw/zinc/18/67/52/806186752.db2.gz YFIDMRDGMWSZJD-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001317562313 806186972 /nfs/dbraw/zinc/18/69/72/806186972.db2.gz YFIDMRDGMWSZJD-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001317562313 806186975 /nfs/dbraw/zinc/18/69/75/806186975.db2.gz YFIDMRDGMWSZJD-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001317562313 806186980 /nfs/dbraw/zinc/18/69/80/806186980.db2.gz YFIDMRDGMWSZJD-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001317562313 806186984 /nfs/dbraw/zinc/18/69/84/806186984.db2.gz YFIDMRDGMWSZJD-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001318561230 806312673 /nfs/dbraw/zinc/31/26/73/806312673.db2.gz HBNYPHBJABBMCR-KKUMJFAQSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001319197608 806352598 /nfs/dbraw/zinc/35/25/98/806352598.db2.gz QAACKRMZVBKCKL-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cnnn1C ZINC001319197608 806352606 /nfs/dbraw/zinc/35/26/06/806352606.db2.gz QAACKRMZVBKCKL-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282442 806360111 /nfs/dbraw/zinc/36/01/11/806360111.db2.gz OTFYVDPMAQJTDV-CABCVRRESA-N 2 1 311.426 -0.301 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282442 806360120 /nfs/dbraw/zinc/36/01/20/806360120.db2.gz OTFYVDPMAQJTDV-CABCVRRESA-N 2 1 311.426 -0.301 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282444 806360290 /nfs/dbraw/zinc/36/02/90/806360290.db2.gz OTFYVDPMAQJTDV-HUUCEWRRSA-N 2 1 311.426 -0.301 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319282444 806360300 /nfs/dbraw/zinc/36/03/00/806360300.db2.gz OTFYVDPMAQJTDV-HUUCEWRRSA-N 2 1 311.426 -0.301 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466542 806382992 /nfs/dbraw/zinc/38/29/92/806382992.db2.gz LYSPHGINLDSXOX-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589754 806394029 /nfs/dbraw/zinc/39/40/29/806394029.db2.gz MGNJVTOLTQDPIG-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589754 806394037 /nfs/dbraw/zinc/39/40/37/806394037.db2.gz MGNJVTOLTQDPIG-GJZGRUSLSA-N 2 1 311.426 -0.207 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001321950189 806692074 /nfs/dbraw/zinc/69/20/74/806692074.db2.gz UPNUBQLSFWOPSI-BFHYXJOUSA-N 2 1 308.426 -0.038 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112045 806825426 /nfs/dbraw/zinc/82/54/26/806825426.db2.gz GBTWUFRCYXBFIS-HZPDHXFCSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112045 806825434 /nfs/dbraw/zinc/82/54/34/806825434.db2.gz GBTWUFRCYXBFIS-HZPDHXFCSA-N 2 1 323.437 -0.159 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001324131085 806946053 /nfs/dbraw/zinc/94/60/53/806946053.db2.gz UAXNWICGGGMIPI-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278295 806959259 /nfs/dbraw/zinc/95/92/59/806959259.db2.gz UFDQLYCMQUTMRE-STQMWFEESA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(=O)NCC#N)C1 ZINC001324278291 806959431 /nfs/dbraw/zinc/95/94/31/806959431.db2.gz UFDQLYCMQUTMRE-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277997905 803740233 /nfs/dbraw/zinc/74/02/33/803740233.db2.gz VOZKTAZJOBMOSI-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC#CCOC ZINC001278201403 803767767 /nfs/dbraw/zinc/76/77/67/803767767.db2.gz FZWWXUXTKNFKBK-LSDHHAIUSA-N 2 1 311.426 -0.423 20 30 DBEDMP COCC#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278402473 803788701 /nfs/dbraw/zinc/78/87/01/803788701.db2.gz APJVWQNBTQNKKM-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278418208 803790231 /nfs/dbraw/zinc/79/02/31/803790231.db2.gz ZFYIKAGBGJZCPO-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001278771229 803819595 /nfs/dbraw/zinc/81/95/95/803819595.db2.gz MIOYQVMMXWGMIG-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001278771229 803819604 /nfs/dbraw/zinc/81/96/04/803819604.db2.gz MIOYQVMMXWGMIG-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278771229 803819613 /nfs/dbraw/zinc/81/96/13/803819613.db2.gz MIOYQVMMXWGMIG-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001278771229 803819624 /nfs/dbraw/zinc/81/96/24/803819624.db2.gz MIOYQVMMXWGMIG-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001278771227 803819770 /nfs/dbraw/zinc/81/97/70/803819770.db2.gz MIOYQVMMXWGMIG-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001278771227 803819778 /nfs/dbraw/zinc/81/97/78/803819778.db2.gz MIOYQVMMXWGMIG-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278771227 803819787 /nfs/dbraw/zinc/81/97/87/803819787.db2.gz MIOYQVMMXWGMIG-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001278771227 803819796 /nfs/dbraw/zinc/81/97/96/803819796.db2.gz MIOYQVMMXWGMIG-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)CC[NH+]2CCOCC2)CC1 ZINC001279446369 803887241 /nfs/dbraw/zinc/88/72/41/803887241.db2.gz GQTFASWQLZFYHE-UHFFFAOYSA-N 2 1 322.453 -0.488 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706474 804006756 /nfs/dbraw/zinc/00/67/56/804006756.db2.gz CYFNBTFTTJPLAO-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001280706474 804006771 /nfs/dbraw/zinc/00/67/71/804006771.db2.gz CYFNBTFTTJPLAO-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001280706474 804006780 /nfs/dbraw/zinc/00/67/80/804006780.db2.gz CYFNBTFTTJPLAO-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001280706474 804006789 /nfs/dbraw/zinc/00/67/89/804006789.db2.gz CYFNBTFTTJPLAO-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001280884320 804032369 /nfs/dbraw/zinc/03/23/69/804032369.db2.gz ZFIDLWZIMICGAJ-HUUCEWRRSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001280884320 804032378 /nfs/dbraw/zinc/03/23/78/804032378.db2.gz ZFIDLWZIMICGAJ-HUUCEWRRSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001280884320 804032387 /nfs/dbraw/zinc/03/23/87/804032387.db2.gz ZFIDLWZIMICGAJ-HUUCEWRRSA-N 2 1 322.453 -0.144 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001281991129 804240135 /nfs/dbraw/zinc/24/01/35/804240135.db2.gz RSDPUQMQDZXZMB-WXRRBKDZSA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000773530373 804403071 /nfs/dbraw/zinc/40/30/71/804403071.db2.gz KOZJKFFMCUIVFS-MRXNPFEDSA-N 2 1 304.438 -0.162 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001283983949 804617805 /nfs/dbraw/zinc/61/78/05/804617805.db2.gz AMCBMAGSWWJRAK-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246095 804666592 /nfs/dbraw/zinc/66/65/92/804666592.db2.gz NACDORQXGAOSAV-UONOGXRCSA-N 2 1 323.441 -0.159 20 30 DBEDMP COCC[N@H+]1CC[C@@H](NC(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884213951 807040274 /nfs/dbraw/zinc/04/02/74/807040274.db2.gz QDMVVCQXAIMYHE-IOSBVQAASA-N 2 1 306.410 -0.037 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001325580420 807082588 /nfs/dbraw/zinc/08/25/88/807082588.db2.gz GGAAWOWBRGFNLU-KGLIPLIRSA-N 2 1 323.441 -0.348 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001327188227 807247039 /nfs/dbraw/zinc/24/70/39/807247039.db2.gz IUTJGTKNXIKDNV-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001327188227 807247043 /nfs/dbraw/zinc/24/70/43/807247043.db2.gz IUTJGTKNXIKDNV-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001327188227 807247048 /nfs/dbraw/zinc/24/70/48/807247048.db2.gz IUTJGTKNXIKDNV-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001327958631 807361632 /nfs/dbraw/zinc/36/16/32/807361632.db2.gz MPCJDQFRMVORRB-KBPBESRZSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903778297 807413237 /nfs/dbraw/zinc/41/32/37/807413237.db2.gz LFIGLDZXPBOFLH-GASCZTMLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CCN(C)C(=O)C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903778297 807413240 /nfs/dbraw/zinc/41/32/40/807413240.db2.gz LFIGLDZXPBOFLH-GASCZTMLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001328941206 807491373 /nfs/dbraw/zinc/49/13/73/807491373.db2.gz OPEYQRCXWQNNDH-HSBZDZAISA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001332112737 807872990 /nfs/dbraw/zinc/87/29/90/807872990.db2.gz QWHIQTSOFBQTCC-WMLDXEAASA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001332676818 807965192 /nfs/dbraw/zinc/96/51/92/807965192.db2.gz FHZOEAKLJVVTHI-CABCVRRESA-N 2 1 313.442 -0.108 20 30 DBEDMP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC[NH2+]CC1 ZINC001333636614 808083172 /nfs/dbraw/zinc/08/31/72/808083172.db2.gz VCIWOTYUACAXPW-AWEZNQCLSA-N 2 1 301.394 -0.104 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171501 809793781 /nfs/dbraw/zinc/79/37/81/809793781.db2.gz JREDDMNQPMTYJL-GJZGRUSLSA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCF)C[C@@H]2O)CC1 ZINC000958723896 810012441 /nfs/dbraw/zinc/01/24/41/810012441.db2.gz JZJVQDLCGXQHQM-GJZGRUSLSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CCF)C[C@@H]2O)CC1 ZINC000958723896 810012448 /nfs/dbraw/zinc/01/24/48/810012448.db2.gz JZJVQDLCGXQHQM-GJZGRUSLSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958723910 810013330 /nfs/dbraw/zinc/01/33/30/810013330.db2.gz KJECISJKJPXNJG-SJORKVTESA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963962077 810671794 /nfs/dbraw/zinc/67/17/94/810671794.db2.gz YVPCCMOINDEZKS-XJIRZWNVSA-N 2 1 318.421 -0.414 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC2(C1)CC([NH2+]CC(N)=O)C2 ZINC000963962077 810671803 /nfs/dbraw/zinc/67/18/03/810671803.db2.gz YVPCCMOINDEZKS-XJIRZWNVSA-N 2 1 318.421 -0.414 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000990506580 811670938 /nfs/dbraw/zinc/67/09/38/811670938.db2.gz CSSGAZDSWVREMC-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000990506580 811670943 /nfs/dbraw/zinc/67/09/43/811670943.db2.gz CSSGAZDSWVREMC-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000990506580 811670948 /nfs/dbraw/zinc/67/09/48/811670948.db2.gz CSSGAZDSWVREMC-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC000990506580 811670955 /nfs/dbraw/zinc/67/09/55/811670955.db2.gz CSSGAZDSWVREMC-GJZGRUSLSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018986282 814038748 /nfs/dbraw/zinc/03/87/48/814038748.db2.gz XKHJCLCTLCGAOW-GJZGRUSLSA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)N2CCC2)C1 ZINC001018986282 814038756 /nfs/dbraw/zinc/03/87/56/814038756.db2.gz XKHJCLCTLCGAOW-GJZGRUSLSA-N 2 1 318.421 -0.493 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001018986186 814038853 /nfs/dbraw/zinc/03/88/53/814038853.db2.gz UXDHYBHQNRANKO-IHRRRGAJSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001018986186 814038860 /nfs/dbraw/zinc/03/88/60/814038860.db2.gz UXDHYBHQNRANKO-IHRRRGAJSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001020250313 814335998 /nfs/dbraw/zinc/33/59/98/814335998.db2.gz AZERLXWBQBDRJD-YDHLFZDLSA-N 2 1 316.409 -0.351 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]Cc2cnnn2C)C1 ZINC001020250313 814336005 /nfs/dbraw/zinc/33/60/05/814336005.db2.gz AZERLXWBQBDRJD-YDHLFZDLSA-N 2 1 316.409 -0.351 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034663987 814711331 /nfs/dbraw/zinc/71/13/31/814711331.db2.gz PWLFOYCBJDCJCN-AJNGGQMLSA-N 2 1 320.437 -0.025 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034663987 814711338 /nfs/dbraw/zinc/71/13/38/814711338.db2.gz PWLFOYCBJDCJCN-AJNGGQMLSA-N 2 1 320.437 -0.025 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046850631 816961582 /nfs/dbraw/zinc/96/15/82/816961582.db2.gz YYBBTTUMFZNKBK-CXAGYDPISA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001046850631 816961586 /nfs/dbraw/zinc/96/15/86/816961586.db2.gz YYBBTTUMFZNKBK-CXAGYDPISA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001047638138 817247829 /nfs/dbraw/zinc/24/78/29/817247829.db2.gz CUAORGJKHXWYTE-IRXDYDNUSA-N 2 1 317.433 -0.142 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833446 817454978 /nfs/dbraw/zinc/45/49/78/817454978.db2.gz NYIJJAHPIONJTJ-QXSJWSMHSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833446 817454985 /nfs/dbraw/zinc/45/49/85/817454985.db2.gz NYIJJAHPIONJTJ-QXSJWSMHSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)C[C@H]2C1 ZINC001048833446 817454992 /nfs/dbraw/zinc/45/49/92/817454992.db2.gz NYIJJAHPIONJTJ-QXSJWSMHSA-N 2 1 303.406 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862220 817462660 /nfs/dbraw/zinc/46/26/60/817462660.db2.gz UFSJWTMBPAWQLS-XHSDSOJGSA-N 2 1 315.421 -0.163 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)C[C@H]2C1 ZINC001048862220 817462665 /nfs/dbraw/zinc/46/26/65/817462665.db2.gz UFSJWTMBPAWQLS-XHSDSOJGSA-N 2 1 315.421 -0.163 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2C1 ZINC001048868660 817464892 /nfs/dbraw/zinc/46/48/92/817464892.db2.gz HXOHIYUEQYXICD-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2C1 ZINC001048868660 817464897 /nfs/dbraw/zinc/46/48/97/817464897.db2.gz HXOHIYUEQYXICD-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001048868660 817464901 /nfs/dbraw/zinc/46/49/01/817464901.db2.gz HXOHIYUEQYXICD-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CC(=O)NC)C[C@@H]2C1 ZINC001048868660 817464907 /nfs/dbraw/zinc/46/49/07/817464907.db2.gz HXOHIYUEQYXICD-ZNMIVQPWSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275373 820440050 /nfs/dbraw/zinc/44/00/50/820440050.db2.gz IXUVUUPKUMYBMY-KFWWJZLASA-N 2 1 316.409 -0.405 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418511 822107072 /nfs/dbraw/zinc/10/70/72/822107072.db2.gz SBNQDGIUGYYBLD-VXSWHIBVSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418511 822107076 /nfs/dbraw/zinc/10/70/76/822107076.db2.gz SBNQDGIUGYYBLD-VXSWHIBVSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418511 822107080 /nfs/dbraw/zinc/10/70/80/822107080.db2.gz SBNQDGIUGYYBLD-VXSWHIBVSA-N 2 1 319.405 -0.966 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566511 822153484 /nfs/dbraw/zinc/15/34/84/822153484.db2.gz DMEBWYKQJKEIRW-RBSFLKMASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566511 822153489 /nfs/dbraw/zinc/15/34/89/822153489.db2.gz DMEBWYKQJKEIRW-RBSFLKMASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566511 822153492 /nfs/dbraw/zinc/15/34/92/822153492.db2.gz DMEBWYKQJKEIRW-RBSFLKMASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566511 822153499 /nfs/dbraw/zinc/15/34/99/822153499.db2.gz DMEBWYKQJKEIRW-RBSFLKMASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001114091120 828621362 /nfs/dbraw/zinc/62/13/62/828621362.db2.gz QULOXZLKWCVAHD-LJISPDSOSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001114091120 828621364 /nfs/dbraw/zinc/62/13/64/828621364.db2.gz QULOXZLKWCVAHD-LJISPDSOSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091120 828621367 /nfs/dbraw/zinc/62/13/67/828621367.db2.gz QULOXZLKWCVAHD-LJISPDSOSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001114091120 828621369 /nfs/dbraw/zinc/62/13/69/828621369.db2.gz QULOXZLKWCVAHD-LJISPDSOSA-N 2 1 309.410 -0.434 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959498 824381680 /nfs/dbraw/zinc/38/16/80/824381680.db2.gz KVLKRJLKOLNJLD-QJNCVLDKSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959498 824381684 /nfs/dbraw/zinc/38/16/84/824381684.db2.gz KVLKRJLKOLNJLD-QJNCVLDKSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959498 824381686 /nfs/dbraw/zinc/38/16/86/824381686.db2.gz KVLKRJLKOLNJLD-QJNCVLDKSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959498 824381690 /nfs/dbraw/zinc/38/16/90/824381690.db2.gz KVLKRJLKOLNJLD-QJNCVLDKSA-N 2 1 321.421 -0.149 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@H]2OC)CC1 ZINC001082383250 824434051 /nfs/dbraw/zinc/43/40/51/824434051.db2.gz OEWZUAXDHVAXFN-HUUCEWRRSA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@@H+](CCO)C[C@@H]32)CC1 ZINC001083283794 824529041 /nfs/dbraw/zinc/52/90/41/824529041.db2.gz UIBWLWGGAYYYEV-JKSUJKDBSA-N 2 1 321.421 -0.765 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[N@H+](CCO)C[C@@H]32)CC1 ZINC001083283794 824529044 /nfs/dbraw/zinc/52/90/44/824529044.db2.gz UIBWLWGGAYYYEV-JKSUJKDBSA-N 2 1 321.421 -0.765 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723302 824746539 /nfs/dbraw/zinc/74/65/39/824746539.db2.gz DMEBWYKQJKEIRW-QLFBSQMISA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723302 824746546 /nfs/dbraw/zinc/74/65/46/824746546.db2.gz DMEBWYKQJKEIRW-QLFBSQMISA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723302 824746552 /nfs/dbraw/zinc/74/65/52/824746552.db2.gz DMEBWYKQJKEIRW-QLFBSQMISA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723302 824746560 /nfs/dbraw/zinc/74/65/60/824746560.db2.gz DMEBWYKQJKEIRW-QLFBSQMISA-N 2 1 311.426 -0.167 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCOCCO)C[C@H]21 ZINC001114420627 828691066 /nfs/dbraw/zinc/69/10/66/828691066.db2.gz IKEIATBAMNHZMA-XUWVNRHRSA-N 2 1 321.421 -0.861 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCOCCO)C[C@H]21 ZINC001114420627 828691068 /nfs/dbraw/zinc/69/10/68/828691068.db2.gz IKEIATBAMNHZMA-XUWVNRHRSA-N 2 1 321.421 -0.861 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114420627 828691071 /nfs/dbraw/zinc/69/10/71/828691071.db2.gz IKEIATBAMNHZMA-XUWVNRHRSA-N 2 1 321.421 -0.861 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCOCCO)C[C@H]21 ZINC001114420627 828691073 /nfs/dbraw/zinc/69/10/73/828691073.db2.gz IKEIATBAMNHZMA-XUWVNRHRSA-N 2 1 321.421 -0.861 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723301 824746865 /nfs/dbraw/zinc/74/68/65/824746865.db2.gz DMEBWYKQJKEIRW-ILXRZTDVSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723301 824746870 /nfs/dbraw/zinc/74/68/70/824746870.db2.gz DMEBWYKQJKEIRW-ILXRZTDVSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723301 824746875 /nfs/dbraw/zinc/74/68/75/824746875.db2.gz DMEBWYKQJKEIRW-ILXRZTDVSA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001083723301 824746880 /nfs/dbraw/zinc/74/68/80/824746880.db2.gz DMEBWYKQJKEIRW-ILXRZTDVSA-N 2 1 311.426 -0.167 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463758 828697813 /nfs/dbraw/zinc/69/78/13/828697813.db2.gz LKNYTOJYOTZHLZ-COMQUAJESA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114463758 828697817 /nfs/dbraw/zinc/69/78/17/828697817.db2.gz LKNYTOJYOTZHLZ-COMQUAJESA-N 2 1 306.410 -0.878 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H](C)COC)C[C@@H]2O)CC1 ZINC001084088104 824887295 /nfs/dbraw/zinc/88/72/95/824887295.db2.gz PWPKHZUHBGKOMS-IMJJTQAJSA-N 2 1 323.437 -0.472 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@@H]1C ZINC001114832414 828748626 /nfs/dbraw/zinc/74/86/26/828748626.db2.gz QZVDPUFZIABSBA-SZOQZIPDSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@@H]1C ZINC001114832414 828748630 /nfs/dbraw/zinc/74/86/30/828748630.db2.gz QZVDPUFZIABSBA-SZOQZIPDSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832414 828748635 /nfs/dbraw/zinc/74/86/35/828748635.db2.gz QZVDPUFZIABSBA-SZOQZIPDSA-N 2 1 320.437 -0.181 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@@H]1C ZINC001114832414 828748639 /nfs/dbraw/zinc/74/86/39/828748639.db2.gz QZVDPUFZIABSBA-SZOQZIPDSA-N 2 1 320.437 -0.181 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086390180 825247891 /nfs/dbraw/zinc/24/78/91/825247891.db2.gz FVCFPACAVPKXNW-TUVASFSCSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001086390180 825247899 /nfs/dbraw/zinc/24/78/99/825247899.db2.gz FVCFPACAVPKXNW-TUVASFSCSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088329288 825414703 /nfs/dbraw/zinc/41/47/03/825414703.db2.gz RZLFSEULMYNSNL-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC(N)=O)C1 ZINC001088329288 825414706 /nfs/dbraw/zinc/41/47/06/825414706.db2.gz RZLFSEULMYNSNL-GJZGRUSLSA-N 2 1 320.437 -0.070 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115119416 828789409 /nfs/dbraw/zinc/78/94/09/828789409.db2.gz WXOAFSBFJGDDPY-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115119416 828789412 /nfs/dbraw/zinc/78/94/12/828789412.db2.gz WXOAFSBFJGDDPY-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119416 828789416 /nfs/dbraw/zinc/78/94/16/828789416.db2.gz WXOAFSBFJGDDPY-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115119416 828789422 /nfs/dbraw/zinc/78/94/22/828789422.db2.gz WXOAFSBFJGDDPY-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001115128405 828790240 /nfs/dbraw/zinc/79/02/40/828790240.db2.gz LFFTYSGVDOZSCT-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001115128405 828790243 /nfs/dbraw/zinc/79/02/43/828790243.db2.gz LFFTYSGVDOZSCT-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115128405 828790246 /nfs/dbraw/zinc/79/02/46/828790246.db2.gz LFFTYSGVDOZSCT-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001115128405 828790251 /nfs/dbraw/zinc/79/02/51/828790251.db2.gz LFFTYSGVDOZSCT-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127988 828790277 /nfs/dbraw/zinc/79/02/77/828790277.db2.gz CPRYMXYXKUSVSA-BCUIYNNISA-N 2 1 319.409 -0.986 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127988 828790280 /nfs/dbraw/zinc/79/02/80/828790280.db2.gz CPRYMXYXKUSVSA-BCUIYNNISA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127988 828790281 /nfs/dbraw/zinc/79/02/81/828790281.db2.gz CPRYMXYXKUSVSA-BCUIYNNISA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127988 828790284 /nfs/dbraw/zinc/79/02/84/828790284.db2.gz CPRYMXYXKUSVSA-BCUIYNNISA-N 2 1 319.409 -0.986 20 30 DBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C12CC[NH+](CC1)C2 ZINC001115123261 828790400 /nfs/dbraw/zinc/79/04/00/828790400.db2.gz MOKHEDOTRXCJHK-FICVDOATSA-N 2 1 303.406 -0.222 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161906 828795943 /nfs/dbraw/zinc/79/59/43/828795943.db2.gz PBDUFIBMHJOFOU-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161906 828795947 /nfs/dbraw/zinc/79/59/47/828795947.db2.gz PBDUFIBMHJOFOU-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161906 828795950 /nfs/dbraw/zinc/79/59/50/828795950.db2.gz PBDUFIBMHJOFOU-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115300749 828825538 /nfs/dbraw/zinc/82/55/38/828825538.db2.gz YUYYUNGFKZDWRP-TTZDDIAXSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300749 828825544 /nfs/dbraw/zinc/82/55/44/828825544.db2.gz YUYYUNGFKZDWRP-TTZDDIAXSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300749 828825554 /nfs/dbraw/zinc/82/55/54/828825554.db2.gz YUYYUNGFKZDWRP-TTZDDIAXSA-N 2 1 320.437 -0.489 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)C(C)C ZINC001115301872 828826013 /nfs/dbraw/zinc/82/60/13/828826013.db2.gz JETLYVCKNWMXQR-VIKVFOODSA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115301872 828826022 /nfs/dbraw/zinc/82/60/22/828826022.db2.gz JETLYVCKNWMXQR-VIKVFOODSA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115301872 828826030 /nfs/dbraw/zinc/82/60/30/828826030.db2.gz JETLYVCKNWMXQR-VIKVFOODSA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115301872 828826036 /nfs/dbraw/zinc/82/60/36/828826036.db2.gz JETLYVCKNWMXQR-VIKVFOODSA-N 2 1 308.426 -0.325 20 30 DBEDMP C#CCC[N@H+]1CC[C@H](NC(=O)C2CC[NH+](CC#C)CC2)[C@@H](O)C1 ZINC001090830222 825862816 /nfs/dbraw/zinc/86/28/16/825862816.db2.gz JOSOAJCGZITINQ-IRXDYDNUSA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274096934 833030324 /nfs/dbraw/zinc/03/03/24/833030324.db2.gz LOAXTIBAXKDNER-AWFCHZOYSA-N 2 1 303.406 -0.004 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC#CCOC ZINC001274096934 833030329 /nfs/dbraw/zinc/03/03/29/833030329.db2.gz LOAXTIBAXKDNER-AWFCHZOYSA-N 2 1 303.406 -0.004 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2=O)C1 ZINC001094815213 826293919 /nfs/dbraw/zinc/29/39/19/826293919.db2.gz OHYNEUDPMSTUEU-UONOGXRCSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2=O)C1 ZINC001094815213 826293923 /nfs/dbraw/zinc/29/39/23/826293923.db2.gz OHYNEUDPMSTUEU-UONOGXRCSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001161644104 833044055 /nfs/dbraw/zinc/04/40/55/833044055.db2.gz HZKMPRGQSVOVEV-HNNXBMFYSA-N 2 1 322.453 -0.048 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001274299071 833058139 /nfs/dbraw/zinc/05/81/39/833058139.db2.gz SGAACCMTDGXYGT-QWHCGFSZSA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001274529042 833090418 /nfs/dbraw/zinc/09/04/18/833090418.db2.gz SNWPPJMPCXSXMQ-HNNXBMFYSA-N 2 1 303.406 -0.340 20 30 DBEDMP C#CC[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001274529042 833090424 /nfs/dbraw/zinc/09/04/24/833090424.db2.gz SNWPPJMPCXSXMQ-HNNXBMFYSA-N 2 1 303.406 -0.340 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274553781 833095931 /nfs/dbraw/zinc/09/59/31/833095931.db2.gz ALPWKWUTOYRQQI-BZUAXINKSA-N 2 1 323.437 -0.376 20 30 DBEDMP C=CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037112 826787482 /nfs/dbraw/zinc/78/74/82/826787482.db2.gz UEZFRXZVRLFJLQ-CABCVRRESA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037112 826787484 /nfs/dbraw/zinc/78/74/84/826787484.db2.gz UEZFRXZVRLFJLQ-CABCVRRESA-N 2 1 311.426 -0.164 20 30 DBEDMP CC#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100050061 826797431 /nfs/dbraw/zinc/79/74/31/826797431.db2.gz BLHDFVNABZSLRQ-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110406 826858929 /nfs/dbraw/zinc/85/89/29/826858929.db2.gz VIMAOGQLAIGPHK-HUUCEWRRSA-N 2 1 322.409 -0.054 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@@H](NC(=O)Cn2cc[nH+]c2C)[C@H](O)C1 ZINC001100110406 826858937 /nfs/dbraw/zinc/85/89/37/826858937.db2.gz VIMAOGQLAIGPHK-HUUCEWRRSA-N 2 1 322.409 -0.054 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001100447252 826967058 /nfs/dbraw/zinc/96/70/58/826967058.db2.gz UREXBRUIRKGKMM-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001100980905 827056946 /nfs/dbraw/zinc/05/69/46/827056946.db2.gz LUDDJJCGDLHNHL-ROKHWSDSSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001274984468 833144482 /nfs/dbraw/zinc/14/44/82/833144482.db2.gz FTVKBJZUADIJMP-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001275185508 833156541 /nfs/dbraw/zinc/15/65/41/833156541.db2.gz WJTOEMUZVFPSNH-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001275185508 833156545 /nfs/dbraw/zinc/15/65/45/833156545.db2.gz WJTOEMUZVFPSNH-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102314473 827198474 /nfs/dbraw/zinc/19/84/74/827198474.db2.gz KLEULEHWQPYGCR-ZIAGYGMSSA-N 2 1 310.442 -0.076 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578276 827227781 /nfs/dbraw/zinc/22/77/81/827227781.db2.gz TXWYYRMYFCGXRU-QLFBSQMISA-N 2 1 322.453 -0.076 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578276 827227788 /nfs/dbraw/zinc/22/77/88/827227788.db2.gz TXWYYRMYFCGXRU-QLFBSQMISA-N 2 1 322.453 -0.076 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578276 827227796 /nfs/dbraw/zinc/22/77/96/827227796.db2.gz TXWYYRMYFCGXRU-QLFBSQMISA-N 2 1 322.453 -0.076 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)N(C)CC(=O)NCC#N ZINC001275836237 833213104 /nfs/dbraw/zinc/21/31/04/833213104.db2.gz SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CC(=O)NCC#N ZINC001275836237 833213110 /nfs/dbraw/zinc/21/31/10/833213110.db2.gz SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH+](C)CC(=O)NCC#N ZINC001275836237 833213115 /nfs/dbraw/zinc/21/31/15/833213115.db2.gz SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@H+](C)CC(=O)NCC#N ZINC001275836237 833213122 /nfs/dbraw/zinc/21/31/22/833213122.db2.gz SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[N@@H+](C)CC(=O)NCC#N ZINC001275836237 833213128 /nfs/dbraw/zinc/21/31/28/833213128.db2.gz SNGLOGVWDPSJHJ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941629 827565887 /nfs/dbraw/zinc/56/58/87/827565887.db2.gz FMOUKVSZXSIYAU-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001276052800 833239692 /nfs/dbraw/zinc/23/96/92/833239692.db2.gz MXGWCLHCINMJQO-HNNXBMFYSA-N 2 1 318.421 -0.729 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001276052800 833239698 /nfs/dbraw/zinc/23/96/98/833239698.db2.gz MXGWCLHCINMJQO-HNNXBMFYSA-N 2 1 318.421 -0.729 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001165545853 833251711 /nfs/dbraw/zinc/25/17/11/833251711.db2.gz RVPOQSCNEOTDCX-KGLIPLIRSA-N 2 1 320.437 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@H](C)C(N)=O)CC1 ZINC001165545853 833251714 /nfs/dbraw/zinc/25/17/14/833251714.db2.gz RVPOQSCNEOTDCX-KGLIPLIRSA-N 2 1 320.437 -0.166 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001165546029 833251722 /nfs/dbraw/zinc/25/17/22/833251722.db2.gz WAOKFXVMFAEPBC-AWEZNQCLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NC)CC1 ZINC001165546029 833251725 /nfs/dbraw/zinc/25/17/25/833251725.db2.gz WAOKFXVMFAEPBC-AWEZNQCLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@@H]1C ZINC001166626876 833276576 /nfs/dbraw/zinc/27/65/76/833276576.db2.gz LIZCLIXSORBKEW-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC1(C)CC[N@@H+](CC(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001166758068 833280693 /nfs/dbraw/zinc/28/06/93/833280693.db2.gz BSJCKZZFJOAUKZ-UHFFFAOYSA-N 2 1 309.414 -0.546 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CC[N@H+](C)CC)CC1 ZINC001167640029 833305558 /nfs/dbraw/zinc/30/55/58/833305558.db2.gz KPEJPRYMCWELOY-UHFFFAOYSA-N 2 1 322.453 -0.046 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)C[N@H+](C)CCC)CC1 ZINC001167814667 833311373 /nfs/dbraw/zinc/31/13/73/833311373.db2.gz BBABZTMDUHQWHQ-UHFFFAOYSA-N 2 1 322.453 -0.046 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168023046 833316079 /nfs/dbraw/zinc/31/60/79/833316079.db2.gz SUODBFACIOXZBK-ZIAGYGMSSA-N 2 1 321.425 -0.261 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111861441 828319072 /nfs/dbraw/zinc/31/90/72/828319072.db2.gz NJLQEDFHQVOGJH-BBRMVZONSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111861441 828319078 /nfs/dbraw/zinc/31/90/78/828319078.db2.gz NJLQEDFHQVOGJH-BBRMVZONSA-N 2 1 321.425 -0.451 20 30 DBEDMP Cc1[nH+]ccn1CCCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001168368497 833323563 /nfs/dbraw/zinc/32/35/63/833323563.db2.gz AQIZMZLLSPAJKG-UHFFFAOYSA-N 2 1 320.397 -0.293 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1C ZINC001176146531 833401245 /nfs/dbraw/zinc/40/12/45/833401245.db2.gz CGPJABKQEYUPNF-LBPRGKRZSA-N 2 1 307.398 -0.022 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563951 833408715 /nfs/dbraw/zinc/40/87/15/833408715.db2.gz IMIPBZWQQUQPCZ-HUUCEWRRSA-N 2 1 322.453 -0.048 20 30 DBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563943 833408985 /nfs/dbraw/zinc/40/89/85/833408985.db2.gz IJOVFDRBBSTLLT-KBPBESRZSA-N 2 1 323.441 -0.158 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001176637186 833413651 /nfs/dbraw/zinc/41/36/51/833413651.db2.gz ZDXVQELIWHEPQI-CYBMUJFWSA-N 2 1 312.414 -0.895 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001176637186 833413660 /nfs/dbraw/zinc/41/36/60/833413660.db2.gz ZDXVQELIWHEPQI-CYBMUJFWSA-N 2 1 312.414 -0.895 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328398 830172192 /nfs/dbraw/zinc/17/21/92/830172192.db2.gz PDIGAKAPTYFOJY-HUUCEWRRSA-N 2 1 322.453 -0.192 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384921 830176865 /nfs/dbraw/zinc/17/68/65/830176865.db2.gz BUTZBZWLINYQQC-KGLIPLIRSA-N 2 1 322.413 -0.616 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129384921 830176868 /nfs/dbraw/zinc/17/68/68/830176868.db2.gz BUTZBZWLINYQQC-KGLIPLIRSA-N 2 1 322.413 -0.616 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001129410946 830179422 /nfs/dbraw/zinc/17/94/22/830179422.db2.gz RVVYLGCDWWLJRL-ZDUSSCGKSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129418250 830179873 /nfs/dbraw/zinc/17/98/73/830179873.db2.gz SXDQDFLNPSSNCE-GFCCVEGCSA-N 2 1 303.366 -0.784 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@@H]1CCC[N@@H+]1C(C)C ZINC001129418964 830180245 /nfs/dbraw/zinc/18/02/45/830180245.db2.gz YZFVRWISISJGOV-AWEZNQCLSA-N 2 1 308.426 -0.296 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC001129429933 830181170 /nfs/dbraw/zinc/18/11/70/830181170.db2.gz NBMANZSYBKSDQH-CQSZACIVSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001129770156 830207915 /nfs/dbraw/zinc/20/79/15/830207915.db2.gz CGNGJRLMSVGPNK-KBPBESRZSA-N 2 1 316.409 -0.431 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H]1CCc2ncnn21 ZINC001129770156 830207921 /nfs/dbraw/zinc/20/79/21/830207921.db2.gz CGNGJRLMSVGPNK-KBPBESRZSA-N 2 1 316.409 -0.431 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001129775311 830210197 /nfs/dbraw/zinc/21/01/97/830210197.db2.gz LZLQQWXWIBVKTJ-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCCCC1 ZINC001129775311 830210203 /nfs/dbraw/zinc/21/02/03/830210203.db2.gz LZLQQWXWIBVKTJ-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001129790659 830211341 /nfs/dbraw/zinc/21/13/41/830211341.db2.gz FYMAKECNNVYVEO-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NCC(C)C ZINC001129790659 830211347 /nfs/dbraw/zinc/21/13/47/830211347.db2.gz FYMAKECNNVYVEO-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001129790558 830211377 /nfs/dbraw/zinc/21/13/77/830211377.db2.gz ASMZGTCUGSZPTQ-CABCVRRESA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC001129790558 830211383 /nfs/dbraw/zinc/21/13/83/830211383.db2.gz ASMZGTCUGSZPTQ-CABCVRRESA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187506 830277206 /nfs/dbraw/zinc/27/72/06/830277206.db2.gz WTNUAYVTHBTBMR-ZIAGYGMSSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001130187503 830278487 /nfs/dbraw/zinc/27/84/87/830278487.db2.gz WTNUAYVTHBTBMR-KBPBESRZSA-N 2 1 306.410 -0.542 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130192660 830279870 /nfs/dbraw/zinc/27/98/70/830279870.db2.gz QMBJMMOHRMXVSP-OLZOCXBDSA-N 2 1 307.398 -0.651 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708666 830368076 /nfs/dbraw/zinc/36/80/76/830368076.db2.gz CVQHXAYEENJYPY-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708664 830368359 /nfs/dbraw/zinc/36/83/59/830368359.db2.gz CVQHXAYEENJYPY-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C=CCOCC[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519966 830478962 /nfs/dbraw/zinc/47/89/62/830478962.db2.gz PFGVTJQNXOSGKC-BBBYJDLNSA-N 2 1 309.410 -0.242 20 30 DBEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692781 830509825 /nfs/dbraw/zinc/50/98/25/830509825.db2.gz KQYZZPNSDLSMQA-NVXWUHKLSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272949 830619118 /nfs/dbraw/zinc/61/91/18/830619118.db2.gz CJNIGUYBPUCNMD-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272949 830619123 /nfs/dbraw/zinc/61/91/23/830619123.db2.gz CJNIGUYBPUCNMD-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272946 830619198 /nfs/dbraw/zinc/61/91/98/830619198.db2.gz CJNIGUYBPUCNMD-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@@H]1C ZINC001132272946 830619202 /nfs/dbraw/zinc/61/92/02/830619202.db2.gz CJNIGUYBPUCNMD-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@@H]2C)C1=O ZINC001133824039 830831710 /nfs/dbraw/zinc/83/17/10/830831710.db2.gz WJWXKCVNWSKRML-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001133853603 830840116 /nfs/dbraw/zinc/84/01/16/830840116.db2.gz LUENQOVBRTVPFP-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC(C)c1[nH+]ccn1CC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134569986 830950896 /nfs/dbraw/zinc/95/08/96/830950896.db2.gz DEBBDXRBBMKFGA-UHFFFAOYSA-N 2 1 306.370 -0.648 20 30 DBEDMP C[C@H](C[C@@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607987 830954468 /nfs/dbraw/zinc/95/44/68/830954468.db2.gz OYJUNFAUAVPDMF-CHWSQXEVSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001134763463 830975813 /nfs/dbraw/zinc/97/58/13/830975813.db2.gz ZPKGCARNCFCFDQ-CQSZACIVSA-N 2 1 308.426 -0.296 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093143 831009463 /nfs/dbraw/zinc/00/94/63/831009463.db2.gz ITYIUGGQCGIYBG-STQMWFEESA-N 2 1 307.398 -0.651 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647038 833725939 /nfs/dbraw/zinc/72/59/39/833725939.db2.gz BRBNRXUIUGPBTG-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135975809 831143720 /nfs/dbraw/zinc/14/37/20/831143720.db2.gz COQDAEXVUTUQLR-STQMWFEESA-N 2 1 311.430 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976942 831143974 /nfs/dbraw/zinc/14/39/74/831143974.db2.gz OLPLJALQKQHHLP-KBPBESRZSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)C[N@H+](C)CCC ZINC001135976943 831144190 /nfs/dbraw/zinc/14/41/90/831144190.db2.gz OLPLJALQKQHHLP-KGLIPLIRSA-N 2 1 310.442 -0.050 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147212151 831349083 /nfs/dbraw/zinc/34/90/83/831349083.db2.gz OPKUTLPCCCDQSM-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212151 831349088 /nfs/dbraw/zinc/34/90/88/831349088.db2.gz OPKUTLPCCCDQSM-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212151 831349095 /nfs/dbraw/zinc/34/90/95/831349095.db2.gz OPKUTLPCCCDQSM-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212151 831349101 /nfs/dbraw/zinc/34/91/01/831349101.db2.gz OPKUTLPCCCDQSM-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754512 831472723 /nfs/dbraw/zinc/47/27/23/831472723.db2.gz AMEOMJYVXHAPKH-UHFFFAOYSA-N 2 1 320.437 -0.081 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001148754512 831472727 /nfs/dbraw/zinc/47/27/27/831472727.db2.gz AMEOMJYVXHAPKH-UHFFFAOYSA-N 2 1 320.437 -0.081 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240298 831601049 /nfs/dbraw/zinc/60/10/49/831601049.db2.gz DZVFSMDPKFCGGE-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240298 831601046 /nfs/dbraw/zinc/60/10/46/831601046.db2.gz DZVFSMDPKFCGGE-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587431 831630920 /nfs/dbraw/zinc/63/09/20/831630920.db2.gz HODLOHFXLKILOE-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151756384 831708404 /nfs/dbraw/zinc/70/84/04/831708404.db2.gz LBDVIZHDQHRLIA-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151756384 831708410 /nfs/dbraw/zinc/70/84/10/831708410.db2.gz LBDVIZHDQHRLIA-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001152324460 831741027 /nfs/dbraw/zinc/74/10/27/831741027.db2.gz WBJRJTBFNOAFSK-GFCCVEGCSA-N 2 1 319.413 -0.678 20 30 DBEDMP CC[N@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620449 831767390 /nfs/dbraw/zinc/76/73/90/831767390.db2.gz MVBOSMIEZNSMKC-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@@H+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[NH+](C)CCO1 ZINC001152620449 831767394 /nfs/dbraw/zinc/76/73/94/831767394.db2.gz MVBOSMIEZNSMKC-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001152620449 831767400 /nfs/dbraw/zinc/76/74/00/831767400.db2.gz MVBOSMIEZNSMKC-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+](CC#CCOC)[C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001152620449 831767405 /nfs/dbraw/zinc/76/74/05/831767405.db2.gz MVBOSMIEZNSMKC-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N)[NH+](C)C ZINC001155289438 831926460 /nfs/dbraw/zinc/92/64/60/831926460.db2.gz SLWOVYGVILRIKZ-OLZOCXBDSA-N 2 1 311.430 -0.207 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N)[NH+](C)C ZINC001155289438 831926464 /nfs/dbraw/zinc/92/64/64/831926464.db2.gz SLWOVYGVILRIKZ-OLZOCXBDSA-N 2 1 311.430 -0.207 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156125090 831969911 /nfs/dbraw/zinc/96/99/11/831969911.db2.gz HKHQBNPUYFOBLA-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156125090 831969915 /nfs/dbraw/zinc/96/99/15/831969915.db2.gz HKHQBNPUYFOBLA-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374533 831981994 /nfs/dbraw/zinc/98/19/94/831981994.db2.gz RIGZWVASAHJMTI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374533 831981998 /nfs/dbraw/zinc/98/19/98/831981998.db2.gz RIGZWVASAHJMTI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374533 831982002 /nfs/dbraw/zinc/98/20/02/831982002.db2.gz RIGZWVASAHJMTI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374533 831982006 /nfs/dbraw/zinc/98/20/06/831982006.db2.gz RIGZWVASAHJMTI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156883723 832007558 /nfs/dbraw/zinc/00/75/58/832007558.db2.gz VRCDPYYEWKKZJV-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001156883723 832007562 /nfs/dbraw/zinc/00/75/62/832007562.db2.gz VRCDPYYEWKKZJV-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001156883723 832007566 /nfs/dbraw/zinc/00/75/66/832007566.db2.gz VRCDPYYEWKKZJV-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001156883723 832007570 /nfs/dbraw/zinc/00/75/70/832007570.db2.gz VRCDPYYEWKKZJV-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001269136126 832147597 /nfs/dbraw/zinc/14/75/97/832147597.db2.gz UXEHOCOAKQILDD-ZFWWWQNUSA-N 2 1 320.437 -0.438 20 30 DBEDMP CC1(C)CC[N@@H+](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185676446 833805760 /nfs/dbraw/zinc/80/57/60/833805760.db2.gz XRIMCJPHYYPFDV-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001185724300 833808419 /nfs/dbraw/zinc/80/84/19/833808419.db2.gz XXEYDMYRLOAAJX-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269451230 832435662 /nfs/dbraw/zinc/43/56/62/832435662.db2.gz MRXQYMODWFUJBZ-UHFFFAOYSA-N 2 1 304.354 -0.930 20 30 DBEDMP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)C(=O)NC)CC1 ZINC001270339003 832524111 /nfs/dbraw/zinc/52/41/11/832524111.db2.gz YWZXFQOGCCCWKH-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC(=O)NC)CC1 ZINC001270363890 832525735 /nfs/dbraw/zinc/52/57/35/832525735.db2.gz KFBXEDUVPZVOLV-UHFFFAOYSA-N 2 1 320.437 -0.246 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CCCC1 ZINC001270729000 832570814 /nfs/dbraw/zinc/57/08/14/832570814.db2.gz ZQVMQSSFMDKFSM-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CCCC1 ZINC001270729000 832570817 /nfs/dbraw/zinc/57/08/17/832570817.db2.gz ZQVMQSSFMDKFSM-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271145294 832628404 /nfs/dbraw/zinc/62/84/04/832628404.db2.gz LOXGRPVGVXTQOD-NVXWUHKLSA-N 2 1 305.422 -0.096 20 30 DBEDMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001271901166 832714647 /nfs/dbraw/zinc/71/46/47/832714647.db2.gz MHXSHHZJYMOPMO-ZIAGYGMSSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CC[NH2+]C1CCN(CCNC(=O)Cn2c[nH+]cc2C)CC1 ZINC001271918364 832715598 /nfs/dbraw/zinc/71/55/98/832715598.db2.gz HBAMCAQVKLVZFX-UHFFFAOYSA-N 2 1 303.410 -0.005 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159327382 832805451 /nfs/dbraw/zinc/80/54/51/832805451.db2.gz IEUYOXZGHPYJJS-CYBMUJFWSA-N 2 1 309.414 -0.404 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159901430 832856304 /nfs/dbraw/zinc/85/63/04/832856304.db2.gz HIICFQUOWDDCRO-AWEZNQCLSA-N 2 1 323.441 -0.015 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001159924538 832859886 /nfs/dbraw/zinc/85/98/86/832859886.db2.gz LFSTTYSZIKMLGG-GFCCVEGCSA-N 2 1 318.381 -0.504 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001160209160 832882546 /nfs/dbraw/zinc/88/25/46/832882546.db2.gz AYWMKFKMJQFUGQ-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCCC1=O ZINC001160209160 832882557 /nfs/dbraw/zinc/88/25/57/832882557.db2.gz AYWMKFKMJQFUGQ-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001160192061 832883446 /nfs/dbraw/zinc/88/34/46/832883446.db2.gz XFTKAYTZJKHKEO-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCC1 ZINC001160192061 832883458 /nfs/dbraw/zinc/88/34/58/832883458.db2.gz XFTKAYTZJKHKEO-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)N1CCN(C)CC1 ZINC001273836658 832970960 /nfs/dbraw/zinc/97/09/60/832970960.db2.gz SVWVFTYYIXCYDZ-HUUCEWRRSA-N 2 1 318.421 -0.541 20 30 DBEDMP C#CCN1C(=O)CC[C@@H]2[C@H]1CCN2CC(=O)N1CCN(C)CC1 ZINC001273836658 832970965 /nfs/dbraw/zinc/97/09/65/832970965.db2.gz SVWVFTYYIXCYDZ-HUUCEWRRSA-N 2 1 318.421 -0.541 20 30 DBEDMP COCC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001276650559 833447716 /nfs/dbraw/zinc/44/77/16/833447716.db2.gz IXUIMAAUOJPOMD-JONQDZQNSA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+](C)CCO3)[C@@H]2C1 ZINC001276650559 833447717 /nfs/dbraw/zinc/44/77/17/833447717.db2.gz IXUIMAAUOJPOMD-JONQDZQNSA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+](C)CCO3)[C@@H]2C1 ZINC001276650559 833447718 /nfs/dbraw/zinc/44/77/18/833447718.db2.gz IXUIMAAUOJPOMD-JONQDZQNSA-N 2 1 321.421 -0.739 20 30 DBEDMP COCC#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+](C)CCO3)[C@@H]2C1 ZINC001276650559 833447719 /nfs/dbraw/zinc/44/77/19/833447719.db2.gz IXUIMAAUOJPOMD-JONQDZQNSA-N 2 1 321.421 -0.739 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)[C@H]1C ZINC001178731149 833522199 /nfs/dbraw/zinc/52/21/99/833522199.db2.gz MNPRYTYALWWCOJ-BARDWOONSA-N 2 1 320.437 -0.345 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001179539143 833549772 /nfs/dbraw/zinc/54/97/72/833549772.db2.gz PNGJMYRXDWRQPR-RDBSUJKOSA-N 2 1 321.425 -0.453 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001180136274 833570328 /nfs/dbraw/zinc/57/03/28/833570328.db2.gz VJYMCNDITBZSCM-AAEUAGOBSA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288778 833712087 /nfs/dbraw/zinc/71/20/87/833712087.db2.gz ODXAPPYTPIOZQY-ZIAGYGMSSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001187106286 833903003 /nfs/dbraw/zinc/90/30/03/833903003.db2.gz DOKUKVZABBONFZ-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001277216522 833934544 /nfs/dbraw/zinc/93/45/44/833934544.db2.gz DLYLSMNWSQDPLP-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062287 834041718 /nfs/dbraw/zinc/04/17/18/834041718.db2.gz QKZIIMMUVGIABF-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189062287 834041726 /nfs/dbraw/zinc/04/17/26/834041726.db2.gz QKZIIMMUVGIABF-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389915 834073496 /nfs/dbraw/zinc/07/34/96/834073496.db2.gz MERAOLSZEHROBD-CHWSQXEVSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389915 834073505 /nfs/dbraw/zinc/07/35/05/834073505.db2.gz MERAOLSZEHROBD-CHWSQXEVSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389915 834073513 /nfs/dbraw/zinc/07/35/13/834073513.db2.gz MERAOLSZEHROBD-CHWSQXEVSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389915 834073522 /nfs/dbraw/zinc/07/35/22/834073522.db2.gz MERAOLSZEHROBD-CHWSQXEVSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001190645703 834176793 /nfs/dbraw/zinc/17/67/93/834176793.db2.gz UZECFKCZEARRRS-ZDUSSCGKSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)C1(C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CCC1 ZINC001190645703 834176796 /nfs/dbraw/zinc/17/67/96/834176796.db2.gz UZECFKCZEARRRS-ZDUSSCGKSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655143 834177258 /nfs/dbraw/zinc/17/72/58/834177258.db2.gz NTRNRHFECTUTHW-DZGCQCFKSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655143 834177265 /nfs/dbraw/zinc/17/72/65/834177265.db2.gz NTRNRHFECTUTHW-DZGCQCFKSA-N 2 1 321.425 -0.501 20 30 DBEDMP CC[C@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190889445 834201957 /nfs/dbraw/zinc/20/19/57/834201957.db2.gz KYMUONUJILQXEK-QWHCGFSZSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC[C@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190889445 834201964 /nfs/dbraw/zinc/20/19/64/834201964.db2.gz KYMUONUJILQXEK-QWHCGFSZSA-N 2 1 309.414 -0.501 20 30 DBEDMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001191999867 834315371 /nfs/dbraw/zinc/31/53/71/834315371.db2.gz YVGDRVMGFFFBNB-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CC1(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C2)CC1 ZINC001191999867 834315380 /nfs/dbraw/zinc/31/53/80/834315380.db2.gz YVGDRVMGFFFBNB-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[NH+](CC)CC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192958075 834447479 /nfs/dbraw/zinc/44/74/79/834447479.db2.gz DRZJPTBDVBAFHO-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001193024441 834454790 /nfs/dbraw/zinc/45/47/90/834454790.db2.gz XWXOUJRPIHDHGM-BZUAXINKSA-N 2 1 323.437 -0.308 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@@H+](C)CC)C1 ZINC001193278635 834479899 /nfs/dbraw/zinc/47/98/99/834479899.db2.gz IGZBSXRAJQQISC-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001193278635 834479904 /nfs/dbraw/zinc/47/99/04/834479904.db2.gz IGZBSXRAJQQISC-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193278635 834479909 /nfs/dbraw/zinc/47/99/09/834479909.db2.gz IGZBSXRAJQQISC-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)CC)C1 ZINC001193278635 834479914 /nfs/dbraw/zinc/47/99/14/834479914.db2.gz IGZBSXRAJQQISC-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP COC(=O)[C@@H]1CN(C(=O)NCC#CC[NH+](C)C)CC[N@@H+](C)C1 ZINC001251708093 834503529 /nfs/dbraw/zinc/50/35/29/834503529.db2.gz KEGHWFWKWMSGEA-ZDUSSCGKSA-N 2 1 310.398 -0.702 20 30 DBEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193571648 834510653 /nfs/dbraw/zinc/51/06/53/834510653.db2.gz UHZXYMPQPLOUQF-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCCCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193571648 834510665 /nfs/dbraw/zinc/51/06/65/834510665.db2.gz UHZXYMPQPLOUQF-CQSZACIVSA-N 2 1 323.441 -0.109 20 30 DBEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@@H](O)C(=O)OC)CC1 ZINC001252421272 834536695 /nfs/dbraw/zinc/53/66/95/834536695.db2.gz AOBVQFAHZFFLOW-OAHLLOKOSA-N 2 1 311.426 -0.188 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001193960853 834551465 /nfs/dbraw/zinc/55/14/65/834551465.db2.gz FHFLPSVUVWTFKT-KFWWJZLASA-N 2 1 313.442 -0.064 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001993 834556382 /nfs/dbraw/zinc/55/63/82/834556382.db2.gz MFNOOOLQTFVQFT-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194001993 834556387 /nfs/dbraw/zinc/55/63/87/834556387.db2.gz MFNOOOLQTFVQFT-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194001993 834556389 /nfs/dbraw/zinc/55/63/89/834556389.db2.gz MFNOOOLQTFVQFT-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194001993 834556393 /nfs/dbraw/zinc/55/63/93/834556393.db2.gz MFNOOOLQTFVQFT-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027237 834559265 /nfs/dbraw/zinc/55/92/65/834559265.db2.gz QCGSMDNHKJJYMB-CQSZACIVSA-N 2 1 308.426 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027237 834559266 /nfs/dbraw/zinc/55/92/66/834559266.db2.gz QCGSMDNHKJJYMB-CQSZACIVSA-N 2 1 308.426 -0.083 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194028430 834559777 /nfs/dbraw/zinc/55/97/77/834559777.db2.gz ZQYMHQIBISTLND-CYBMUJFWSA-N 2 1 307.398 -0.745 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194028430 834559790 /nfs/dbraw/zinc/55/97/90/834559790.db2.gz ZQYMHQIBISTLND-CYBMUJFWSA-N 2 1 307.398 -0.745 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@@H+](C)CC(=O)NC)C2)CC1 ZINC001194246969 834579397 /nfs/dbraw/zinc/57/93/97/834579397.db2.gz UNENZPDGVRFOSL-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(=O)NC)C2)CC1 ZINC001194246969 834579405 /nfs/dbraw/zinc/57/94/05/834579405.db2.gz UNENZPDGVRFOSL-OAHLLOKOSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001263850324 834990669 /nfs/dbraw/zinc/99/06/69/834990669.db2.gz LUDDJJCGDLHNHL-MCIONIFRSA-N 2 1 306.410 -0.828 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001263850433 834990687 /nfs/dbraw/zinc/99/06/87/834990687.db2.gz PFVSKBZPRSBHGQ-UPJWGTAASA-N 2 1 307.398 -0.938 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CC[N@H+]1CC#CCOC ZINC001264049283 835004323 /nfs/dbraw/zinc/00/43/23/835004323.db2.gz ULNHRUWEDIBESQ-XHSDSOJGSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CN(C)CCO2)CCN1CC#CCOC ZINC001264049283 835004331 /nfs/dbraw/zinc/00/43/31/835004331.db2.gz ULNHRUWEDIBESQ-XHSDSOJGSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157384 835015571 /nfs/dbraw/zinc/01/55/71/835015571.db2.gz DHMCSYFQFURHCS-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]1C ZINC001264157384 835015578 /nfs/dbraw/zinc/01/55/78/835015578.db2.gz DHMCSYFQFURHCS-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787724 835056847 /nfs/dbraw/zinc/05/68/47/835056847.db2.gz CUUTUENHFKGQLP-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@H](C)C(=O)NC ZINC001264996610 835068101 /nfs/dbraw/zinc/06/81/01/835068101.db2.gz MCQFGBFISDJPJC-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@H](C)C(=O)NC ZINC001264996610 835068111 /nfs/dbraw/zinc/06/81/11/835068111.db2.gz MCQFGBFISDJPJC-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)NC ZINC001264996610 835068120 /nfs/dbraw/zinc/06/81/20/835068120.db2.gz MCQFGBFISDJPJC-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)C(=O)NC ZINC001264996610 835068128 /nfs/dbraw/zinc/06/81/28/835068128.db2.gz MCQFGBFISDJPJC-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001199943171 835073847 /nfs/dbraw/zinc/07/38/47/835073847.db2.gz FPSLYROQHMOWQQ-OAHLLOKOSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943171 835073852 /nfs/dbraw/zinc/07/38/52/835073852.db2.gz FPSLYROQHMOWQQ-OAHLLOKOSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200182801 835103883 /nfs/dbraw/zinc/10/38/83/835103883.db2.gz UGLOOYUPJLIHHJ-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200182801 835103888 /nfs/dbraw/zinc/10/38/88/835103888.db2.gz UGLOOYUPJLIHHJ-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360380 835134030 /nfs/dbraw/zinc/13/40/30/835134030.db2.gz KSPUBNPWZOYKRK-ZIAGYGMSSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001200637435 835141635 /nfs/dbraw/zinc/14/16/35/835141635.db2.gz UJXBPRVFTZESQC-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001265478403 835146233 /nfs/dbraw/zinc/14/62/33/835146233.db2.gz BURGTKDNXSKEQM-AIEDFZFUSA-N 2 1 320.437 -0.299 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200721230 835147768 /nfs/dbraw/zinc/14/77/68/835147768.db2.gz JZHJHEGGWRCFPY-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCO)C1 ZINC001200721230 835147774 /nfs/dbraw/zinc/14/77/74/835147774.db2.gz JZHJHEGGWRCFPY-GJZGRUSLSA-N 2 1 309.410 -0.717 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[NH+]1C ZINC001265719515 835166637 /nfs/dbraw/zinc/16/66/37/835166637.db2.gz MJIIKMQNBIVYTP-QMIVOQANSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@@H+]1C ZINC001265719515 835166638 /nfs/dbraw/zinc/16/66/38/835166638.db2.gz MJIIKMQNBIVYTP-QMIVOQANSA-N 2 1 320.437 -0.182 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCC[N@H+]1C ZINC001265719515 835166641 /nfs/dbraw/zinc/16/66/41/835166641.db2.gz MJIIKMQNBIVYTP-QMIVOQANSA-N 2 1 320.437 -0.182 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001201066457 835167168 /nfs/dbraw/zinc/16/71/68/835167168.db2.gz KADWGMOAWZXTJA-UHFFFAOYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001201093806 835168548 /nfs/dbraw/zinc/16/85/48/835168548.db2.gz ITIGLOQPYGWNLR-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC)CC1 ZINC001201093806 835168553 /nfs/dbraw/zinc/16/85/53/835168553.db2.gz ITIGLOQPYGWNLR-AWEZNQCLSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1CC ZINC001265786576 835172600 /nfs/dbraw/zinc/17/26/00/835172600.db2.gz PVFCERNXBMRULX-HIFRSBDPSA-N 2 1 318.425 -0.010 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1cnnn1CC ZINC001265786576 835172603 /nfs/dbraw/zinc/17/26/03/835172603.db2.gz PVFCERNXBMRULX-HIFRSBDPSA-N 2 1 318.425 -0.010 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnnn1CC ZINC001265786577 835172639 /nfs/dbraw/zinc/17/26/39/835172639.db2.gz PVFCERNXBMRULX-ZFWWWQNUSA-N 2 1 318.425 -0.010 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1cnnn1CC ZINC001265786577 835172643 /nfs/dbraw/zinc/17/26/43/835172643.db2.gz PVFCERNXBMRULX-ZFWWWQNUSA-N 2 1 318.425 -0.010 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201266732 835179264 /nfs/dbraw/zinc/17/92/64/835179264.db2.gz FRGPOACBWXDTLQ-AWEZNQCLSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001201267873 835179479 /nfs/dbraw/zinc/17/94/79/835179479.db2.gz SILNHFBXDNYYFJ-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265912655 835197928 /nfs/dbraw/zinc/19/79/28/835197928.db2.gz IRYFHRKMZWLEHU-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266028751 835218509 /nfs/dbraw/zinc/21/85/09/835218509.db2.gz CNLXURQSQUNQEZ-LSDHHAIUSA-N 2 1 320.437 -0.484 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202109275 835232293 /nfs/dbraw/zinc/23/22/93/835232293.db2.gz OCZGPPLGHCAVOW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202109275 835232302 /nfs/dbraw/zinc/23/23/02/835232302.db2.gz OCZGPPLGHCAVOW-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC001266126440 835234556 /nfs/dbraw/zinc/23/45/56/835234556.db2.gz WUZINTMSSZVBFR-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266126440 835234562 /nfs/dbraw/zinc/23/45/62/835234562.db2.gz WUZINTMSSZVBFR-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001266126440 835234566 /nfs/dbraw/zinc/23/45/66/835234566.db2.gz WUZINTMSSZVBFR-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001266151269 835238691 /nfs/dbraw/zinc/23/86/91/835238691.db2.gz AGPJJVYHIIDHTQ-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001266151269 835238697 /nfs/dbraw/zinc/23/86/97/835238697.db2.gz AGPJJVYHIIDHTQ-GJZGRUSLSA-N 2 1 318.421 -0.682 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266352701 835288716 /nfs/dbraw/zinc/28/87/16/835288716.db2.gz GKHBEHMPUVHVOS-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266352701 835288724 /nfs/dbraw/zinc/28/87/24/835288724.db2.gz GKHBEHMPUVHVOS-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352701 835288734 /nfs/dbraw/zinc/28/87/34/835288734.db2.gz GKHBEHMPUVHVOS-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352701 835288744 /nfs/dbraw/zinc/28/87/44/835288744.db2.gz GKHBEHMPUVHVOS-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@@H](C)C(=O)NC)CC1 ZINC001266440388 835307171 /nfs/dbraw/zinc/30/71/71/835307171.db2.gz RAEDAJKBVJUPLG-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@@H](C)C(=O)NC)CC1 ZINC001266440388 835307179 /nfs/dbraw/zinc/30/71/79/835307179.db2.gz RAEDAJKBVJUPLG-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203925259 835310982 /nfs/dbraw/zinc/31/09/82/835310982.db2.gz MBOAWVOABYIYPR-UHFFFAOYSA-N 2 1 309.414 -0.453 20 30 DBEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001266505123 835320999 /nfs/dbraw/zinc/32/09/99/835320999.db2.gz DCKLLDJFVYZZKK-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001266505123 835321009 /nfs/dbraw/zinc/32/10/09/835321009.db2.gz DCKLLDJFVYZZKK-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266505123 835321018 /nfs/dbraw/zinc/32/10/18/835321018.db2.gz DCKLLDJFVYZZKK-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001266505123 835321027 /nfs/dbraw/zinc/32/10/27/835321027.db2.gz DCKLLDJFVYZZKK-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001204798029 835327409 /nfs/dbraw/zinc/32/74/09/835327409.db2.gz DLINBPFCUDHOJH-OAHLLOKOSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001204798400 835327420 /nfs/dbraw/zinc/32/74/20/835327420.db2.gz IOVHBUVVJVIHAY-AWEZNQCLSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001266531707 835330410 /nfs/dbraw/zinc/33/04/10/835330410.db2.gz CEDNAGGZQQOOPT-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001266539996 835333455 /nfs/dbraw/zinc/33/34/55/835333455.db2.gz MYWDWOAMNQXTDG-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001266539996 835333464 /nfs/dbraw/zinc/33/34/64/835333464.db2.gz MYWDWOAMNQXTDG-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001266539996 835333473 /nfs/dbraw/zinc/33/34/73/835333473.db2.gz MYWDWOAMNQXTDG-CQSZACIVSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001266551278 835334794 /nfs/dbraw/zinc/33/47/94/835334794.db2.gz OVEHZXIVPRAJBK-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551278 835334801 /nfs/dbraw/zinc/33/48/01/835334801.db2.gz OVEHZXIVPRAJBK-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001266551278 835334808 /nfs/dbraw/zinc/33/48/08/835334808.db2.gz OVEHZXIVPRAJBK-CABCVRRESA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001266667049 835355309 /nfs/dbraw/zinc/35/53/09/835355309.db2.gz NOHAWNFCMKJYMU-UONOGXRCSA-N 2 1 324.425 -0.848 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCN(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001266667049 835355320 /nfs/dbraw/zinc/35/53/20/835355320.db2.gz NOHAWNFCMKJYMU-UONOGXRCSA-N 2 1 324.425 -0.848 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266699861 835364400 /nfs/dbraw/zinc/36/44/00/835364400.db2.gz QWPYXVCCRMFKME-CQSZACIVSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)N1CCCC1 ZINC001266729052 835370143 /nfs/dbraw/zinc/37/01/43/835370143.db2.gz WLBDLPDBLHJEEB-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266995846 835424729 /nfs/dbraw/zinc/42/47/29/835424729.db2.gz WFJMAHZMQDYQLV-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001267012165 835429104 /nfs/dbraw/zinc/42/91/04/835429104.db2.gz ZVJXGTDFBFFJBG-GJZGRUSLSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001267012165 835429109 /nfs/dbraw/zinc/42/91/09/835429109.db2.gz ZVJXGTDFBFFJBG-GJZGRUSLSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267069520 835439587 /nfs/dbraw/zinc/43/95/87/835439587.db2.gz YKKHVJZPUOGNDE-UONOGXRCSA-N 2 1 306.410 -0.874 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267108536 835443546 /nfs/dbraw/zinc/44/35/46/835443546.db2.gz OVCKBAVABRURBN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001267108536 835443549 /nfs/dbraw/zinc/44/35/49/835443549.db2.gz OVCKBAVABRURBN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001267108536 835443551 /nfs/dbraw/zinc/44/35/51/835443551.db2.gz OVCKBAVABRURBN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001267108536 835443552 /nfs/dbraw/zinc/44/35/52/835443552.db2.gz OVCKBAVABRURBN-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001206953426 835444086 /nfs/dbraw/zinc/44/40/86/835444086.db2.gz JVHPPLAVZPWGEG-UHFFFAOYSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)CN1CCC[C@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001267271339 835473127 /nfs/dbraw/zinc/47/31/27/835473127.db2.gz TVRWDHHAHKMZGX-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267770714 835593032 /nfs/dbraw/zinc/59/30/32/835593032.db2.gz PZBDMTIYAXXWNS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267770714 835593034 /nfs/dbraw/zinc/59/30/34/835593034.db2.gz PZBDMTIYAXXWNS-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001268138208 835636003 /nfs/dbraw/zinc/63/60/03/835636003.db2.gz AWIVEIXOGVFTFX-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001268629220 835760000 /nfs/dbraw/zinc/76/00/00/835760000.db2.gz UWICEIGRFNNDQL-XVWMLYKFSA-N 2 1 309.410 -0.381 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001268629220 835760006 /nfs/dbraw/zinc/76/00/06/835760006.db2.gz UWICEIGRFNNDQL-XVWMLYKFSA-N 2 1 309.410 -0.381 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268747308 835798853 /nfs/dbraw/zinc/79/88/53/835798853.db2.gz QJWMQPZVBXVWSE-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268747308 835798859 /nfs/dbraw/zinc/79/88/59/835798859.db2.gz QJWMQPZVBXVWSE-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268747308 835798865 /nfs/dbraw/zinc/79/88/65/835798865.db2.gz QJWMQPZVBXVWSE-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268747308 835798873 /nfs/dbraw/zinc/79/88/73/835798873.db2.gz QJWMQPZVBXVWSE-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750448 835799355 /nfs/dbraw/zinc/79/93/55/835799355.db2.gz AKSDZOKBVJUKSN-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750448 835799364 /nfs/dbraw/zinc/79/93/64/835799364.db2.gz AKSDZOKBVJUKSN-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268750448 835799374 /nfs/dbraw/zinc/79/93/74/835799374.db2.gz AKSDZOKBVJUKSN-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268750448 835799384 /nfs/dbraw/zinc/79/93/84/835799384.db2.gz AKSDZOKBVJUKSN-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373874 1013165194 /nfs/dbraw/zinc/16/51/94/1013165194.db2.gz YFUFITGXOPPTJQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485373874 1013165201 /nfs/dbraw/zinc/16/52/01/1013165201.db2.gz YFUFITGXOPPTJQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485373874 1013165210 /nfs/dbraw/zinc/16/52/10/1013165210.db2.gz YFUFITGXOPPTJQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485373874 1013165218 /nfs/dbraw/zinc/16/52/18/1013165218.db2.gz YFUFITGXOPPTJQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NC)CC1 ZINC001485388653 1013178412 /nfs/dbraw/zinc/17/84/12/1013178412.db2.gz OKHACIIJBLVGHS-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NC)CC1 ZINC001485388653 1013178419 /nfs/dbraw/zinc/17/84/19/1013178419.db2.gz OKHACIIJBLVGHS-CYBMUJFWSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485578121 1013278596 /nfs/dbraw/zinc/27/85/96/1013278596.db2.gz VDZCFWLMDSYUQR-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485578121 1013278603 /nfs/dbraw/zinc/27/86/03/1013278603.db2.gz VDZCFWLMDSYUQR-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001485714223 1013334809 /nfs/dbraw/zinc/33/48/09/1013334809.db2.gz CGXKAVVUBGVFKP-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001486129543 1013689119 /nfs/dbraw/zinc/68/91/19/1013689119.db2.gz QPPJRPQXPIHHQP-DGCLKSJQSA-N 2 1 318.381 -0.590 20 30 DBEDMP COCC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001486495921 1013849320 /nfs/dbraw/zinc/84/93/20/1013849320.db2.gz GPCGWLCAWDQRNE-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001207688061 978236723 /nfs/dbraw/zinc/23/67/23/978236723.db2.gz LKEMCEBFMCKXJQ-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070603 978315327 /nfs/dbraw/zinc/31/53/27/978315327.db2.gz NXVGUPUKLRSWSR-RBSFLKMASA-N 2 1 320.437 -0.343 20 30 DBEDMP C[N@@H+](CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001208340782 978346186 /nfs/dbraw/zinc/34/61/86/978346186.db2.gz PTRUCZMUDHIKSR-ZDUSSCGKSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208352322 978349213 /nfs/dbraw/zinc/34/92/13/978349213.db2.gz BKTZCEGNFQDJIK-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)N(C)C)C1 ZINC001208352322 978349227 /nfs/dbraw/zinc/34/92/27/978349227.db2.gz BKTZCEGNFQDJIK-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001208423480 978362449 /nfs/dbraw/zinc/36/24/49/978362449.db2.gz LJBAGFBQVJMLQU-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208424415 978364614 /nfs/dbraw/zinc/36/46/14/978364614.db2.gz YLTMCOBRALQUQS-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001209641339 978469905 /nfs/dbraw/zinc/46/99/05/978469905.db2.gz ISMLRFXCGMQFBW-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210147069 978498720 /nfs/dbraw/zinc/49/87/20/978498720.db2.gz ZCIYYMZQYRMVKQ-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276887 978506899 /nfs/dbraw/zinc/50/68/99/978506899.db2.gz MZGXZCQNLJJPHU-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001210276887 978506907 /nfs/dbraw/zinc/50/69/07/978506907.db2.gz MZGXZCQNLJJPHU-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210276887 978506913 /nfs/dbraw/zinc/50/69/13/978506913.db2.gz MZGXZCQNLJJPHU-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001210276887 978506918 /nfs/dbraw/zinc/50/69/18/978506918.db2.gz MZGXZCQNLJJPHU-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673864 978525982 /nfs/dbraw/zinc/52/59/82/978525982.db2.gz IKUZUVQHIJGDIA-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001210773751 978529730 /nfs/dbraw/zinc/52/97/30/978529730.db2.gz OARJICBYDJXKFR-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211065587 978553620 /nfs/dbraw/zinc/55/36/20/978553620.db2.gz XSHXLKHBAKDRRD-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367615 978569260 /nfs/dbraw/zinc/56/92/60/978569260.db2.gz XOCOKWFWEBCCIV-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367615 978569268 /nfs/dbraw/zinc/56/92/68/978569268.db2.gz XOCOKWFWEBCCIV-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367615 978569272 /nfs/dbraw/zinc/56/92/72/978569272.db2.gz XOCOKWFWEBCCIV-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367615 978569275 /nfs/dbraw/zinc/56/92/75/978569275.db2.gz XOCOKWFWEBCCIV-RBSFLKMASA-N 2 1 322.453 -0.099 20 30 DBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214387142 978729203 /nfs/dbraw/zinc/72/92/03/978729203.db2.gz UMVUZSYIHMFKCJ-RBSFLKMASA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214387142 978729204 /nfs/dbraw/zinc/72/92/04/978729204.db2.gz UMVUZSYIHMFKCJ-RBSFLKMASA-N 2 1 311.426 -0.044 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001215544239 978772547 /nfs/dbraw/zinc/77/25/47/978772547.db2.gz LZZXZZNSQUUBGQ-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215544238 978773805 /nfs/dbraw/zinc/77/38/05/978773805.db2.gz LZZXZZNSQUUBGQ-BFHYXJOUSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216383048 978785489 /nfs/dbraw/zinc/78/54/89/978785489.db2.gz HBLKVMUOIVRJFU-MGPQQGTHSA-N 2 1 321.425 -0.596 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H](C2CC2)[NH+](C)C)[C@@H](O)C1 ZINC001219803772 979018163 /nfs/dbraw/zinc/01/81/63/979018163.db2.gz FLQUBNIRKXNFPY-QLFBSQMISA-N 2 1 311.426 -0.310 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001219802390 979018802 /nfs/dbraw/zinc/01/88/02/979018802.db2.gz LXOZJIVVTGEJRN-KGLIPLIRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCCOC)C[C@@H]1O ZINC001219821580 979024216 /nfs/dbraw/zinc/02/42/16/979024216.db2.gz RUGXPALCTUXTIK-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377549 979179281 /nfs/dbraw/zinc/17/92/81/979179281.db2.gz CMLKBRHFZPEEJP-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377549 979179284 /nfs/dbraw/zinc/17/92/84/979179284.db2.gz CMLKBRHFZPEEJP-KFWWJZLASA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220387104 979186051 /nfs/dbraw/zinc/18/60/51/979186051.db2.gz BVGOZDZRGHWJOJ-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001222613350 979521790 /nfs/dbraw/zinc/52/17/90/979521790.db2.gz XPNJLMYVXUCLSR-HNNXBMFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001225428240 979597299 /nfs/dbraw/zinc/59/72/99/979597299.db2.gz YYHCOTPJRLZFFR-HNNXBMFYSA-N 2 1 320.437 -0.484 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001225524760 979599475 /nfs/dbraw/zinc/59/94/75/979599475.db2.gz KCULCPOQSMFIPG-BZUAXINKSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001225524760 979599482 /nfs/dbraw/zinc/59/94/82/979599482.db2.gz KCULCPOQSMFIPG-BZUAXINKSA-N 2 1 323.437 -0.016 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001325111792 979700439 /nfs/dbraw/zinc/70/04/39/979700439.db2.gz WDVGTHBUDQLNNK-CZUORRHYSA-N 2 1 302.378 -0.368 20 30 DBEDMP C#CCN1CC[C@@](O)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001325111792 979700448 /nfs/dbraw/zinc/70/04/48/979700448.db2.gz WDVGTHBUDQLNNK-CZUORRHYSA-N 2 1 302.378 -0.368 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC([NH+](C)CC(=O)NCC#N)CC1 ZINC001331074834 979854977 /nfs/dbraw/zinc/85/49/77/979854977.db2.gz OTHHOCHWGCBGPR-UHFFFAOYSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC001331074834 979854982 /nfs/dbraw/zinc/85/49/82/979854982.db2.gz OTHHOCHWGCBGPR-UHFFFAOYSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC001331074834 979854986 /nfs/dbraw/zinc/85/49/86/979854986.db2.gz OTHHOCHWGCBGPR-UHFFFAOYSA-N 2 1 323.441 -0.111 20 30 DBEDMP C[C@H](Cc1cnc[nH]1)C(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001331584518 979891481 /nfs/dbraw/zinc/89/14/81/979891481.db2.gz LRKBXZPPLSDPLL-NEPJUHHUSA-N 2 1 320.397 -0.335 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001490888599 1015150804 /nfs/dbraw/zinc/15/08/04/1015150804.db2.gz DPHRNLBHIZQSNR-FDYHWXHSSA-N 2 1 307.398 -0.797 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490947036 1015168533 /nfs/dbraw/zinc/16/85/33/1015168533.db2.gz VWQRHMYEZUBQBJ-AJNGGQMLSA-N 2 1 320.437 -0.297 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001491004377 1015185773 /nfs/dbraw/zinc/18/57/73/1015185773.db2.gz GACIBRCJJALKHQ-IGQOVBAYSA-N 2 1 324.425 -0.756 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001491004377 1015185783 /nfs/dbraw/zinc/18/57/83/1015185783.db2.gz GACIBRCJJALKHQ-IGQOVBAYSA-N 2 1 324.425 -0.756 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001491017847 1015194434 /nfs/dbraw/zinc/19/44/34/1015194434.db2.gz BURGTKDNXSKEQM-ARILJUKYSA-N 2 1 320.437 -0.299 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001491026320 1015196598 /nfs/dbraw/zinc/19/65/98/1015196598.db2.gz NAUUQJUFHYXVQQ-QLFBSQMISA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCNC(=O)CC[N@H+](C)CC)CC1 ZINC001491365874 1015374301 /nfs/dbraw/zinc/37/43/01/1015374301.db2.gz ZCKMJJQJIKVJCN-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001491486011 1015446885 /nfs/dbraw/zinc/44/68/85/1015446885.db2.gz AAMVZEXUWGCTAU-KBPBESRZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NC(C)C ZINC001491486011 1015446891 /nfs/dbraw/zinc/44/68/91/1015446891.db2.gz AAMVZEXUWGCTAU-KBPBESRZSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001491560948 1015489063 /nfs/dbraw/zinc/48/90/63/1015489063.db2.gz STWHCYOMLHAICV-RDBSUJKOSA-N 2 1 308.426 -0.440 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376874992 990363140 /nfs/dbraw/zinc/36/31/40/990363140.db2.gz FVFRKKNPJPTNHV-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001493022398 1015840184 /nfs/dbraw/zinc/84/01/84/1015840184.db2.gz OTTGBKOIMWQIIR-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001493022398 1015840185 /nfs/dbraw/zinc/84/01/85/1015840185.db2.gz OTTGBKOIMWQIIR-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001493022398 1015840186 /nfs/dbraw/zinc/84/01/86/1015840186.db2.gz OTTGBKOIMWQIIR-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001493022398 1015840187 /nfs/dbraw/zinc/84/01/87/1015840187.db2.gz OTTGBKOIMWQIIR-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001493186783 1015865138 /nfs/dbraw/zinc/86/51/38/1015865138.db2.gz ZQTUWUFFISIXIW-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493186783 1015865139 /nfs/dbraw/zinc/86/51/39/1015865139.db2.gz ZQTUWUFFISIXIW-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001493186783 1015865143 /nfs/dbraw/zinc/86/51/43/1015865143.db2.gz ZQTUWUFFISIXIW-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357114 1015898423 /nfs/dbraw/zinc/89/84/23/1015898423.db2.gz OKNUOJOUVUZYBW-UKRRQHHQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001493357114 1015898426 /nfs/dbraw/zinc/89/84/26/1015898426.db2.gz OKNUOJOUVUZYBW-UKRRQHHQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001493357114 1015898430 /nfs/dbraw/zinc/89/84/30/1015898430.db2.gz OKNUOJOUVUZYBW-UKRRQHHQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC001493357114 1015898433 /nfs/dbraw/zinc/89/84/33/1015898433.db2.gz OKNUOJOUVUZYBW-UKRRQHHQSA-N 2 1 320.437 -0.201 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC#CCOC ZINC001496991715 1017175232 /nfs/dbraw/zinc/17/52/32/1017175232.db2.gz MOQJRJQPYQKHFH-CABCVRRESA-N 2 1 311.426 -0.423 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001494180306 1016185363 /nfs/dbraw/zinc/18/53/63/1016185363.db2.gz JSNYPALHGODZEZ-AWEZNQCLSA-N 2 1 321.425 -0.498 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H](O)COC)C2)CC1 ZINC001494739322 1016408465 /nfs/dbraw/zinc/40/84/65/1016408465.db2.gz VKGYRPGPOARWDX-HOTGVXAUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001495023516 1016524063 /nfs/dbraw/zinc/52/40/63/1016524063.db2.gz KQDDOFIAOVTUTB-KGLIPLIRSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001495301367 1016608101 /nfs/dbraw/zinc/60/81/01/1016608101.db2.gz UDVLWCQVFDMESU-GUYCJALGSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001495684133 1016690175 /nfs/dbraw/zinc/69/01/75/1016690175.db2.gz TYDCBPOVOMAVHZ-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC1CC1 ZINC001495684133 1016690184 /nfs/dbraw/zinc/69/01/84/1016690184.db2.gz TYDCBPOVOMAVHZ-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)NCCCCN1CC[NH+](C)CC1 ZINC001477923679 1010124094 /nfs/dbraw/zinc/12/40/94/1010124094.db2.gz CSDXXJFDFOGKGN-UHFFFAOYSA-N 2 1 309.458 -0.122 20 30 DBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001479680314 1010338826 /nfs/dbraw/zinc/33/88/26/1010338826.db2.gz RUBVZZCJDMIFHI-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001479680314 1010338843 /nfs/dbraw/zinc/33/88/43/1010338843.db2.gz RUBVZZCJDMIFHI-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001479680314 1010338849 /nfs/dbraw/zinc/33/88/49/1010338849.db2.gz RUBVZZCJDMIFHI-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001479680314 1010338864 /nfs/dbraw/zinc/33/88/64/1010338864.db2.gz RUBVZZCJDMIFHI-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001479680315 1010340526 /nfs/dbraw/zinc/34/05/26/1010340526.db2.gz RUBVZZCJDMIFHI-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[NH+](C)CCOCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001479680315 1010340537 /nfs/dbraw/zinc/34/05/37/1010340537.db2.gz RUBVZZCJDMIFHI-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[N@@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001479680315 1010340553 /nfs/dbraw/zinc/34/05/53/1010340553.db2.gz RUBVZZCJDMIFHI-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP C#CC[N@H+](C)CCOCCN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001479680315 1010340562 /nfs/dbraw/zinc/34/05/62/1010340562.db2.gz RUBVZZCJDMIFHI-OAHLLOKOSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC[N@@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC(=O)NCC#N ZINC001479860190 1010422571 /nfs/dbraw/zinc/42/25/71/1010422571.db2.gz WGQGUPGPJMZVBN-UHFFFAOYSA-N 2 1 321.425 -0.450 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480118695 1010539238 /nfs/dbraw/zinc/53/92/38/1010539238.db2.gz SLFRHYUBYCESPW-HNNXBMFYSA-N 2 1 309.410 -0.451 20 30 DBEDMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001480381948 1010621524 /nfs/dbraw/zinc/62/15/24/1010621524.db2.gz GIQBVTCYFUTMJA-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001480381948 1010621528 /nfs/dbraw/zinc/62/15/28/1010621528.db2.gz GIQBVTCYFUTMJA-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CCC)CC(N)=O)CC1 ZINC001481154990 1010847689 /nfs/dbraw/zinc/84/76/89/1010847689.db2.gz PHFGXLSISPNUPQ-UHFFFAOYSA-N 2 1 308.426 -0.355 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CCC)CC(N)=O)CC1 ZINC001481154990 1010847693 /nfs/dbraw/zinc/84/76/93/1010847693.db2.gz PHFGXLSISPNUPQ-UHFFFAOYSA-N 2 1 308.426 -0.355 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001481290237 1010882582 /nfs/dbraw/zinc/88/25/82/1010882582.db2.gz FTCQRTVDVHOWTD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481642173 1010947254 /nfs/dbraw/zinc/94/72/54/1010947254.db2.gz CPGDGFCFFDOGFF-CQSZACIVSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481695288 1010966852 /nfs/dbraw/zinc/96/68/52/1010966852.db2.gz OZJVSRGCPODOLO-KGLIPLIRSA-N 2 1 320.437 -0.037 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481695288 1010966858 /nfs/dbraw/zinc/96/68/58/1010966858.db2.gz OZJVSRGCPODOLO-KGLIPLIRSA-N 2 1 320.437 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001481812741 1011005430 /nfs/dbraw/zinc/00/54/30/1011005430.db2.gz SIZXUCKOSKZCOB-MGPQQGTHSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482100188 1011051860 /nfs/dbraw/zinc/05/18/60/1011051860.db2.gz BCBJPZIALRNLKH-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482329608 1011120241 /nfs/dbraw/zinc/12/02/41/1011120241.db2.gz CRDYJKPLIIPJPT-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642796 1011247172 /nfs/dbraw/zinc/24/71/72/1011247172.db2.gz UBQYBLMNCPVDBE-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642796 1011247156 /nfs/dbraw/zinc/24/71/56/1011247156.db2.gz UBQYBLMNCPVDBE-AWEZNQCLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@H+](C)C(C)C ZINC001482696620 1011270586 /nfs/dbraw/zinc/27/05/86/1011270586.db2.gz CXXNSWPQAXFARX-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cn1c[nH+]cc1C ZINC001483035554 1011629510 /nfs/dbraw/zinc/62/95/10/1011629510.db2.gz CPIOADTXHISBPJ-SNAWJCMRSA-N 2 1 303.366 -0.797 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001483605791 1011962940 /nfs/dbraw/zinc/96/29/40/1011962940.db2.gz SHZJUAYXYJQOJN-KGLIPLIRSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001483759464 1012118765 /nfs/dbraw/zinc/11/87/65/1012118765.db2.gz IADLBYKVKWWKST-KBPBESRZSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)CCC ZINC001483952369 1012226470 /nfs/dbraw/zinc/22/64/70/1012226470.db2.gz VPZVEKQAHNOATA-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC(=O)NC)CC1 ZINC001483985676 1012238235 /nfs/dbraw/zinc/23/82/35/1012238235.db2.gz GFPACJUYXKEBED-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC[NH+](CC(=O)NC)CC1 ZINC001483985676 1012238252 /nfs/dbraw/zinc/23/82/52/1012238252.db2.gz GFPACJUYXKEBED-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001484685257 1012827456 /nfs/dbraw/zinc/82/74/56/1012827456.db2.gz OLXMCXGYEJDTDX-OAHLLOKOSA-N 2 1 320.393 -0.342 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177651 1013038050 /nfs/dbraw/zinc/03/80/50/1013038050.db2.gz QZZHFMMPLYOODZ-OLZOCXBDSA-N 2 1 307.398 -0.023 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485178975 1013040486 /nfs/dbraw/zinc/04/04/86/1013040486.db2.gz XJWMTAGLKPHBKG-RYUDHWBXSA-N 2 1 306.370 -0.686 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497613140 1017443536 /nfs/dbraw/zinc/44/35/36/1017443536.db2.gz XXZHNZGTUCRBNC-OOPCZODUSA-N 2 1 307.398 -0.628 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCCC ZINC001497830073 1017516568 /nfs/dbraw/zinc/51/65/68/1017516568.db2.gz MQHIDQLNMXOLIW-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCCC ZINC001497830073 1017516584 /nfs/dbraw/zinc/51/65/84/1017516584.db2.gz MQHIDQLNMXOLIW-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[NH+](C)C1CCC1 ZINC001498311309 1017730987 /nfs/dbraw/zinc/73/09/87/1017730987.db2.gz DQORMRXVVFARPL-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[NH+](C)C1CCC1 ZINC001498311309 1017730994 /nfs/dbraw/zinc/73/09/94/1017730994.db2.gz DQORMRXVVFARPL-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC001498311309 1017730999 /nfs/dbraw/zinc/73/09/99/1017730999.db2.gz DQORMRXVVFARPL-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001498311309 1017731004 /nfs/dbraw/zinc/73/10/04/1017731004.db2.gz DQORMRXVVFARPL-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499225256 1018032997 /nfs/dbraw/zinc/03/29/97/1018032997.db2.gz AGMSDVGYOODSMV-CQSZACIVSA-N 2 1 320.437 -0.153 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001499882219 1018201915 /nfs/dbraw/zinc/20/19/15/1018201915.db2.gz IKTBCXMKGVEXER-CHWSQXEVSA-N 2 1 307.398 -0.699 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500721853 1018426601 /nfs/dbraw/zinc/42/66/01/1018426601.db2.gz HCNDWPWUSHNPBN-KRWDZBQOSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364678 1018651921 /nfs/dbraw/zinc/65/19/21/1018651921.db2.gz PVSDPFZBDAUIKP-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001501364678 1018651931 /nfs/dbraw/zinc/65/19/31/1018651931.db2.gz PVSDPFZBDAUIKP-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001501364678 1018651937 /nfs/dbraw/zinc/65/19/37/1018651937.db2.gz PVSDPFZBDAUIKP-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001501364678 1018651947 /nfs/dbraw/zinc/65/19/47/1018651947.db2.gz PVSDPFZBDAUIKP-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364679 1018652634 /nfs/dbraw/zinc/65/26/34/1018652634.db2.gz PVSDPFZBDAUIKP-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001501364679 1018652644 /nfs/dbraw/zinc/65/26/44/1018652644.db2.gz PVSDPFZBDAUIKP-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001501364679 1018652658 /nfs/dbraw/zinc/65/26/58/1018652658.db2.gz PVSDPFZBDAUIKP-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC[C@](CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001501364679 1018652667 /nfs/dbraw/zinc/65/26/67/1018652667.db2.gz PVSDPFZBDAUIKP-WBVHZDCISA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CCO1 ZINC001502086306 1018985283 /nfs/dbraw/zinc/98/52/83/1018985283.db2.gz BZYBKCZHPURCFB-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456382 1019316264 /nfs/dbraw/zinc/31/62/64/1019316264.db2.gz TVJAGLPOAJDPCZ-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456382 1019316279 /nfs/dbraw/zinc/31/62/79/1019316279.db2.gz TVJAGLPOAJDPCZ-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061394 1019699057 /nfs/dbraw/zinc/69/90/57/1019699057.db2.gz UNRMBLOASIHSKJ-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC#CCOC)C1 ZINC001506061394 1019699064 /nfs/dbraw/zinc/69/90/64/1019699064.db2.gz UNRMBLOASIHSKJ-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC#CCOC)C1 ZINC001506061394 1019699079 /nfs/dbraw/zinc/69/90/79/1019699079.db2.gz UNRMBLOASIHSKJ-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC#CCOC)C1 ZINC001506061394 1019699086 /nfs/dbraw/zinc/69/90/86/1019699086.db2.gz UNRMBLOASIHSKJ-HUUCEWRRSA-N 2 1 311.426 -0.207 20 30 DBEDMP COCC#CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001507288219 1020275545 /nfs/dbraw/zinc/27/55/45/1020275545.db2.gz FBQXUESLENFCFN-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001580038325 1020635026 /nfs/dbraw/zinc/63/50/26/1020635026.db2.gz KORAKAITFUVOBZ-DGAVXFQQSA-N 2 1 320.393 -0.092 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC([N@@H+]3CC[C@@H](O)C3)C1)C2 ZINC001580041835 1020637003 /nfs/dbraw/zinc/63/70/03/1020637003.db2.gz IMTRNEOAXCUXFT-ZWLBXZKKSA-N 2 1 304.394 -0.597 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC([N@H+]3CC[C@@H](O)C3)C1)C2 ZINC001580041835 1020637015 /nfs/dbraw/zinc/63/70/15/1020637015.db2.gz IMTRNEOAXCUXFT-ZWLBXZKKSA-N 2 1 304.394 -0.597 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)C[NH+]1CCCC1 ZINC001522922170 1021915068 /nfs/dbraw/zinc/91/50/68/1021915068.db2.gz OPBRDFWKHOFZIR-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1OCC ZINC001565955316 1024093973 /nfs/dbraw/zinc/09/39/73/1024093973.db2.gz MQRSNPFUCLICHT-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1OCC ZINC001565955316 1024093993 /nfs/dbraw/zinc/09/39/93/1024093993.db2.gz MQRSNPFUCLICHT-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001566520089 1024231014 /nfs/dbraw/zinc/23/10/14/1024231014.db2.gz QBZXQLOHSMJKMW-ZDUSSCGKSA-N 2 1 308.426 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001566520088 1024235501 /nfs/dbraw/zinc/23/55/01/1024235501.db2.gz QBZXQLOHSMJKMW-CYBMUJFWSA-N 2 1 308.426 -0.357 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001566720420 1024353208 /nfs/dbraw/zinc/35/32/08/1024353208.db2.gz URBTZGLQBMGHSJ-UONOGXRCSA-N 2 1 308.426 -0.133 20 30 DBEDMP C[N@@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001566793018 1024372674 /nfs/dbraw/zinc/37/26/74/1024372674.db2.gz GNHNNOZWXCSRJA-HAQNSBGRSA-N 2 1 307.398 -0.653 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001566913497 1024419001 /nfs/dbraw/zinc/41/90/01/1024419001.db2.gz QZVKQWNTUFICFR-OAHLLOKOSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001566913496 1024421126 /nfs/dbraw/zinc/42/11/26/1024421126.db2.gz QZVKQWNTUFICFR-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001567035685 1024479673 /nfs/dbraw/zinc/47/96/73/1024479673.db2.gz DZFLZUPTGIKRJL-DGCLKSJQSA-N 2 1 305.382 -0.576 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001567097002 1024520814 /nfs/dbraw/zinc/52/08/14/1024520814.db2.gz HADXECPPFAAJKP-GJZGRUSLSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC=C)C1 ZINC001567097002 1024520836 /nfs/dbraw/zinc/52/08/36/1024520836.db2.gz HADXECPPFAAJKP-GJZGRUSLSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001567140608 1024543572 /nfs/dbraw/zinc/54/35/72/1024543572.db2.gz OJXHQGXAGUFORY-LSDHHAIUSA-N 2 1 320.437 -0.484 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567203351 1024572590 /nfs/dbraw/zinc/57/25/90/1024572590.db2.gz QXASBNQCHAIUQX-AWEZNQCLSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567203351 1024572609 /nfs/dbraw/zinc/57/26/09/1024572609.db2.gz QXASBNQCHAIUQX-AWEZNQCLSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001567227508 1024585521 /nfs/dbraw/zinc/58/55/21/1024585521.db2.gz WAFZKDHNDGWDCO-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001567347438 1024642705 /nfs/dbraw/zinc/64/27/05/1024642705.db2.gz CQELEEZQYPAZQL-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001567347438 1024642709 /nfs/dbraw/zinc/64/27/09/1024642709.db2.gz CQELEEZQYPAZQL-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001567347438 1024642714 /nfs/dbraw/zinc/64/27/14/1024642714.db2.gz CQELEEZQYPAZQL-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001567347438 1024642722 /nfs/dbraw/zinc/64/27/22/1024642722.db2.gz CQELEEZQYPAZQL-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410264 1024677688 /nfs/dbraw/zinc/67/76/88/1024677688.db2.gz YPJUJTHSEWVPSR-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410264 1024677717 /nfs/dbraw/zinc/67/77/17/1024677717.db2.gz YPJUJTHSEWVPSR-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001567410264 1024677738 /nfs/dbraw/zinc/67/77/38/1024677738.db2.gz YPJUJTHSEWVPSR-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001567410264 1024677755 /nfs/dbraw/zinc/67/77/55/1024677755.db2.gz YPJUJTHSEWVPSR-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410265 1024681125 /nfs/dbraw/zinc/68/11/25/1024681125.db2.gz YPJUJTHSEWVPSR-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410265 1024681136 /nfs/dbraw/zinc/68/11/36/1024681136.db2.gz YPJUJTHSEWVPSR-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001567410265 1024681153 /nfs/dbraw/zinc/68/11/53/1024681153.db2.gz YPJUJTHSEWVPSR-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001567410265 1024681167 /nfs/dbraw/zinc/68/11/67/1024681167.db2.gz YPJUJTHSEWVPSR-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567741665 1024816820 /nfs/dbraw/zinc/81/68/20/1024816820.db2.gz HUJFXXKLTAPLMS-CABCVRRESA-N 2 1 322.453 -0.144 20 30 DBEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001567848620 1024832632 /nfs/dbraw/zinc/83/26/32/1024832632.db2.gz IBSWKHODHUGGGQ-HNNXBMFYSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@@H]1C ZINC001568371126 1024896863 /nfs/dbraw/zinc/89/68/63/1024896863.db2.gz YWZIFOKSNMXKIS-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)C[C@H]1C ZINC001568371125 1024897168 /nfs/dbraw/zinc/89/71/68/1024897168.db2.gz YWZIFOKSNMXKIS-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCN(C)C1=O ZINC001568865565 1025055905 /nfs/dbraw/zinc/05/59/05/1025055905.db2.gz GPCKVSATHUPIGC-VQGNRHNMSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCN(C)C1=O ZINC001568865565 1025055916 /nfs/dbraw/zinc/05/59/16/1025055916.db2.gz GPCKVSATHUPIGC-VQGNRHNMSA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001568970471 1025104012 /nfs/dbraw/zinc/10/40/12/1025104012.db2.gz XXAMEIUZNHCAGT-LQYUOIDQSA-N 2 1 320.437 -0.128 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001568997943 1025111841 /nfs/dbraw/zinc/11/18/41/1025111841.db2.gz PYVASCVMRFCEDF-RDBSUJKOSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)N(C)C ZINC001568997943 1025111845 /nfs/dbraw/zinc/11/18/45/1025111845.db2.gz PYVASCVMRFCEDF-RDBSUJKOSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001569152427 1025160308 /nfs/dbraw/zinc/16/03/08/1025160308.db2.gz BEWUGSIJRRLBTM-CHWSQXEVSA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+](C)[C@H](C)C(N)=O)CC1 ZINC001569152427 1025160319 /nfs/dbraw/zinc/16/03/19/1025160319.db2.gz BEWUGSIJRRLBTM-CHWSQXEVSA-N 2 1 308.426 -0.358 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001569297520 1025191819 /nfs/dbraw/zinc/19/18/19/1025191819.db2.gz MBNGTALLCOXHDA-HUUCEWRRSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001569297520 1025191827 /nfs/dbraw/zinc/19/18/27/1025191827.db2.gz MBNGTALLCOXHDA-HUUCEWRRSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001569306776 1025195121 /nfs/dbraw/zinc/19/51/21/1025195121.db2.gz UVXOOQSRBWKCNJ-GJZGRUSLSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001569306776 1025195124 /nfs/dbraw/zinc/19/51/24/1025195124.db2.gz UVXOOQSRBWKCNJ-GJZGRUSLSA-N 2 1 320.437 -0.343 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2C)CCOCC1 ZINC001569727664 1025310123 /nfs/dbraw/zinc/31/01/23/1025310123.db2.gz GFJISOJDBPVNLJ-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001569881905 1025386681 /nfs/dbraw/zinc/38/66/81/1025386681.db2.gz LOIQQEZOPZZPFG-OAGGEKHMSA-N 2 1 305.422 -0.022 20 30 DBEDMP COCC#CC[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C[C@H]2C1 ZINC001569881905 1025386699 /nfs/dbraw/zinc/38/66/99/1025386699.db2.gz LOIQQEZOPZZPFG-OAGGEKHMSA-N 2 1 305.422 -0.022 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163531 1025508401 /nfs/dbraw/zinc/50/84/01/1025508401.db2.gz LBXUZVPLPGEUQO-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163531 1025508430 /nfs/dbraw/zinc/50/84/30/1025508430.db2.gz LBXUZVPLPGEUQO-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001570286244 1025558653 /nfs/dbraw/zinc/55/86/53/1025558653.db2.gz YGUNUDPFAFYFGS-RDJZCZTQSA-N 2 1 323.437 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCCO)C1 ZINC001570286244 1025558678 /nfs/dbraw/zinc/55/86/78/1025558678.db2.gz YGUNUDPFAFYFGS-RDJZCZTQSA-N 2 1 323.437 -0.591 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570909371 1025797423 /nfs/dbraw/zinc/79/74/23/1025797423.db2.gz INGNOLBFVMCZRZ-KBPBESRZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570909371 1025797466 /nfs/dbraw/zinc/79/74/66/1025797466.db2.gz INGNOLBFVMCZRZ-KBPBESRZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909371 1025797485 /nfs/dbraw/zinc/79/74/85/1025797485.db2.gz INGNOLBFVMCZRZ-KBPBESRZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909371 1025797492 /nfs/dbraw/zinc/79/74/92/1025797492.db2.gz INGNOLBFVMCZRZ-KBPBESRZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001571336035 1025891289 /nfs/dbraw/zinc/89/12/89/1025891289.db2.gz HFGZSXCQFGMZJF-UHFFFAOYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001571397461 1025932863 /nfs/dbraw/zinc/93/28/63/1025932863.db2.gz ZPQWFBZIAOKOMG-GFCCVEGCSA-N 2 1 307.398 -0.070 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001571418231 1025947128 /nfs/dbraw/zinc/94/71/28/1025947128.db2.gz SOORWHSKCBPCNU-GFCCVEGCSA-N 2 1 307.398 -0.070 20 30 DBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)CC[C@H]1CCC[N@H+]1C ZINC001571432673 1025992650 /nfs/dbraw/zinc/99/26/50/1025992650.db2.gz SWIXQSNIILUJOP-HUUCEWRRSA-N 2 1 311.426 -0.423 20 30 DBEDMP NC(=O)c1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cc1 ZINC000264153364 237223124 /nfs/dbraw/zinc/22/31/24/237223124.db2.gz ZXIYGWMPHCQHEJ-UHFFFAOYSA-N 2 1 319.409 -0.088 20 30 DBEDMP COCCn1cc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000283899163 237265075 /nfs/dbraw/zinc/26/50/75/237265075.db2.gz UNRYHLNXCJXXTI-UHFFFAOYSA-N 2 1 324.429 -0.344 20 30 DBEDMP CCN(CC#CC[N@H+](CC)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000284795736 335016957 /nfs/dbraw/zinc/01/69/57/335016957.db2.gz OFMCGWCXOIEPLM-OKILXGFUSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCN(CC#CC[N@@H+](CC)[C@H]1CCNC1=O)[C@@H]1CCNC1=O ZINC000284795736 335016958 /nfs/dbraw/zinc/01/69/58/335016958.db2.gz OFMCGWCXOIEPLM-OKILXGFUSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCN(CC#CC[N@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000284795736 335016960 /nfs/dbraw/zinc/01/69/60/335016960.db2.gz OFMCGWCXOIEPLM-OKILXGFUSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCN(CC#CC[N@@H+](CC)[C@@H]1CCNC1=O)[C@H]1CCNC1=O ZINC000284795736 335016961 /nfs/dbraw/zinc/01/69/61/335016961.db2.gz OFMCGWCXOIEPLM-OKILXGFUSA-N 2 1 306.410 -0.589 20 30 DBEDMP CN(CCC#N)C[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000566124805 374743236 /nfs/dbraw/zinc/74/32/36/374743236.db2.gz MYZOJOFMMRDGPV-OAHLLOKOSA-N 2 1 311.474 -0.192 20 30 DBEDMP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000583564858 378419253 /nfs/dbraw/zinc/41/92/53/378419253.db2.gz IAOUWSDWVYNASX-JKSUJKDBSA-N 2 1 312.458 -0.125 20 30 DBEDMP COCCNC(=[NH2+])NC[C@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000066245382 380664025 /nfs/dbraw/zinc/66/40/25/380664025.db2.gz CSAIKXIEYCIRNN-HNNXBMFYSA-N 2 1 306.410 -0.044 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282585 393592116 /nfs/dbraw/zinc/59/21/16/393592116.db2.gz BRMNYCTUUXHJCC-CABCVRRESA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCN1CC[C@H]([N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282586 393592261 /nfs/dbraw/zinc/59/22/61/393592261.db2.gz BRMNYCTUUXHJCC-GJZGRUSLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](n3cccn3)C2)CC1 ZINC000491726395 393826266 /nfs/dbraw/zinc/82/62/66/393826266.db2.gz GEZFJVOQRMLMEP-OAHLLOKOSA-N 2 1 301.394 -0.093 20 30 DBEDMP C#CCN1CCN(C(=O)CN2CC[C@@H](n3cccn3)C2)CC1 ZINC000491726395 393826273 /nfs/dbraw/zinc/82/62/73/393826273.db2.gz GEZFJVOQRMLMEP-OAHLLOKOSA-N 2 1 301.394 -0.093 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N1CC[N@@H+](C)C[C@H](C(=O)OC)C1 ZINC000491735185 393826924 /nfs/dbraw/zinc/82/69/24/393826924.db2.gz JSBBQCFHCKYKTF-AWEZNQCLSA-N 2 1 324.425 -0.312 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000491735185 393826927 /nfs/dbraw/zinc/82/69/27/393826927.db2.gz JSBBQCFHCKYKTF-AWEZNQCLSA-N 2 1 324.425 -0.312 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CC[NH+](C)C[C@H](C(=O)OC)C1 ZINC000491735185 393826931 /nfs/dbraw/zinc/82/69/31/393826931.db2.gz JSBBQCFHCKYKTF-AWEZNQCLSA-N 2 1 324.425 -0.312 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)[C@@H]2CCO[C@H]2C)CC1 ZINC000491758670 393829068 /nfs/dbraw/zinc/82/90/68/393829068.db2.gz IYCJIDINVJSMBH-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@@H]2CCO[C@H]2C)CC1 ZINC000491758670 393829072 /nfs/dbraw/zinc/82/90/72/393829072.db2.gz IYCJIDINVJSMBH-JKSUJKDBSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000491782899 393831344 /nfs/dbraw/zinc/83/13/44/393831344.db2.gz MWCVLDXYZJAHAM-HNNXBMFYSA-N 2 1 309.458 -0.123 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)C[C@H]1COCCO1)C[C@H]1COCCO1 ZINC000661613611 411749477 /nfs/dbraw/zinc/74/94/77/411749477.db2.gz ZMZYRHRMNJQMDB-HOTGVXAUSA-N 2 1 312.410 -0.316 20 30 DBEDMP COC[C@H]1C[C@@H](O)C[NH+]1CC#CC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649763938 411917294 /nfs/dbraw/zinc/91/72/94/411917294.db2.gz KZDMFXFGBUAIKP-KLHDSHLOSA-N 2 1 312.410 -0.847 20 30 DBEDMP COC[C@H]1C[C@@H](O)C[NH+]1CC#CC[N@@H+]1C[C@H](O)C[C@@H]1COC ZINC000649763938 411917297 /nfs/dbraw/zinc/91/72/97/411917297.db2.gz KZDMFXFGBUAIKP-KLHDSHLOSA-N 2 1 312.410 -0.847 20 30 DBEDMP C[NH+]=C(NCC(=O)NC1CC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261828463 526347519 /nfs/dbraw/zinc/34/75/19/526347519.db2.gz VDBMDLCSJVEYCB-ZDUSSCGKSA-N 2 1 323.441 -0.506 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@@H]([N@H+](C)CC(N)=O)C2)CC1 ZINC000980477394 665767486 /nfs/dbraw/zinc/76/74/86/665767486.db2.gz GKYICWIAPROALA-CQSZACIVSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022220804 664238831 /nfs/dbraw/zinc/23/88/31/664238831.db2.gz QKKCIBRHSYLWRI-BARDWOONSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCCNC2=O)C1 ZINC001022220804 664238833 /nfs/dbraw/zinc/23/88/33/664238833.db2.gz QKKCIBRHSYLWRI-BARDWOONSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCO)CCO2 ZINC000972417379 664396201 /nfs/dbraw/zinc/39/62/01/664396201.db2.gz UKRUFUNJQQOUND-DOTOQJQBSA-N 2 1 321.421 -0.620 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(C1)CN(CCO)CCO2 ZINC000972417379 664396204 /nfs/dbraw/zinc/39/62/04/664396204.db2.gz UKRUFUNJQQOUND-DOTOQJQBSA-N 2 1 321.421 -0.620 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCN(C)CC1 ZINC000170912769 674908575 /nfs/dbraw/zinc/90/85/75/674908575.db2.gz QBJPRVFOHNNAQG-AWEZNQCLSA-N 3 1 324.473 -0.461 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912769 674908577 /nfs/dbraw/zinc/90/85/77/674908577.db2.gz QBJPRVFOHNNAQG-AWEZNQCLSA-N 3 1 324.473 -0.461 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC(=O)NC)CC1 ZINC001028333223 670682340 /nfs/dbraw/zinc/68/23/40/670682340.db2.gz GOEZAYUGXCYECB-OAHLLOKOSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC[N@@H+]2CC(=O)NC)CC1 ZINC001028333223 670682342 /nfs/dbraw/zinc/68/23/42/670682342.db2.gz GOEZAYUGXCYECB-OAHLLOKOSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001028601222 670883813 /nfs/dbraw/zinc/88/38/13/670883813.db2.gz LLYRVCJQMOGPBU-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028601222 670883814 /nfs/dbraw/zinc/88/38/14/670883814.db2.gz LLYRVCJQMOGPBU-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001028601222 670883818 /nfs/dbraw/zinc/88/38/18/670883818.db2.gz LLYRVCJQMOGPBU-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001028601222 670883819 /nfs/dbraw/zinc/88/38/19/670883819.db2.gz LLYRVCJQMOGPBU-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001028601671 670883912 /nfs/dbraw/zinc/88/39/12/670883912.db2.gz SQDAJRJSMCOIQW-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCN(CC(=O)NC)C1 ZINC001028601671 670883913 /nfs/dbraw/zinc/88/39/13/670883913.db2.gz SQDAJRJSMCOIQW-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001028698613 670967646 /nfs/dbraw/zinc/96/76/46/670967646.db2.gz OABKHMLPVIKUKS-UJEKJILKSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001028698613 670967652 /nfs/dbraw/zinc/96/76/52/670967652.db2.gz OABKHMLPVIKUKS-UJEKJILKSA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001028698613 670967653 /nfs/dbraw/zinc/96/76/53/670967653.db2.gz OABKHMLPVIKUKS-UJEKJILKSA-N 2 1 303.406 -0.079 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261976580 671163089 /nfs/dbraw/zinc/16/30/89/671163089.db2.gz NQRBXMYBXFJOLH-UKRRQHHQSA-N 3 1 306.458 -0.612 20 30 DBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186360 678058119 /nfs/dbraw/zinc/05/81/19/678058119.db2.gz OYLDQZDWPFMGHD-CABCVRRESA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186360 678058121 /nfs/dbraw/zinc/05/81/21/678058121.db2.gz OYLDQZDWPFMGHD-CABCVRRESA-N 2 1 320.437 -0.227 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000996687407 678280157 /nfs/dbraw/zinc/28/01/57/678280157.db2.gz WLQUGXKTKWNSNE-JSGCOSHPSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000996687407 678280160 /nfs/dbraw/zinc/28/01/60/678280160.db2.gz WLQUGXKTKWNSNE-JSGCOSHPSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001001488795 678936411 /nfs/dbraw/zinc/93/64/11/678936411.db2.gz AXRYBGGAWMTDHC-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC001001488795 678936412 /nfs/dbraw/zinc/93/64/12/678936412.db2.gz AXRYBGGAWMTDHC-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316636239 805973053 /nfs/dbraw/zinc/97/30/53/805973053.db2.gz XJUJBZWUOAEPRX-MGPQQGTHSA-N 2 1 306.410 -0.686 20 30 DBEDMP C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000852873581 805984183 /nfs/dbraw/zinc/98/41/83/805984183.db2.gz ZDEFBSADRXAIHT-OAHLLOKOSA-N 2 1 306.454 -0.011 20 30 DBEDMP O=C(C#CC1CC[NH2+]CC1)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000852876429 805986106 /nfs/dbraw/zinc/98/61/06/805986106.db2.gz HYIKYQDIOJLDJU-HNNXBMFYSA-N 2 1 318.421 -0.588 20 30 DBEDMP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001316961346 806045205 /nfs/dbraw/zinc/04/52/05/806045205.db2.gz GWSRFKDFPIHFMB-HNNXBMFYSA-N 2 1 307.442 -0.024 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCN(CC#N)CC2)C1 ZINC001316961346 806045214 /nfs/dbraw/zinc/04/52/14/806045214.db2.gz GWSRFKDFPIHFMB-HNNXBMFYSA-N 2 1 307.442 -0.024 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001317080158 806084369 /nfs/dbraw/zinc/08/43/69/806084369.db2.gz DBETVBBPCXFBAQ-AJNGGQMLSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001317112477 806090874 /nfs/dbraw/zinc/09/08/74/806090874.db2.gz MPIOLRMZYCSUKV-ZNMIVQPWSA-N 2 1 320.437 -0.153 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317392708 806143026 /nfs/dbraw/zinc/14/30/26/806143026.db2.gz FFYFIVLZCINAQO-ZIAGYGMSSA-N 2 1 323.441 -0.017 20 30 DBEDMP C[C@@H](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001317411247 806145943 /nfs/dbraw/zinc/14/59/43/806145943.db2.gz DCUJIDLBMKHIKF-STQMWFEESA-N 2 1 309.414 -0.548 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001317414418 806146206 /nfs/dbraw/zinc/14/62/06/806146206.db2.gz TWGCEEGCAIYMPY-LLVKDONJSA-N 2 1 306.370 -0.684 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317536804 806181057 /nfs/dbraw/zinc/18/10/57/806181057.db2.gz YMLLDFSHMWFRKW-KBPBESRZSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317536804 806181060 /nfs/dbraw/zinc/18/10/60/806181060.db2.gz YMLLDFSHMWFRKW-KBPBESRZSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317536804 806181063 /nfs/dbraw/zinc/18/10/63/806181063.db2.gz YMLLDFSHMWFRKW-KBPBESRZSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318365733 806289902 /nfs/dbraw/zinc/28/99/02/806289902.db2.gz KESQWJCJWLROIQ-ZIAGYGMSSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318365733 806289907 /nfs/dbraw/zinc/28/99/07/806289907.db2.gz KESQWJCJWLROIQ-ZIAGYGMSSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422784 806296742 /nfs/dbraw/zinc/29/67/42/806296742.db2.gz BIWUSHMVTNPSKO-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422784 806296747 /nfs/dbraw/zinc/29/67/47/806296747.db2.gz BIWUSHMVTNPSKO-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243346 806356323 /nfs/dbraw/zinc/35/63/23/806356323.db2.gz CUGFOBHRQQKHOV-OLZOCXBDSA-N 2 1 309.414 -0.690 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550316 806362942 /nfs/dbraw/zinc/36/29/42/806362942.db2.gz UICXYFGWEBUICI-BNOWGMLFSA-N 2 1 322.409 -0.066 20 30 DBEDMP C[NH2+]CCCc1[nH]nc(NC(=O)CN2CC[NH+](C)CC2)c1C#N ZINC001319759571 806407368 /nfs/dbraw/zinc/40/73/68/806407368.db2.gz ANHQXHRCRNFPEC-UHFFFAOYSA-N 2 1 319.413 -0.381 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)C(C)C ZINC001319942467 806421067 /nfs/dbraw/zinc/42/10/67/806421067.db2.gz BBYYCYSBKHTMMW-GJZGRUSLSA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001320609999 806509334 /nfs/dbraw/zinc/50/93/34/806509334.db2.gz ZBKKHJMZEFAJJC-KBPBESRZSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321249089 806594615 /nfs/dbraw/zinc/59/46/15/806594615.db2.gz HYSOVNCGVOSQKE-WSNITJDQSA-N 2 1 306.410 -0.660 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)Cn1cc[nH+]c1C ZINC001321403613 806621902 /nfs/dbraw/zinc/62/19/02/806621902.db2.gz OYNIPOCMQLTMGT-GFUIURDCSA-N 2 1 317.393 -0.409 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001321756835 806666657 /nfs/dbraw/zinc/66/66/57/806666657.db2.gz RDAMDLWYHALVOF-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001323440644 806874545 /nfs/dbraw/zinc/87/45/45/806874545.db2.gz BTWQACQFTTXERE-CHWSQXEVSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741880 807003491 /nfs/dbraw/zinc/00/34/91/807003491.db2.gz OKFRDIAWDDKMBF-BBRMVZONSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741880 807003498 /nfs/dbraw/zinc/00/34/98/807003498.db2.gz OKFRDIAWDDKMBF-BBRMVZONSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741884 807003702 /nfs/dbraw/zinc/00/37/02/807003702.db2.gz OKFRDIAWDDKMBF-XJKSGUPXSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(N)=O)C1 ZINC001324741884 807003710 /nfs/dbraw/zinc/00/37/10/807003710.db2.gz OKFRDIAWDDKMBF-XJKSGUPXSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001278039445 803745086 /nfs/dbraw/zinc/74/50/86/803745086.db2.gz PSWHNNHIPZDLED-CQSZACIVSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001278039445 803745093 /nfs/dbraw/zinc/74/50/93/803745093.db2.gz PSWHNNHIPZDLED-CQSZACIVSA-N 2 1 320.437 -0.199 20 30 DBEDMP CCc1nncn1CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000304629068 803836715 /nfs/dbraw/zinc/83/67/15/803836715.db2.gz KKMYYCWIJHECLQ-UHFFFAOYSA-N 2 1 309.418 -0.533 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001278882283 803856238 /nfs/dbraw/zinc/85/62/38/803856238.db2.gz DDSGDVBRLNGTEA-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001278882283 803856246 /nfs/dbraw/zinc/85/62/46/803856246.db2.gz DDSGDVBRLNGTEA-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001278882283 803856256 /nfs/dbraw/zinc/85/62/56/803856256.db2.gz DDSGDVBRLNGTEA-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1C[NH+](CC)CCO1 ZINC001278882283 803856262 /nfs/dbraw/zinc/85/62/62/803856262.db2.gz DDSGDVBRLNGTEA-LSDHHAIUSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOCC)C1 ZINC001280598668 803987667 /nfs/dbraw/zinc/98/76/67/803987667.db2.gz ZHWWTAUFPTVSKH-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCOCC)C1 ZINC001280598668 803987673 /nfs/dbraw/zinc/98/76/73/803987673.db2.gz ZHWWTAUFPTVSKH-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCCN(CC(=O)NCC#N)CC1 ZINC001280706460 804006691 /nfs/dbraw/zinc/00/66/91/804006691.db2.gz CYFNBTFTTJPLAO-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001280706460 804006706 /nfs/dbraw/zinc/00/67/06/804006706.db2.gz CYFNBTFTTJPLAO-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001280706460 804006714 /nfs/dbraw/zinc/00/67/14/804006714.db2.gz CYFNBTFTTJPLAO-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001280706460 804006721 /nfs/dbraw/zinc/00/67/21/804006721.db2.gz CYFNBTFTTJPLAO-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(=O)NCC#N ZINC001282392244 804272644 /nfs/dbraw/zinc/27/26/44/804272644.db2.gz YBYZAIDMTXZWSC-OCCSQVGLSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(=O)NCC#N ZINC001282392244 804272651 /nfs/dbraw/zinc/27/26/51/804272651.db2.gz YBYZAIDMTXZWSC-OCCSQVGLSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282739270 804308327 /nfs/dbraw/zinc/30/83/27/804308327.db2.gz TUHKZLBSIALOIJ-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001282739270 804308335 /nfs/dbraw/zinc/30/83/35/804308335.db2.gz TUHKZLBSIALOIJ-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000773530369 804402721 /nfs/dbraw/zinc/40/27/21/804402721.db2.gz KOZJKFFMCUIVFS-INIZCTEOSA-N 2 1 304.438 -0.162 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001283074655 804405644 /nfs/dbraw/zinc/40/56/44/804405644.db2.gz IHJATEMHPJZMGQ-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)C[N@H+](C)C1CCC1 ZINC001283074655 804405649 /nfs/dbraw/zinc/40/56/49/804405649.db2.gz IHJATEMHPJZMGQ-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)C1CCC1 ZINC001283074655 804405653 /nfs/dbraw/zinc/40/56/53/804405653.db2.gz IHJATEMHPJZMGQ-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+](C)C1CCC1 ZINC001283074655 804405655 /nfs/dbraw/zinc/40/56/55/804405655.db2.gz IHJATEMHPJZMGQ-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCC[NH2+][C@@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001283804828 804577339 /nfs/dbraw/zinc/57/73/39/804577339.db2.gz OIEHCXXCKCUYBA-UONOGXRCSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959724 804811136 /nfs/dbraw/zinc/81/11/36/804811136.db2.gz NHCRWXLBLXCBFM-AWEZNQCLSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959724 804811142 /nfs/dbraw/zinc/81/11/42/804811142.db2.gz NHCRWXLBLXCBFM-AWEZNQCLSA-N 2 1 320.437 -0.176 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001324769861 807005188 /nfs/dbraw/zinc/00/51/88/807005188.db2.gz HEYMYFLTMYBYIF-CZUORRHYSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000890371365 807215792 /nfs/dbraw/zinc/21/57/92/807215792.db2.gz UBRPUXNVDISBAS-AWEZNQCLSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000890371365 807215800 /nfs/dbraw/zinc/21/58/00/807215800.db2.gz UBRPUXNVDISBAS-AWEZNQCLSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001327944778 807360882 /nfs/dbraw/zinc/36/08/82/807360882.db2.gz TUIGAPBOIILCPJ-GXTWGEPZSA-N 2 1 317.393 -0.623 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001327971202 807363220 /nfs/dbraw/zinc/36/32/20/807363220.db2.gz ZMLGMIBIIWWPGE-CQSZACIVSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001328268459 807402995 /nfs/dbraw/zinc/40/29/95/807402995.db2.gz UNKOMYUWDVLFPF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001328268459 807402997 /nfs/dbraw/zinc/40/29/97/807402997.db2.gz UNKOMYUWDVLFPF-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734074 807405026 /nfs/dbraw/zinc/40/50/26/807405026.db2.gz UQBXFKSXMKHTQA-WBVHZDCISA-N 2 1 322.453 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nncn1C ZINC001328353579 807415581 /nfs/dbraw/zinc/41/55/81/807415581.db2.gz CYQGGJHWGDAMNB-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nncn1C ZINC001328353579 807415584 /nfs/dbraw/zinc/41/55/84/807415584.db2.gz CYQGGJHWGDAMNB-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@H+]2C)CC1 ZINC000930010907 807859179 /nfs/dbraw/zinc/85/91/79/807859179.db2.gz WNEHMCLKIIVARU-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000930010907 807859189 /nfs/dbraw/zinc/85/91/89/807859189.db2.gz WNEHMCLKIIVARU-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000930010906 807859318 /nfs/dbraw/zinc/85/93/18/807859318.db2.gz WNEHMCLKIIVARU-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=C(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000930010906 807859326 /nfs/dbraw/zinc/85/93/26/807859326.db2.gz WNEHMCLKIIVARU-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001332112733 807872441 /nfs/dbraw/zinc/87/24/41/807872441.db2.gz QWHIQTSOFBQTCC-PBHICJAKSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC001332676822 807965648 /nfs/dbraw/zinc/96/56/48/807965648.db2.gz FHZOEAKLJVVTHI-HUUCEWRRSA-N 2 1 313.442 -0.108 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C ZINC001332839348 807986049 /nfs/dbraw/zinc/98/60/49/807986049.db2.gz WJTJQNXMCZBCRV-OLZOCXBDSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598595 809973941 /nfs/dbraw/zinc/97/39/41/809973941.db2.gz KLGMRZDNSZCIQH-SWLSCSKDSA-N 2 1 302.378 -0.197 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCCO)C[C@H]2O)CC1 ZINC000958724873 810012912 /nfs/dbraw/zinc/01/29/12/810012912.db2.gz USICKYGSEDQUAZ-HZPDHXFCSA-N 2 1 323.437 -0.877 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC[NH+](CC#C)CC2)C1 ZINC000958723909 810013031 /nfs/dbraw/zinc/01/30/31/810013031.db2.gz KJECISJKJPXNJG-IRXDYDNUSA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CCOC)C[C@H]2O)CC1 ZINC000958724366 810013380 /nfs/dbraw/zinc/01/33/80/810013380.db2.gz OCYYJYSRJHNQBW-JKSUJKDBSA-N 2 1 323.437 -0.613 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC000968954997 811520470 /nfs/dbraw/zinc/52/04/70/811520470.db2.gz ZLDCRLKXXFCUCR-MCIONIFRSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016336914 813653248 /nfs/dbraw/zinc/65/32/48/813653248.db2.gz OKNWKXHSUNUUEB-GJZGRUSLSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001016336914 813653252 /nfs/dbraw/zinc/65/32/52/813653252.db2.gz OKNWKXHSUNUUEB-GJZGRUSLSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001018984967 814038419 /nfs/dbraw/zinc/03/84/19/814038419.db2.gz HHXCDSIRUMRVQK-KKUMJFAQSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001018984967 814038426 /nfs/dbraw/zinc/03/84/26/814038426.db2.gz HHXCDSIRUMRVQK-KKUMJFAQSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@@H+](CC(N)=O)C2)CC1 ZINC001034537835 814698445 /nfs/dbraw/zinc/69/84/45/814698445.db2.gz FJJMZFCOOAZXSF-OAHLLOKOSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC(N)=O)C2)CC1 ZINC001034537835 814698451 /nfs/dbraw/zinc/69/84/51/814698451.db2.gz FJJMZFCOOAZXSF-OAHLLOKOSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001046076261 816752047 /nfs/dbraw/zinc/75/20/47/816752047.db2.gz LGFTYWNWHKFFSK-MRXNPFEDSA-N 2 1 316.449 -0.066 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@@H+](CC(=O)NC)C2)CC1 ZINC001046849942 816960892 /nfs/dbraw/zinc/96/08/92/816960892.db2.gz MNEKGUSKHCVWFJ-QGZVFWFLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@]2(C)CC[N@H+](CC(=O)NC)C2)CC1 ZINC001046849942 816960895 /nfs/dbraw/zinc/96/08/95/816960895.db2.gz MNEKGUSKHCVWFJ-QGZVFWFLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296184 818099451 /nfs/dbraw/zinc/09/94/51/818099451.db2.gz OBYFFZGGRRSUKY-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001054296184 818099457 /nfs/dbraw/zinc/09/94/57/818099457.db2.gz OBYFFZGGRRSUKY-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(C)=O)CC1 ZINC001055486921 818245233 /nfs/dbraw/zinc/24/52/33/818245233.db2.gz PAEUALIZYYHPSH-INIZCTEOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCNC(C)=O)CC1 ZINC001055486921 818245239 /nfs/dbraw/zinc/24/52/39/818245239.db2.gz PAEUALIZYYHPSH-INIZCTEOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2c[nH+]cc2C)C[C@@H]1n1ccnn1 ZINC001070234780 820433548 /nfs/dbraw/zinc/43/35/48/820433548.db2.gz HLGSJDXLAUUIDZ-KGLIPLIRSA-N 2 1 313.365 -0.542 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001070326874 820445187 /nfs/dbraw/zinc/44/51/87/820445187.db2.gz GZIMRJSVSOVJLS-MJBXVCDLSA-N 2 1 304.398 -0.243 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660354 821200466 /nfs/dbraw/zinc/20/04/66/821200466.db2.gz BMPYQXSKVHYKPT-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660354 821200471 /nfs/dbraw/zinc/20/04/71/821200471.db2.gz BMPYQXSKVHYKPT-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660354 821200475 /nfs/dbraw/zinc/20/04/75/821200475.db2.gz BMPYQXSKVHYKPT-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660354 821200483 /nfs/dbraw/zinc/20/04/83/821200483.db2.gz BMPYQXSKVHYKPT-BZUAXINKSA-N 2 1 323.437 -0.064 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@@H+]1C ZINC001114298046 828672546 /nfs/dbraw/zinc/67/25/46/828672546.db2.gz BIWMKFTYADBVNI-NTASLKFISA-N 2 1 319.409 -0.987 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)CC[N@H+]1C ZINC001114298046 828672551 /nfs/dbraw/zinc/67/25/51/828672551.db2.gz BIWMKFTYADBVNI-NTASLKFISA-N 2 1 319.409 -0.987 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114298046 828672554 /nfs/dbraw/zinc/67/25/54/828672554.db2.gz BIWMKFTYADBVNI-NTASLKFISA-N 2 1 319.409 -0.987 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC[NH+]1C ZINC001114298046 828672558 /nfs/dbraw/zinc/67/25/58/828672558.db2.gz BIWMKFTYADBVNI-NTASLKFISA-N 2 1 319.409 -0.987 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@@H+](C)CC ZINC001114488363 828700977 /nfs/dbraw/zinc/70/09/77/828700977.db2.gz LXJIMNXVYWXKCO-NHAGDIPZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[N@H+](C)CC ZINC001114488363 828700981 /nfs/dbraw/zinc/70/09/81/828700981.db2.gz LXJIMNXVYWXKCO-NHAGDIPZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488363 828700984 /nfs/dbraw/zinc/70/09/84/828700984.db2.gz LXJIMNXVYWXKCO-NHAGDIPZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)CC ZINC001114488363 828700990 /nfs/dbraw/zinc/70/09/90/828700990.db2.gz LXJIMNXVYWXKCO-NHAGDIPZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@@H+](CCO)[C@H]2C1 ZINC001084961286 824992183 /nfs/dbraw/zinc/99/21/83/824992183.db2.gz YZPLXFFKFRITCH-PMPSAXMXSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[N@H+](CCO)[C@H]2C1 ZINC001084961286 824992184 /nfs/dbraw/zinc/99/21/84/824992184.db2.gz YZPLXFFKFRITCH-PMPSAXMXSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084961286 824992187 /nfs/dbraw/zinc/99/21/87/824992187.db2.gz YZPLXFFKFRITCH-PMPSAXMXSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[NH+](CCO)[C@H]2C1 ZINC001084961286 824992189 /nfs/dbraw/zinc/99/21/89/824992189.db2.gz YZPLXFFKFRITCH-PMPSAXMXSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114745672 828735776 /nfs/dbraw/zinc/73/57/76/828735776.db2.gz DCIGIANESZTIIL-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114773800 828741143 /nfs/dbraw/zinc/74/11/43/828741143.db2.gz CGGOQINKBOCLAA-FOLVSLTJSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001114773800 828741145 /nfs/dbraw/zinc/74/11/45/828741145.db2.gz CGGOQINKBOCLAA-FOLVSLTJSA-N 2 1 320.437 -0.323 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086390433 825248437 /nfs/dbraw/zinc/24/84/37/825248437.db2.gz UFJKYKOEUUWWHV-TUVASFSCSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC001086390433 825248445 /nfs/dbraw/zinc/24/84/45/825248445.db2.gz UFJKYKOEUUWWHV-TUVASFSCSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086432426 825257520 /nfs/dbraw/zinc/25/75/20/825257520.db2.gz VHLNUKQIBSTLBN-MLURZJSDSA-N 2 1 303.406 -0.033 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)[C@@H]2CC)CC1 ZINC001087840048 825366487 /nfs/dbraw/zinc/36/64/87/825366487.db2.gz FBJCQWINKRCGSV-LSDHHAIUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)[C@@H]2CC)CC1 ZINC001087840048 825366495 /nfs/dbraw/zinc/36/64/95/825366495.db2.gz FBJCQWINKRCGSV-LSDHHAIUSA-N 2 1 320.437 -0.214 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115074345 828783637 /nfs/dbraw/zinc/78/36/37/828783637.db2.gz KELQMCNUXRABRB-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115074345 828783640 /nfs/dbraw/zinc/78/36/40/828783640.db2.gz KELQMCNUXRABRB-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115074345 828783646 /nfs/dbraw/zinc/78/36/46/828783646.db2.gz KELQMCNUXRABRB-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115074345 828783648 /nfs/dbraw/zinc/78/36/48/828783648.db2.gz KELQMCNUXRABRB-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126265 828790393 /nfs/dbraw/zinc/79/03/93/828790393.db2.gz LHNKPRZBOGRCDD-FOLVSLTJSA-N 2 1 309.410 -0.739 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090271462 825616931 /nfs/dbraw/zinc/61/69/31/825616931.db2.gz IODIIQJPHLCALF-HIFRSBDPSA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCCC1 ZINC001115243519 828814316 /nfs/dbraw/zinc/81/43/16/828814316.db2.gz PHBFJUIMUNKQNJ-TTZDDIAXSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090637266 825772786 /nfs/dbraw/zinc/77/27/86/825772786.db2.gz JGGJIMUQBPVFPE-CABCVRRESA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001090637266 825772787 /nfs/dbraw/zinc/77/27/87/825772787.db2.gz JGGJIMUQBPVFPE-CABCVRRESA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C(C)(C)[N@H+](C)CC ZINC001161226604 832991880 /nfs/dbraw/zinc/99/18/80/832991880.db2.gz KUICXRWPYXOCFE-CYBMUJFWSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)c1cc(C[NH+](C)C)on1 ZINC001161551368 833034190 /nfs/dbraw/zinc/03/41/90/833034190.db2.gz DLHOQWXUUFMCAT-UHFFFAOYSA-N 2 1 321.381 -0.805 20 30 DBEDMP CC(C)C[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001161649815 833044999 /nfs/dbraw/zinc/04/49/99/833044999.db2.gz XPKDWLNWIWXACF-AWEZNQCLSA-N 2 1 323.441 -0.158 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)C1 ZINC001274371583 833069726 /nfs/dbraw/zinc/06/97/26/833069726.db2.gz XTGCGXYYQZMZCJ-IBUXWKBASA-N 2 1 307.398 -0.770 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001274398233 833071746 /nfs/dbraw/zinc/07/17/46/833071746.db2.gz GWOOESMDNFMCEY-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@H]2[C@H]1CCC(=O)N2CC[NH+](C)C ZINC001274553780 833095662 /nfs/dbraw/zinc/09/56/62/833095662.db2.gz ALPWKWUTOYRQQI-ARFHVFGLSA-N 2 1 323.437 -0.376 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973330 826752005 /nfs/dbraw/zinc/75/20/05/826752005.db2.gz BEKZGTPMCGEYCH-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973330 826752007 /nfs/dbraw/zinc/75/20/07/826752007.db2.gz BEKZGTPMCGEYCH-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP C#CCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100055981 826800746 /nfs/dbraw/zinc/80/07/46/826800746.db2.gz MLNFNRDHSRFGGJ-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074421 826825233 /nfs/dbraw/zinc/82/52/33/826825233.db2.gz NHAYENJLWRTISJ-HUUCEWRRSA-N 2 1 321.421 -0.717 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074421 826825239 /nfs/dbraw/zinc/82/52/39/826825239.db2.gz NHAYENJLWRTISJ-HUUCEWRRSA-N 2 1 321.421 -0.717 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](O)C1 ZINC001100109481 826861435 /nfs/dbraw/zinc/86/14/35/826861435.db2.gz GEGLRCYVTOJMSH-GJZGRUSLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001100186043 826905491 /nfs/dbraw/zinc/90/54/91/826905491.db2.gz XJUJBZWUOAEPRX-RUXDESIVSA-N 2 1 306.410 -0.686 20 30 DBEDMP C[N@@H+](CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001100411003 826959791 /nfs/dbraw/zinc/95/97/91/826959791.db2.gz ZJTJOFUHFGSBDY-UHFFFAOYSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001100410636 826959845 /nfs/dbraw/zinc/95/98/45/826959845.db2.gz GJVLTEYSUKCQPH-UHFFFAOYSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100447199 826966912 /nfs/dbraw/zinc/96/69/12/826966912.db2.gz SEBVZFCLAWXZKR-JXQTWKCFSA-N 2 1 321.425 -0.405 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100509785 826977349 /nfs/dbraw/zinc/97/73/49/826977349.db2.gz YSWYQMHJZHUVOD-UHFFFAOYSA-N 2 1 318.381 -0.684 20 30 DBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001274941498 833142150 /nfs/dbraw/zinc/14/21/50/833142150.db2.gz MUPNHLMSEIVNPB-OAHLLOKOSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CCC(CO)(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001274941498 833142153 /nfs/dbraw/zinc/14/21/53/833142153.db2.gz MUPNHLMSEIVNPB-OAHLLOKOSA-N 2 1 323.437 -0.469 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001275094105 833150764 /nfs/dbraw/zinc/15/07/64/833150764.db2.gz LVDBVUGPFCBNTN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001275094105 833150767 /nfs/dbraw/zinc/15/07/67/833150767.db2.gz LVDBVUGPFCBNTN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001275094105 833150772 /nfs/dbraw/zinc/15/07/72/833150772.db2.gz LVDBVUGPFCBNTN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001275094105 833150775 /nfs/dbraw/zinc/15/07/75/833150775.db2.gz LVDBVUGPFCBNTN-UONOGXRCSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001101819446 827152335 /nfs/dbraw/zinc/15/23/35/827152335.db2.gz IIANUYZQAMICMS-MCIONIFRSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001101819446 827152340 /nfs/dbraw/zinc/15/23/40/827152340.db2.gz IIANUYZQAMICMS-MCIONIFRSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001101819446 827152349 /nfs/dbraw/zinc/15/23/49/827152349.db2.gz IIANUYZQAMICMS-MCIONIFRSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001102318636 827198097 /nfs/dbraw/zinc/19/80/97/827198097.db2.gz CAXYJDCYZOVEGQ-ZIAGYGMSSA-N 2 1 308.426 -0.628 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC)C1 ZINC001275242838 833162983 /nfs/dbraw/zinc/16/29/83/833162983.db2.gz GIPFXYBSUKXHRM-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CC(=O)NCC)C1 ZINC001275242838 833162985 /nfs/dbraw/zinc/16/29/85/833162985.db2.gz GIPFXYBSUKXHRM-NRXISQOPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001275305703 833169602 /nfs/dbraw/zinc/16/96/02/833169602.db2.gz XIABGPUTYPJAKY-NFOMZHRRSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@@H+](CC(N)=O)C[C@H]1C ZINC001103099145 827265665 /nfs/dbraw/zinc/26/56/65/827265665.db2.gz BVMJPSWOWVRMBP-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1C[N@H+](CC(N)=O)C[C@H]1C ZINC001103099145 827265672 /nfs/dbraw/zinc/26/56/72/827265672.db2.gz BVMJPSWOWVRMBP-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103099145 827265676 /nfs/dbraw/zinc/26/56/76/827265676.db2.gz BVMJPSWOWVRMBP-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1C[NH+](CC(N)=O)C[C@H]1C ZINC001103099145 827265681 /nfs/dbraw/zinc/26/56/81/827265681.db2.gz BVMJPSWOWVRMBP-KFWWJZLASA-N 2 1 320.437 -0.357 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974099 827577440 /nfs/dbraw/zinc/57/74/40/827577440.db2.gz OCFBRTHGGRBOLI-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974099 827577444 /nfs/dbraw/zinc/57/74/44/827577444.db2.gz OCFBRTHGGRBOLI-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106840290 827681816 /nfs/dbraw/zinc/68/18/16/827681816.db2.gz GGAAWOWBRGFNLU-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)N(C)CC(=O)NCC#N ZINC001276012133 833234946 /nfs/dbraw/zinc/23/49/46/833234946.db2.gz PMMDHWBLNZFALI-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC001166744444 833280672 /nfs/dbraw/zinc/28/06/72/833280672.db2.gz XINUYZBYDDBPBS-UHFFFAOYSA-N 2 1 310.442 -0.190 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168030384 833316056 /nfs/dbraw/zinc/31/60/56/833316056.db2.gz NVHZCMTVHCTIBJ-GJZGRUSLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001168137461 833318226 /nfs/dbraw/zinc/31/82/26/833318226.db2.gz OAZWFLBRHVRNCD-CYBMUJFWSA-N 2 1 321.425 -0.546 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001168137526 833318319 /nfs/dbraw/zinc/31/83/19/833318319.db2.gz OOQCMEQKGJYYOW-CQSZACIVSA-N 2 1 320.437 -0.436 20 30 DBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563944 833408917 /nfs/dbraw/zinc/40/89/17/833408917.db2.gz IJOVFDRBBSTLLT-KGLIPLIRSA-N 2 1 323.441 -0.158 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563952 833409013 /nfs/dbraw/zinc/40/90/13/833409013.db2.gz IMIPBZWQQUQPCZ-LSDHHAIUSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C[C@@H](O)COC)C1 ZINC001276390071 833423486 /nfs/dbraw/zinc/42/34/86/833423486.db2.gz WNYVUXIEKXZBPB-BMFZPTHFSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001124052872 829700608 /nfs/dbraw/zinc/70/06/08/829700608.db2.gz ICYINQBSQKNZQR-INIZCTEOSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N2CC[NH+](CC)CC2)C1 ZINC001124052872 829700615 /nfs/dbraw/zinc/70/06/15/829700615.db2.gz ICYINQBSQKNZQR-INIZCTEOSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC)C1CC1 ZINC001276603635 833442953 /nfs/dbraw/zinc/44/29/53/833442953.db2.gz PUJJUJQPWWQCLO-GJZGRUSLSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC)C1CC1 ZINC001276603635 833442957 /nfs/dbraw/zinc/44/29/57/833442957.db2.gz PUJJUJQPWWQCLO-GJZGRUSLSA-N 2 1 320.437 -0.296 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125227761 829849017 /nfs/dbraw/zinc/84/90/17/829849017.db2.gz YUYHOLBLOQJWDX-AWEZNQCLSA-N 2 1 324.425 -0.777 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125227761 829849024 /nfs/dbraw/zinc/84/90/24/829849024.db2.gz YUYHOLBLOQJWDX-AWEZNQCLSA-N 2 1 324.425 -0.777 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001179983112 833565679 /nfs/dbraw/zinc/56/56/79/833565679.db2.gz LKKHWGPBFPCRFP-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129385303 830176428 /nfs/dbraw/zinc/17/64/28/830176428.db2.gz CYBGRJMVBLLJJL-AWEZNQCLSA-N 2 1 309.414 -0.278 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001129770526 830208746 /nfs/dbraw/zinc/20/87/46/830208746.db2.gz HEXAFJOMGDSTMI-ZDUSSCGKSA-N 2 1 315.439 -0.776 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCS(C)(=O)=O ZINC001129770526 830208755 /nfs/dbraw/zinc/20/87/55/830208755.db2.gz HEXAFJOMGDSTMI-ZDUSSCGKSA-N 2 1 315.439 -0.776 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001129775305 830210138 /nfs/dbraw/zinc/21/01/38/830210138.db2.gz LYLYABBOOCAPIV-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC1CCC1 ZINC001129775305 830210145 /nfs/dbraw/zinc/21/01/45/830210145.db2.gz LYLYABBOOCAPIV-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC=C ZINC001129790735 830211035 /nfs/dbraw/zinc/21/10/35/830211035.db2.gz HBFXRAGZVRYPNO-KGLIPLIRSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCC=C ZINC001129790735 830211043 /nfs/dbraw/zinc/21/10/43/830211043.db2.gz HBFXRAGZVRYPNO-KGLIPLIRSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001129790601 830211165 /nfs/dbraw/zinc/21/11/65/830211165.db2.gz CYLWJGWBMIVTBU-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)Cn1cccn1 ZINC001129790601 830211171 /nfs/dbraw/zinc/21/11/71/830211171.db2.gz CYLWJGWBMIVTBU-GJZGRUSLSA-N 2 1 319.409 -0.953 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107167 830264241 /nfs/dbraw/zinc/26/42/41/830264241.db2.gz HCRMVCFTRPYXSM-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001130187504 830277158 /nfs/dbraw/zinc/27/71/58/830277158.db2.gz WTNUAYVTHBTBMR-KGLIPLIRSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130708667 830368635 /nfs/dbraw/zinc/36/86/35/830368635.db2.gz CVQHXAYEENJYPY-LSDHHAIUSA-N 2 1 322.453 -0.050 20 30 DBEDMP C=CCOCC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519967 830479455 /nfs/dbraw/zinc/47/94/55/830479455.db2.gz PFGVTJQNXOSGKC-NPCAHTBFSA-N 2 1 309.410 -0.242 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001132739573 830689109 /nfs/dbraw/zinc/68/91/09/830689109.db2.gz SFSCLANGWOQEQY-LSDHHAIUSA-N 2 1 322.453 -0.048 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@@H+]2CCC[C@H]2C)C1=O ZINC001133824038 830832276 /nfs/dbraw/zinc/83/22/76/830832276.db2.gz WJWXKCVNWSKRML-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001133865267 830841175 /nfs/dbraw/zinc/84/11/75/830841175.db2.gz BPODUBDOIBRWHP-ZDUSSCGKSA-N 2 1 317.393 -0.791 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001135029641 831001142 /nfs/dbraw/zinc/00/11/42/831001142.db2.gz PUSJHBZIGAXRBQ-RYUDHWBXSA-N 2 1 320.397 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)CCCn1cc[nH+]c1C ZINC001135305418 831049174 /nfs/dbraw/zinc/04/91/74/831049174.db2.gz VCFCNZUOAYZONX-ZDUSSCGKSA-N 2 1 319.409 -0.185 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001135352588 831059887 /nfs/dbraw/zinc/05/98/87/831059887.db2.gz JCTPRXMQSKNKBY-CQSZACIVSA-N 2 1 324.425 -0.799 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CC[N@H+](C)CC ZINC001135858505 831130679 /nfs/dbraw/zinc/13/06/79/831130679.db2.gz YVHYTLGLMRDYRX-UONOGXRCSA-N 2 1 310.442 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148747944 831473138 /nfs/dbraw/zinc/47/31/38/831473138.db2.gz FIYIUENEWOALSF-CQSZACIVSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148747944 831473143 /nfs/dbraw/zinc/47/31/43/831473143.db2.gz FIYIUENEWOALSF-CQSZACIVSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148747944 831473145 /nfs/dbraw/zinc/47/31/45/831473145.db2.gz FIYIUENEWOALSF-CQSZACIVSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148747944 831473150 /nfs/dbraw/zinc/47/31/50/831473150.db2.gz FIYIUENEWOALSF-CQSZACIVSA-N 2 1 318.421 -0.778 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150462252 831620702 /nfs/dbraw/zinc/62/07/02/831620702.db2.gz SYUZSZBZJFWVBH-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150462252 831620705 /nfs/dbraw/zinc/62/07/05/831620705.db2.gz SYUZSZBZJFWVBH-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001151065850 831661963 /nfs/dbraw/zinc/66/19/63/831661963.db2.gz NRIBDXUZOJPNLZ-CQSZACIVSA-N 2 1 308.426 -0.156 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC001151740927 831706404 /nfs/dbraw/zinc/70/64/04/831706404.db2.gz ZOFOBNUVTJYRSI-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC001151740927 831706410 /nfs/dbraw/zinc/70/64/10/831706410.db2.gz ZOFOBNUVTJYRSI-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001152324462 831741110 /nfs/dbraw/zinc/74/11/10/831741110.db2.gz WBJRJTBFNOAFSK-LBPRGKRZSA-N 2 1 319.413 -0.678 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnn(C)n2)CC1 ZINC001152329850 831741345 /nfs/dbraw/zinc/74/13/45/831741345.db2.gz CENVJARIOKCDKI-UHFFFAOYSA-N 2 1 304.398 -0.634 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nncn2C)CC1 ZINC001152334538 831742056 /nfs/dbraw/zinc/74/20/56/831742056.db2.gz GPSZEYWLRFNKTA-UHFFFAOYSA-N 2 1 304.398 -0.634 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001152458621 831752688 /nfs/dbraw/zinc/75/26/88/831752688.db2.gz RRZIALYABGTWGT-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226872 831922346 /nfs/dbraw/zinc/92/23/46/831922346.db2.gz PVZHNVDSFFFZFB-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CCC[C@H]1C ZINC001155226872 831922349 /nfs/dbraw/zinc/92/23/49/831922349.db2.gz PVZHNVDSFFFZFB-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+]1CCC[C@H]1C ZINC001155226872 831922351 /nfs/dbraw/zinc/92/23/51/831922351.db2.gz PVZHNVDSFFFZFB-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+]1CCC[C@H]1C ZINC001155226872 831922353 /nfs/dbraw/zinc/92/23/53/831922353.db2.gz PVZHNVDSFFFZFB-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NCC#N ZINC001155900550 831958725 /nfs/dbraw/zinc/95/87/25/831958725.db2.gz YFGSPZOTPQRRDI-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP CC[NH+](CC)CC(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NCC#N ZINC001155900550 831958728 /nfs/dbraw/zinc/95/87/28/831958728.db2.gz YFGSPZOTPQRRDI-CYBMUJFWSA-N 2 1 311.430 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039273 832085329 /nfs/dbraw/zinc/08/53/29/832085329.db2.gz RWSTZUOQJPCCNY-LSDHHAIUSA-N 2 1 320.437 -0.294 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158487039 832117942 /nfs/dbraw/zinc/11/79/42/832117942.db2.gz VISQRRUPBHHTPO-LSDHHAIUSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC001269415847 832430413 /nfs/dbraw/zinc/43/04/13/832430413.db2.gz LUPUOSAROUUTNG-CHWSQXEVSA-N 2 1 306.410 -0.686 20 30 DBEDMP CC[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492865 832442221 /nfs/dbraw/zinc/44/22/21/832442221.db2.gz PYEODBYCIFGVHX-QWHCGFSZSA-N 2 1 309.414 -0.548 20 30 DBEDMP CC(C)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001271901165 832714611 /nfs/dbraw/zinc/71/46/11/832714611.db2.gz MHXSHHZJYMOPMO-UONOGXRCSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272914736 832852720 /nfs/dbraw/zinc/85/27/20/832852720.db2.gz QSKCNDVDIMCJMU-OCCSQVGLSA-N 2 1 319.409 -0.186 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159924543 832859581 /nfs/dbraw/zinc/85/95/81/832859581.db2.gz LFSTTYSZIKMLGG-LBPRGKRZSA-N 2 1 318.381 -0.504 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001160198175 832882784 /nfs/dbraw/zinc/88/27/84/832882784.db2.gz VTEONETVWCTWGD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H]1CCCN(C)C1=O ZINC001160198175 832882794 /nfs/dbraw/zinc/88/27/94/832882794.db2.gz VTEONETVWCTWGD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001160198084 832883646 /nfs/dbraw/zinc/88/36/46/832883646.db2.gz QTPLQMMLFQEQMQ-ZDUSSCGKSA-N 2 1 315.439 -0.776 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCS(C)(=O)=O ZINC001160198084 832883656 /nfs/dbraw/zinc/88/36/56/832883656.db2.gz QTPLQMMLFQEQMQ-ZDUSSCGKSA-N 2 1 315.439 -0.776 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001160198174 832883751 /nfs/dbraw/zinc/88/37/51/832883751.db2.gz VTEONETVWCTWGD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCN(C)C1=O ZINC001160198174 832883766 /nfs/dbraw/zinc/88/37/66/832883766.db2.gz VTEONETVWCTWGD-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001160209571 832885676 /nfs/dbraw/zinc/88/56/76/832885676.db2.gz QYVXDPGVJFXQQL-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H](C)C(=O)N(C)C ZINC001160209571 832885685 /nfs/dbraw/zinc/88/56/85/832885685.db2.gz QYVXDPGVJFXQQL-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCO1 ZINC001273333900 832913256 /nfs/dbraw/zinc/91/32/56/832913256.db2.gz ZRECAWYZMNZXGG-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160867971 832955046 /nfs/dbraw/zinc/95/50/46/832955046.db2.gz JCNIBEPRDAZFPW-ZIAGYGMSSA-N 2 1 321.425 -0.261 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001273771942 832962499 /nfs/dbraw/zinc/96/24/99/832962499.db2.gz NYKZBOKAWCIINU-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)[C@H]1C ZINC001178902302 833528140 /nfs/dbraw/zinc/52/81/40/833528140.db2.gz KEOSYPGTPNITDA-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)[C@H]1C ZINC001179336868 833543610 /nfs/dbraw/zinc/54/36/10/833543610.db2.gz DPPNENFMQTZNAM-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001180124714 833570618 /nfs/dbraw/zinc/57/06/18/833570618.db2.gz OPFYGLGPZYVWCG-MJBXVCDLSA-N 2 1 306.410 -0.734 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001182677009 833686688 /nfs/dbraw/zinc/68/66/88/833686688.db2.gz VNGQUUJTOAGMRK-JHJVBQTASA-N 2 1 307.398 -0.843 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001182693517 833687113 /nfs/dbraw/zinc/68/71/13/833687113.db2.gz VNCYNZRRULSKKR-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001183354132 833714695 /nfs/dbraw/zinc/71/46/95/833714695.db2.gz REBGZRJDXUOZRY-ILXRZTDVSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001183354132 833714697 /nfs/dbraw/zinc/71/46/97/833714697.db2.gz REBGZRJDXUOZRY-ILXRZTDVSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001184877607 833773985 /nfs/dbraw/zinc/77/39/85/833773985.db2.gz VGAOBDQGZJIPBX-MGPQQGTHSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CCNC(=O)[C@H](C)N1CC[C@@H]1CNC(=O)C[N@H+](C)C(C)C ZINC001276976512 833915708 /nfs/dbraw/zinc/91/57/08/833915708.db2.gz CFSFVHBMEBXNJH-UONOGXRCSA-N 2 1 308.426 -0.345 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277265310 833937624 /nfs/dbraw/zinc/93/76/24/833937624.db2.gz XUENMNIXGBOKHG-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001188139267 833970240 /nfs/dbraw/zinc/97/02/40/833970240.db2.gz KBPZQHFSPKKNAW-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)[C@@H]2C1 ZINC001190147852 834142170 /nfs/dbraw/zinc/14/21/70/834142170.db2.gz ACJLSSSQDGIALR-SOUVJXGZSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)[C@@H]2C1 ZINC001190147852 834142177 /nfs/dbraw/zinc/14/21/77/834142177.db2.gz ACJLSSSQDGIALR-SOUVJXGZSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147852 834142180 /nfs/dbraw/zinc/14/21/80/834142180.db2.gz ACJLSSSQDGIALR-SOUVJXGZSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)[C@@H]2C1 ZINC001190147852 834142187 /nfs/dbraw/zinc/14/21/87/834142187.db2.gz ACJLSSSQDGIALR-SOUVJXGZSA-N 2 1 318.421 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643321 834176036 /nfs/dbraw/zinc/17/60/36/834176036.db2.gz ATAMFRKLAYIMFZ-CQSZACIVSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643321 834176041 /nfs/dbraw/zinc/17/60/41/834176041.db2.gz ATAMFRKLAYIMFZ-CQSZACIVSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192135144 834333575 /nfs/dbraw/zinc/33/35/75/834333575.db2.gz QFFZJVRGHKCWFR-CQSZACIVSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001192135144 834333583 /nfs/dbraw/zinc/33/35/83/834333583.db2.gz QFFZJVRGHKCWFR-CQSZACIVSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001192343230 834360994 /nfs/dbraw/zinc/36/09/94/834360994.db2.gz NRJJKITWQQDZFC-LSDHHAIUSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001192343230 834361005 /nfs/dbraw/zinc/36/10/05/834361005.db2.gz NRJJKITWQQDZFC-LSDHHAIUSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343230 834361021 /nfs/dbraw/zinc/36/10/21/834361021.db2.gz NRJJKITWQQDZFC-LSDHHAIUSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCC[C@@H]2C)C1 ZINC001192343230 834361029 /nfs/dbraw/zinc/36/10/29/834361029.db2.gz NRJJKITWQQDZFC-LSDHHAIUSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001192355282 834362088 /nfs/dbraw/zinc/36/20/88/834362088.db2.gz QNXPXFKOICVCLO-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001192355282 834362100 /nfs/dbraw/zinc/36/21/00/834362100.db2.gz QNXPXFKOICVCLO-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355282 834362112 /nfs/dbraw/zinc/36/21/12/834362112.db2.gz QNXPXFKOICVCLO-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001192355282 834362120 /nfs/dbraw/zinc/36/21/20/834362120.db2.gz QNXPXFKOICVCLO-CABCVRRESA-N 2 1 320.437 -0.390 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCCNS(=O)(=O)[C@H]1CC[NH2+]C1 ZINC001238670577 834363165 /nfs/dbraw/zinc/36/31/65/834363165.db2.gz JWDZXKCGVKJGHL-RYUDHWBXSA-N 2 1 319.427 -0.506 20 30 DBEDMP CC[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192385820 834367316 /nfs/dbraw/zinc/36/73/16/834367316.db2.gz KYMUONUJILQXEK-STQMWFEESA-N 2 1 309.414 -0.501 20 30 DBEDMP CC[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001192385820 834367327 /nfs/dbraw/zinc/36/73/27/834367327.db2.gz KYMUONUJILQXEK-STQMWFEESA-N 2 1 309.414 -0.501 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947771 834445933 /nfs/dbraw/zinc/44/59/33/834445933.db2.gz MQUNIZNPMLAARK-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001193024440 834455390 /nfs/dbraw/zinc/45/53/90/834455390.db2.gz XWXOUJRPIHDHGM-ARFHVFGLSA-N 2 1 323.437 -0.308 20 30 DBEDMP C[NH+](C)CCNC(S)/[NH+]=C/COCCOCCOCCO ZINC001249850085 834478335 /nfs/dbraw/zinc/47/83/35/834478335.db2.gz YTMINUBJFYKIKF-UHFFFAOYSA-N 2 1 322.451 -0.373 20 30 DBEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)COCC[NH+](C)C)C1 ZINC001193489481 834502447 /nfs/dbraw/zinc/50/24/47/834502447.db2.gz XKACLCKIJBOYBC-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193571644 834509272 /nfs/dbraw/zinc/50/92/72/834509272.db2.gz UHZXYMPQPLOUQF-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[NH+](C)CCCCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193571644 834509277 /nfs/dbraw/zinc/50/92/77/834509277.db2.gz UHZXYMPQPLOUQF-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)[C@@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193640872 834517922 /nfs/dbraw/zinc/51/79/22/834517922.db2.gz FZCORHRKVHOUBM-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640872 834517924 /nfs/dbraw/zinc/51/79/24/834517924.db2.gz FZCORHRKVHOUBM-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193640872 834517929 /nfs/dbraw/zinc/51/79/29/834517929.db2.gz FZCORHRKVHOUBM-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)C1 ZINC001196306435 834777198 /nfs/dbraw/zinc/77/71/98/834777198.db2.gz BVGOZDZRGHWJOJ-ARFHVFGLSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940500 834819184 /nfs/dbraw/zinc/81/91/84/834819184.db2.gz VJIPDYFHYPHPRB-HZPDHXFCSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001196940500 834819195 /nfs/dbraw/zinc/81/91/95/834819195.db2.gz VJIPDYFHYPHPRB-HZPDHXFCSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028835 834827414 /nfs/dbraw/zinc/82/74/14/834827414.db2.gz KAZULQLUOGEMHH-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)CC[NH+](C)C)CC1 ZINC001197028835 834827423 /nfs/dbraw/zinc/82/74/23/834827423.db2.gz KAZULQLUOGEMHH-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001264408652 835028392 /nfs/dbraw/zinc/02/83/92/835028392.db2.gz PMOJPZKVPMPMBK-KFWWJZLASA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001264424884 835029930 /nfs/dbraw/zinc/02/99/30/835029930.db2.gz XWDVYOBAKYKVFP-VGWMRTNUSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001264424884 835029941 /nfs/dbraw/zinc/02/99/41/835029941.db2.gz XWDVYOBAKYKVFP-VGWMRTNUSA-N 2 1 323.437 -0.424 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001264490950 835033580 /nfs/dbraw/zinc/03/35/80/835033580.db2.gz HULZTNFLTFSBBC-MELADBBJSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](C)C(=O)NC ZINC001264996609 835066856 /nfs/dbraw/zinc/06/68/56/835066856.db2.gz MCQFGBFISDJPJC-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](C)C(=O)NC ZINC001264996609 835066859 /nfs/dbraw/zinc/06/68/59/835066859.db2.gz MCQFGBFISDJPJC-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)NC ZINC001264996609 835066869 /nfs/dbraw/zinc/06/68/69/835066869.db2.gz MCQFGBFISDJPJC-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)C(=O)NC ZINC001264996609 835066877 /nfs/dbraw/zinc/06/68/77/835066877.db2.gz MCQFGBFISDJPJC-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CCCO1 ZINC001200123016 835095637 /nfs/dbraw/zinc/09/56/37/835095637.db2.gz KHZVGKSRHHXUOB-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200180657 835103909 /nfs/dbraw/zinc/10/39/09/835103909.db2.gz AWGIFEALYMHYNI-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200180657 835103913 /nfs/dbraw/zinc/10/39/13/835103913.db2.gz AWGIFEALYMHYNI-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360379 835134258 /nfs/dbraw/zinc/13/42/58/835134258.db2.gz KSPUBNPWZOYKRK-UONOGXRCSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001265435662 835140547 /nfs/dbraw/zinc/14/05/47/835140547.db2.gz OQCGCACXYWUWNX-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC)C1 ZINC001265435662 835140554 /nfs/dbraw/zinc/14/05/54/835140554.db2.gz OQCGCACXYWUWNX-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001200721741 835148987 /nfs/dbraw/zinc/14/89/87/835148987.db2.gz OPMATGHXZMVMOX-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCOC)C1 ZINC001200721741 835148991 /nfs/dbraw/zinc/14/89/91/835148991.db2.gz OPMATGHXZMVMOX-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200722132 835149014 /nfs/dbraw/zinc/14/90/14/835149014.db2.gz UNAGADLCFGYNRN-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CCCO)C1 ZINC001200722132 835149020 /nfs/dbraw/zinc/14/90/20/835149020.db2.gz UNAGADLCFGYNRN-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001265543727 835151710 /nfs/dbraw/zinc/15/17/10/835151710.db2.gz PDCBFWUSKRLLRA-ZNMIVQPWSA-N 2 1 318.421 -0.377 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC=C)C1 ZINC001265543727 835151712 /nfs/dbraw/zinc/15/17/12/835151712.db2.gz PDCBFWUSKRLLRA-ZNMIVQPWSA-N 2 1 318.421 -0.377 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001265726414 835166215 /nfs/dbraw/zinc/16/62/15/835166215.db2.gz CRQMHGNZOCIIQN-BTFPBAQTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001265726414 835166220 /nfs/dbraw/zinc/16/62/20/835166220.db2.gz CRQMHGNZOCIIQN-BTFPBAQTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001265726414 835166225 /nfs/dbraw/zinc/16/62/25/835166225.db2.gz CRQMHGNZOCIIQN-BTFPBAQTSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639370 835200865 /nfs/dbraw/zinc/20/08/65/835200865.db2.gz JMTSORQFDRAWAU-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001201631628 835200994 /nfs/dbraw/zinc/20/09/94/835200994.db2.gz ISCJFHITTFSBEI-UHFFFAOYSA-N 2 1 317.393 -0.478 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058605 835229222 /nfs/dbraw/zinc/22/92/22/835229222.db2.gz LLVWEOYNLTUQTJ-HOTGVXAUSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202115572 835233629 /nfs/dbraw/zinc/23/36/29/835233629.db2.gz JWDOHKPVMMLPES-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202115572 835233635 /nfs/dbraw/zinc/23/36/35/835233635.db2.gz JWDOHKPVMMLPES-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001266182638 835243701 /nfs/dbraw/zinc/24/37/01/835243701.db2.gz MTQAPFOSCNWWCZ-UONOGXRCSA-N 2 1 308.426 -0.438 20 30 DBEDMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001202504901 835251643 /nfs/dbraw/zinc/25/16/43/835251643.db2.gz WRFGQAWJARUDNP-TZMCWYRMSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001202495280 835252119 /nfs/dbraw/zinc/25/21/19/835252119.db2.gz CFUCXQFEURDVEJ-AWEZNQCLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001202495274 835252170 /nfs/dbraw/zinc/25/21/70/835252170.db2.gz BXIASMLBIMBGIW-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@H+](C)CCC)CC1 ZINC001203456180 835297330 /nfs/dbraw/zinc/29/73/30/835297330.db2.gz QVNHNPZWPASDLQ-UHFFFAOYSA-N 2 1 308.426 -0.342 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC#CCOC)CC2)C1 ZINC001203797833 835308855 /nfs/dbraw/zinc/30/88/55/835308855.db2.gz KFZQCWFVHOLYRA-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC#CCOC)CC2)C1 ZINC001203797833 835308866 /nfs/dbraw/zinc/30/88/66/835308866.db2.gz KFZQCWFVHOLYRA-INIZCTEOSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)CN1CCC[C@H]1CNC(=O)CN1CCCC1 ZINC001266494957 835319038 /nfs/dbraw/zinc/31/90/38/835319038.db2.gz DKEGNXMWDUBNLW-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC(=O)NCC#N)CC1 ZINC001204798401 835327359 /nfs/dbraw/zinc/32/73/59/835327359.db2.gz IOVHBUVVJVIHAY-CQSZACIVSA-N 2 1 321.425 -0.451 20 30 DBEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876402 835330556 /nfs/dbraw/zinc/33/05/56/835330556.db2.gz VLQKXHIAUIFIQJ-INIZCTEOSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876402 835330563 /nfs/dbraw/zinc/33/05/63/835330563.db2.gz VLQKXHIAUIFIQJ-INIZCTEOSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001266699871 835363767 /nfs/dbraw/zinc/36/37/67/835363767.db2.gz QYLFKUVMMMUZDG-ZDUSSCGKSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001266826345 835391185 /nfs/dbraw/zinc/39/11/85/835391185.db2.gz PVXHXWACMSNBPI-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266993828 835423735 /nfs/dbraw/zinc/42/37/35/835423735.db2.gz GDLIMPABHQHEIM-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001206927822 835437154 /nfs/dbraw/zinc/43/71/54/835437154.db2.gz SBYJUWIOAHGDFI-HNNXBMFYSA-N 2 1 320.437 -0.484 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001206927818 835437338 /nfs/dbraw/zinc/43/73/38/835437338.db2.gz RTIDPKRXSNENPP-CQSZACIVSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001267133023 835447662 /nfs/dbraw/zinc/44/76/62/835447662.db2.gz WDMNXLNHLBFLII-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NC1CC1 ZINC001267133023 835447670 /nfs/dbraw/zinc/44/76/70/835447670.db2.gz WDMNXLNHLBFLII-ZFWWWQNUSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)CC(=O)N(C)C)CC1 ZINC001267256822 835469943 /nfs/dbraw/zinc/46/99/43/835469943.db2.gz IASOUJXDQKEJBM-UHFFFAOYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)CC(=O)N(C)C)CC1 ZINC001267256822 835469948 /nfs/dbraw/zinc/46/99/48/835469948.db2.gz IASOUJXDQKEJBM-UHFFFAOYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267314206 835484162 /nfs/dbraw/zinc/48/41/62/835484162.db2.gz KJYIQTZIVRGNGI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001267314206 835484165 /nfs/dbraw/zinc/48/41/65/835484165.db2.gz KJYIQTZIVRGNGI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001267314206 835484169 /nfs/dbraw/zinc/48/41/69/835484169.db2.gz KJYIQTZIVRGNGI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267314206 835484173 /nfs/dbraw/zinc/48/41/73/835484173.db2.gz KJYIQTZIVRGNGI-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267403099 835504789 /nfs/dbraw/zinc/50/47/89/835504789.db2.gz UFLGUGYIVLIDKT-ZDUSSCGKSA-N 2 1 307.398 -0.070 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267571893 835532525 /nfs/dbraw/zinc/53/25/25/835532525.db2.gz UPZANERBGFYHTM-LSDHHAIUSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267571893 835532529 /nfs/dbraw/zinc/53/25/29/835532529.db2.gz UPZANERBGFYHTM-LSDHHAIUSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267571893 835532534 /nfs/dbraw/zinc/53/25/34/835532534.db2.gz UPZANERBGFYHTM-LSDHHAIUSA-N 2 1 320.437 -0.484 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001268014068 835620332 /nfs/dbraw/zinc/62/03/32/835620332.db2.gz KIUURWDIQHIDKK-LLVKDONJSA-N 2 1 306.370 -0.827 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001268138212 835635660 /nfs/dbraw/zinc/63/56/60/835635660.db2.gz AWIVEIXOGVFTFX-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC ZINC001268552484 835728619 /nfs/dbraw/zinc/72/86/19/835728619.db2.gz MXOCGMUNYVOIGT-GJBLVYBDSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC ZINC001268552484 835728628 /nfs/dbraw/zinc/72/86/28/835728628.db2.gz MXOCGMUNYVOIGT-GJBLVYBDSA-N 2 1 306.410 -0.518 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001268651319 835765072 /nfs/dbraw/zinc/76/50/72/835765072.db2.gz APDRQBHTTODWPY-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734567 835792184 /nfs/dbraw/zinc/79/21/84/835792184.db2.gz XMWMTFDJFPHBBE-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC001268734567 835792192 /nfs/dbraw/zinc/79/21/92/835792192.db2.gz XMWMTFDJFPHBBE-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268747303 835797606 /nfs/dbraw/zinc/79/76/06/835797606.db2.gz QJWMQPZVBXVWSE-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268747303 835797611 /nfs/dbraw/zinc/79/76/11/835797611.db2.gz QJWMQPZVBXVWSE-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268747303 835797617 /nfs/dbraw/zinc/79/76/17/835797617.db2.gz QJWMQPZVBXVWSE-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268747303 835797622 /nfs/dbraw/zinc/79/76/22/835797622.db2.gz QJWMQPZVBXVWSE-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750607 835798389 /nfs/dbraw/zinc/79/83/89/835798389.db2.gz BOGVISDAKPDTFC-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750607 835798399 /nfs/dbraw/zinc/79/83/99/835798399.db2.gz BOGVISDAKPDTFC-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268750607 835798407 /nfs/dbraw/zinc/79/84/07/835798407.db2.gz BOGVISDAKPDTFC-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268750607 835798414 /nfs/dbraw/zinc/79/84/14/835798414.db2.gz BOGVISDAKPDTFC-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268759019 835801856 /nfs/dbraw/zinc/80/18/56/835801856.db2.gz HTAWKBSRJOXCEJ-ZIAGYGMSSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268759019 835801866 /nfs/dbraw/zinc/80/18/66/835801866.db2.gz HTAWKBSRJOXCEJ-ZIAGYGMSSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759019 835801878 /nfs/dbraw/zinc/80/18/78/835801878.db2.gz HTAWKBSRJOXCEJ-ZIAGYGMSSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759019 835801888 /nfs/dbraw/zinc/80/18/88/835801888.db2.gz HTAWKBSRJOXCEJ-ZIAGYGMSSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485373018 1013167341 /nfs/dbraw/zinc/16/73/41/1013167341.db2.gz IAJKCJIHWNGKEM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001485373018 1013167348 /nfs/dbraw/zinc/16/73/48/1013167348.db2.gz IAJKCJIHWNGKEM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373018 1013167368 /nfs/dbraw/zinc/16/73/68/1013167368.db2.gz IAJKCJIHWNGKEM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001485373018 1013167383 /nfs/dbraw/zinc/16/73/83/1013167383.db2.gz IAJKCJIHWNGKEM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)CN(C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001485377571 1013171459 /nfs/dbraw/zinc/17/14/59/1013171459.db2.gz KELPIDJDLHZLIO-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001485377571 1013171474 /nfs/dbraw/zinc/17/14/74/1013171474.db2.gz KELPIDJDLHZLIO-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)[C@@]12CC[N@@H+](C1)CCC2 ZINC001485377571 1013171490 /nfs/dbraw/zinc/17/14/90/1013171490.db2.gz KELPIDJDLHZLIO-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001485377571 1013171502 /nfs/dbraw/zinc/17/15/02/1013171502.db2.gz KELPIDJDLHZLIO-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001485377571 1013171511 /nfs/dbraw/zinc/17/15/11/1013171511.db2.gz KELPIDJDLHZLIO-PBHICJAKSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@@H+](C)CC)C(C)(C)C1 ZINC001485578825 1013279062 /nfs/dbraw/zinc/27/90/62/1013279062.db2.gz DLQZIDQQGNMPMZ-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H](NC(=O)CC[N@H+](C)CC)C(C)(C)C1 ZINC001485578825 1013279066 /nfs/dbraw/zinc/27/90/66/1013279066.db2.gz DLQZIDQQGNMPMZ-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485578825 1013279069 /nfs/dbraw/zinc/27/90/69/1013279069.db2.gz DLQZIDQQGNMPMZ-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001485578825 1013279071 /nfs/dbraw/zinc/27/90/71/1013279071.db2.gz DLQZIDQQGNMPMZ-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCN1CCC2(C1)OCCO2 ZINC001527878910 1014304581 /nfs/dbraw/zinc/30/45/81/1014304581.db2.gz UNVSJLUBBAFWKM-UHFFFAOYSA-N 2 1 324.425 -0.311 20 30 DBEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117657 977654878 /nfs/dbraw/zinc/65/48/78/977654878.db2.gz WKJRDZKFFPIQOP-HZPDHXFCSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117657 977654885 /nfs/dbraw/zinc/65/48/85/977654885.db2.gz WKJRDZKFFPIQOP-HZPDHXFCSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001208352809 978349586 /nfs/dbraw/zinc/34/95/86/978349586.db2.gz PCMOYGTZPDTTIK-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001208352809 978349595 /nfs/dbraw/zinc/34/95/95/978349595.db2.gz PCMOYGTZPDTTIK-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001208352876 978350182 /nfs/dbraw/zinc/35/01/82/978350182.db2.gz RJMXPPMVOKQKGK-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@H](O)COC)C1 ZINC001208352876 978350194 /nfs/dbraw/zinc/35/01/94/978350194.db2.gz RJMXPPMVOKQKGK-PMPSAXMXSA-N 2 1 323.437 -0.328 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208570032 978392101 /nfs/dbraw/zinc/39/21/01/978392101.db2.gz WPNFLANFJNKOTM-CYBMUJFWSA-N 2 1 318.381 -0.588 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208570037 978393194 /nfs/dbraw/zinc/39/31/94/978393194.db2.gz WPNFLANFJNKOTM-ZDUSSCGKSA-N 2 1 318.381 -0.588 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001210674268 978524466 /nfs/dbraw/zinc/52/44/66/978524466.db2.gz QKWYEYCEKFMHIH-KGLIPLIRSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638576 978681677 /nfs/dbraw/zinc/68/16/77/978681677.db2.gz VDYCKCBFUIWVIK-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](OC)C1 ZINC001213638576 978681679 /nfs/dbraw/zinc/68/16/79/978681679.db2.gz VDYCKCBFUIWVIK-HZPDHXFCSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863526 978695560 /nfs/dbraw/zinc/69/55/60/978695560.db2.gz NADYAHSLKGHKQQ-ARFHVFGLSA-N 2 1 323.437 -0.207 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214343830 978726301 /nfs/dbraw/zinc/72/63/01/978726301.db2.gz HOLFCEGOBZJRTG-MCIONIFRSA-N 2 1 308.426 -0.181 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214388992 978728949 /nfs/dbraw/zinc/72/89/49/978728949.db2.gz OSMUORHVYRGXRZ-MGPQQGTHSA-N 2 1 324.425 -0.944 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214388992 978728951 /nfs/dbraw/zinc/72/89/51/978728951.db2.gz OSMUORHVYRGXRZ-MGPQQGTHSA-N 2 1 324.425 -0.944 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1C ZINC001214968969 978757456 /nfs/dbraw/zinc/75/74/56/978757456.db2.gz GGPTZLAFQWTVKA-RBSFLKMASA-N 2 1 320.437 -0.343 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001216754530 978793705 /nfs/dbraw/zinc/79/37/05/978793705.db2.gz ZNYBZHSAFJUFPW-FRRDWIJNSA-N 2 1 307.398 -0.986 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001216801417 978794435 /nfs/dbraw/zinc/79/44/35/978794435.db2.gz NCFFGDUTIYNYJN-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001216801417 978794442 /nfs/dbraw/zinc/79/44/42/978794442.db2.gz NCFFGDUTIYNYJN-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C=C1C[NH2+][C@](C)(C(=O)NCc2cc(=O)n3c(n2)C[NH2+]CCC3)C1 ZINC001219806173 979020680 /nfs/dbraw/zinc/02/06/80/979020680.db2.gz MOJASINQMWIASI-INIZCTEOSA-N 2 1 317.393 -0.339 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020121 979350037 /nfs/dbraw/zinc/35/00/37/979350037.db2.gz HJSSSSAJGPIICA-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](O)C1 ZINC001221020121 979350045 /nfs/dbraw/zinc/35/00/45/979350045.db2.gz HJSSSSAJGPIICA-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020121 979350050 /nfs/dbraw/zinc/35/00/50/979350050.db2.gz HJSSSSAJGPIICA-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](O)C1 ZINC001221020121 979350062 /nfs/dbraw/zinc/35/00/62/979350062.db2.gz HJSSSSAJGPIICA-ILXRZTDVSA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793248 979466723 /nfs/dbraw/zinc/46/67/23/979466723.db2.gz XSCMBLFRXVCQPX-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H]2CN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001221793248 979466729 /nfs/dbraw/zinc/46/67/29/979466729.db2.gz XSCMBLFRXVCQPX-RBSFLKMASA-N 2 1 320.437 -0.391 20 30 DBEDMP CCC[N@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225228610 979594978 /nfs/dbraw/zinc/59/49/78/979594978.db2.gz RUEBUHYXNFKBHB-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225228610 979594988 /nfs/dbraw/zinc/59/49/88/979594988.db2.gz RUEBUHYXNFKBHB-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP N#CCNC(=O)C[NH+]1CCC(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001225435572 979597549 /nfs/dbraw/zinc/59/75/49/979597549.db2.gz LPVHCOCPKZOKEP-UHFFFAOYSA-N 2 1 321.425 -0.450 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001229008493 979674606 /nfs/dbraw/zinc/67/46/06/979674606.db2.gz OMCDUJQSSXTZNO-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001326075109 979729007 /nfs/dbraw/zinc/72/90/07/979729007.db2.gz XNJYZZZWIPNJPS-HNNXBMFYSA-N 2 1 311.426 -0.469 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001488878502 1014625379 /nfs/dbraw/zinc/62/53/79/1014625379.db2.gz LUDDJJCGDLHNHL-MGPQQGTHSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[NH+](C)CCN1C ZINC001346373490 980135533 /nfs/dbraw/zinc/13/55/33/980135533.db2.gz GHIPIXQZNRNAAV-CABCVRRESA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC001346373490 980135538 /nfs/dbraw/zinc/13/55/38/980135538.db2.gz GHIPIXQZNRNAAV-CABCVRRESA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@@H]1C[N@@H+](C)CCN1C ZINC001346373490 980135544 /nfs/dbraw/zinc/13/55/44/980135544.db2.gz GHIPIXQZNRNAAV-CABCVRRESA-N 2 1 309.458 -0.125 20 30 DBEDMP O=C(C#CC1CC[NH2+]CC1)N1CCc2nc[nH]c2[C@]12CC[NH2+]C2 ZINC001354902272 980877503 /nfs/dbraw/zinc/87/75/03/980877503.db2.gz CBCGAXHZRYWKPT-QGZVFWFLSA-N 2 1 313.405 -0.014 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001490196302 1014889398 /nfs/dbraw/zinc/88/93/98/1014889398.db2.gz NEGPURPCRKUELU-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001490196302 1014889404 /nfs/dbraw/zinc/88/94/04/1014889404.db2.gz NEGPURPCRKUELU-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001490196302 1014889408 /nfs/dbraw/zinc/88/94/08/1014889408.db2.gz NEGPURPCRKUELU-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H](CC)C(N)=O ZINC001490209166 1014893923 /nfs/dbraw/zinc/89/39/23/1014893923.db2.gz UTTHBWQLRRMRQP-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H](CC)C(N)=O ZINC001490209166 1014893929 /nfs/dbraw/zinc/89/39/29/1014893929.db2.gz UTTHBWQLRRMRQP-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](CC)C(N)=O ZINC001490209166 1014893935 /nfs/dbraw/zinc/89/39/35/1014893935.db2.gz UTTHBWQLRRMRQP-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](CC)C(N)=O ZINC001490209166 1014893940 /nfs/dbraw/zinc/89/39/40/1014893940.db2.gz UTTHBWQLRRMRQP-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001490911571 1015160476 /nfs/dbraw/zinc/16/04/76/1015160476.db2.gz PRZMGRMHAMWRBO-IHRRRGAJSA-N 2 1 317.393 -0.434 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001491596611 1015509741 /nfs/dbraw/zinc/50/97/41/1015509741.db2.gz VDAXSXBSNHUPEJ-CYBMUJFWSA-N 2 1 319.409 -0.150 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491725009 1015593858 /nfs/dbraw/zinc/59/38/58/1015593858.db2.gz MGUYEGCLTTXWLA-KBPBESRZSA-N 2 1 321.425 -0.311 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001491811013 1015633889 /nfs/dbraw/zinc/63/38/89/1015633889.db2.gz AHEHVPMEJMXODS-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC)C1 ZINC001491811013 1015633906 /nfs/dbraw/zinc/63/39/06/1015633906.db2.gz AHEHVPMEJMXODS-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491812788 1015634710 /nfs/dbraw/zinc/63/47/10/1015634710.db2.gz SUXGBUXCGNFELX-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC)C1 ZINC001491812788 1015634719 /nfs/dbraw/zinc/63/47/19/1015634719.db2.gz SUXGBUXCGNFELX-KBPBESRZSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491812789 1015635296 /nfs/dbraw/zinc/63/52/96/1015635296.db2.gz SUXGBUXCGNFELX-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC)C1 ZINC001491812789 1015635306 /nfs/dbraw/zinc/63/53/06/1015635306.db2.gz SUXGBUXCGNFELX-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C=C(Br)C[NH2+][C@H](CO)CNC(=O)CC[NH+](C)C ZINC001379469718 991692930 /nfs/dbraw/zinc/69/29/30/991692930.db2.gz OYCYVOFQRHPUFP-JTQLQIEISA-N 2 1 308.220 -0.087 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC(=O)NCC#N)C1 ZINC001494169624 1016182838 /nfs/dbraw/zinc/18/28/38/1016182838.db2.gz LYCXHKWVLHUJBV-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CC(=O)NCC#N)C1 ZINC001494169624 1016182845 /nfs/dbraw/zinc/18/28/45/1016182845.db2.gz LYCXHKWVLHUJBV-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001494169624 1016182861 /nfs/dbraw/zinc/18/28/61/1016182861.db2.gz LYCXHKWVLHUJBV-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001496201382 1016864745 /nfs/dbraw/zinc/86/47/45/1016864745.db2.gz XCCISGXWUPZHOJ-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+]1CCCC1 ZINC001496201382 1016864746 /nfs/dbraw/zinc/86/47/46/1016864746.db2.gz XCCISGXWUPZHOJ-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001496573756 1016956411 /nfs/dbraw/zinc/95/64/11/1016956411.db2.gz HQEXIUKJSDLXBC-KBPBESRZSA-N 2 1 323.441 -0.159 20 30 DBEDMP C=CC[N@@H+](C)CCN(CC)S(=O)(=O)N1CCN(C)CC1 ZINC001475476858 1010030996 /nfs/dbraw/zinc/03/09/96/1010030996.db2.gz HIDSWKIJIWTZPI-UHFFFAOYSA-N 2 1 304.460 -0.082 20 30 DBEDMP C=CC[N@H+](C)CCN(CC)S(=O)(=O)N1CCN(C)CC1 ZINC001475476858 1010031014 /nfs/dbraw/zinc/03/10/14/1010031014.db2.gz HIDSWKIJIWTZPI-UHFFFAOYSA-N 2 1 304.460 -0.082 20 30 DBEDMP CC#CC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001479939894 1010462879 /nfs/dbraw/zinc/46/28/79/1010462879.db2.gz HPZBXFIYXWHRML-UHFFFAOYSA-N 2 1 304.438 -0.161 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@@H+](C)CC(=O)NCC#N)C1 ZINC001480083638 1010528294 /nfs/dbraw/zinc/52/82/94/1010528294.db2.gz GKWFPMFHMHNRQJ-AWEZNQCLSA-N 2 1 323.441 -0.252 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480139368 1010551700 /nfs/dbraw/zinc/55/17/00/1010551700.db2.gz SPTPDLFPWWRXJQ-MGPQQGTHSA-N 2 1 321.425 -0.264 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001480142528 1010553938 /nfs/dbraw/zinc/55/39/38/1010553938.db2.gz RVAQVVSTAISUJQ-AJNGGQMLSA-N 2 1 309.410 -0.672 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@H](O)COC)C1 ZINC001480142528 1010553947 /nfs/dbraw/zinc/55/39/47/1010553947.db2.gz RVAQVVSTAISUJQ-AJNGGQMLSA-N 2 1 309.410 -0.672 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001480205947 1010574412 /nfs/dbraw/zinc/57/44/12/1010574412.db2.gz SVPBBWIHWHUABN-YIYPIFLZSA-N 2 1 308.426 -0.134 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001480223815 1010581773 /nfs/dbraw/zinc/58/17/73/1010581773.db2.gz JNWJLZCATUGXPP-UPJWGTAASA-N 2 1 307.398 -0.795 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001480267352 1010600622 /nfs/dbraw/zinc/60/06/22/1010600622.db2.gz LKYWVPNGZIKBRF-HNNXBMFYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001480267352 1010600630 /nfs/dbraw/zinc/60/06/30/1010600630.db2.gz LKYWVPNGZIKBRF-HNNXBMFYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001480267352 1010600632 /nfs/dbraw/zinc/60/06/32/1010600632.db2.gz LKYWVPNGZIKBRF-HNNXBMFYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001480351504 1010616551 /nfs/dbraw/zinc/61/65/51/1010616551.db2.gz MDCDLEZHNGUJCD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(=O)NC ZINC001480351504 1010616556 /nfs/dbraw/zinc/61/65/56/1010616556.db2.gz MDCDLEZHNGUJCD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001480410904 1010628807 /nfs/dbraw/zinc/62/88/07/1010628807.db2.gz BJGRELZWEQFMNL-HSBZDZAISA-N 2 1 321.425 -0.405 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480625374 1010721660 /nfs/dbraw/zinc/72/16/60/1010721660.db2.gz PDGAVRULJFEDIS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)C2)C1 ZINC001480625374 1010721671 /nfs/dbraw/zinc/72/16/71/1010721671.db2.gz PDGAVRULJFEDIS-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001481132141 1010844487 /nfs/dbraw/zinc/84/44/87/1010844487.db2.gz DXZCKLHDGOODBB-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001481132141 1010844492 /nfs/dbraw/zinc/84/44/92/1010844492.db2.gz DXZCKLHDGOODBB-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001481132141 1010844496 /nfs/dbraw/zinc/84/44/96/1010844496.db2.gz DXZCKLHDGOODBB-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001481132141 1010844499 /nfs/dbraw/zinc/84/44/99/1010844499.db2.gz DXZCKLHDGOODBB-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194124 1010857765 /nfs/dbraw/zinc/85/77/65/1010857765.db2.gz CGYYQSDTDPLTKK-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194124 1010857769 /nfs/dbraw/zinc/85/77/69/1010857769.db2.gz CGYYQSDTDPLTKK-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@@H](CC(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194124 1010857772 /nfs/dbraw/zinc/85/77/72/1010857772.db2.gz CGYYQSDTDPLTKK-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@@H](CC(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194124 1010857775 /nfs/dbraw/zinc/85/77/75/1010857775.db2.gz CGYYQSDTDPLTKK-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP CC(C)[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001481358098 1010893856 /nfs/dbraw/zinc/89/38/56/1010893856.db2.gz MIRGRPSDZHSMCA-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001481358098 1010893858 /nfs/dbraw/zinc/89/38/58/1010893858.db2.gz MIRGRPSDZHSMCA-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[NH+](CCCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001481358098 1010893861 /nfs/dbraw/zinc/89/38/61/1010893861.db2.gz MIRGRPSDZHSMCA-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331226 1011120973 /nfs/dbraw/zinc/12/09/73/1011120973.db2.gz OTGYVVSIKKCSKU-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482365669 1011130419 /nfs/dbraw/zinc/13/04/19/1011130419.db2.gz XDPQIDKAOZWWEY-CHWSQXEVSA-N 2 1 319.409 -0.234 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001482962797 1011564513 /nfs/dbraw/zinc/56/45/13/1011564513.db2.gz BHNTWIMCIJYZAM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482990856 1011576648 /nfs/dbraw/zinc/57/66/48/1011576648.db2.gz IQNLTMKUQZOLEZ-BUHQSOCUSA-N 2 1 306.410 -0.520 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001483149301 1011740639 /nfs/dbraw/zinc/74/06/39/1011740639.db2.gz DJCSIAHGQSCLBN-DGCLKSJQSA-N 2 1 307.398 -0.023 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340339 1011846653 /nfs/dbraw/zinc/84/66/53/1011846653.db2.gz QNFSLJPPXLIORQ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001483340339 1011846655 /nfs/dbraw/zinc/84/66/55/1011846655.db2.gz QNFSLJPPXLIORQ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001483340339 1011846657 /nfs/dbraw/zinc/84/66/57/1011846657.db2.gz QNFSLJPPXLIORQ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001483340339 1011846658 /nfs/dbraw/zinc/84/66/58/1011846658.db2.gz QNFSLJPPXLIORQ-JHJVBQTASA-N 2 1 309.414 -0.597 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483548635 1011898969 /nfs/dbraw/zinc/89/89/69/1011898969.db2.gz BVPGVIMOIHYJPO-ZIAGYGMSSA-N 2 1 308.426 -0.133 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001483784317 1012137915 /nfs/dbraw/zinc/13/79/15/1012137915.db2.gz RSJGRGQRTRYGKR-ZDUSSCGKSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001483784316 1012139680 /nfs/dbraw/zinc/13/96/80/1012139680.db2.gz RSJGRGQRTRYGKR-CYBMUJFWSA-N 2 1 308.426 -0.131 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001483916341 1012205612 /nfs/dbraw/zinc/20/56/12/1012205612.db2.gz ODNANSWQBYLSPX-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234245 1012430409 /nfs/dbraw/zinc/43/04/09/1012430409.db2.gz SYNKNEUDDPEDGR-WMLDXEAASA-N 2 1 316.405 -0.060 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234245 1012430417 /nfs/dbraw/zinc/43/04/17/1012430417.db2.gz SYNKNEUDDPEDGR-WMLDXEAASA-N 2 1 316.405 -0.060 20 30 DBEDMP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001484250180 1012460390 /nfs/dbraw/zinc/46/03/90/1012460390.db2.gz CTZCMMWKNTVSFB-ZBFHGGJFSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484250180 1012460397 /nfs/dbraw/zinc/46/03/97/1012460397.db2.gz CTZCMMWKNTVSFB-ZBFHGGJFSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001484250180 1012460400 /nfs/dbraw/zinc/46/04/00/1012460400.db2.gz CTZCMMWKNTVSFB-ZBFHGGJFSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001484736102 1012843762 /nfs/dbraw/zinc/84/37/62/1012843762.db2.gz GTJGIJMWDRWHKH-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001484736102 1012843765 /nfs/dbraw/zinc/84/37/65/1012843765.db2.gz GTJGIJMWDRWHKH-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001484736102 1012843766 /nfs/dbraw/zinc/84/37/66/1012843766.db2.gz GTJGIJMWDRWHKH-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cn1cc[nH+]c1C ZINC001485002213 1012935043 /nfs/dbraw/zinc/93/50/43/1012935043.db2.gz CUFVAIPPHFWRRT-LBPRGKRZSA-N 2 1 305.382 -0.575 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586532 1017432358 /nfs/dbraw/zinc/43/23/58/1017432358.db2.gz WMNVZZPMIHMANY-XQIWKARSSA-N 2 1 320.437 -0.274 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374904 1017760615 /nfs/dbraw/zinc/76/06/15/1017760615.db2.gz JIHXBGPDLNEZFG-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374904 1017760634 /nfs/dbraw/zinc/76/06/34/1017760634.db2.gz JIHXBGPDLNEZFG-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001499882221 1018201715 /nfs/dbraw/zinc/20/17/15/1018201715.db2.gz IKTBCXMKGVEXER-QWHCGFSZSA-N 2 1 307.398 -0.699 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001499950242 1018215897 /nfs/dbraw/zinc/21/58/97/1018215897.db2.gz CONKUTLGLALHSO-CYBMUJFWSA-N 2 1 318.381 -0.588 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500687093 1018405502 /nfs/dbraw/zinc/40/55/02/1018405502.db2.gz RIRUAANVANYEKJ-QGZVFWFLSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500687093 1018405516 /nfs/dbraw/zinc/40/55/16/1018405516.db2.gz RIRUAANVANYEKJ-QGZVFWFLSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500687093 1018405525 /nfs/dbraw/zinc/40/55/25/1018405525.db2.gz RIRUAANVANYEKJ-QGZVFWFLSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001501651218 1018847661 /nfs/dbraw/zinc/84/76/61/1018847661.db2.gz MFIQHRMEFUCTEK-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCC1 ZINC001502029339 1018921864 /nfs/dbraw/zinc/92/18/64/1018921864.db2.gz UUYVMOSATJLZGL-UHFFFAOYSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456381 1019315352 /nfs/dbraw/zinc/31/53/52/1019315352.db2.gz TVJAGLPOAJDPCZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](C)C ZINC001505456381 1019315367 /nfs/dbraw/zinc/31/53/67/1019315367.db2.gz TVJAGLPOAJDPCZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001505939268 1019613413 /nfs/dbraw/zinc/61/34/13/1019613413.db2.gz DLXCRANXYJUSFE-OCCSQVGLSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001505939268 1019613422 /nfs/dbraw/zinc/61/34/22/1019613422.db2.gz DLXCRANXYJUSFE-OCCSQVGLSA-N 2 1 311.430 -0.351 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC(=O)NC)C(C)C ZINC001506987143 1020034874 /nfs/dbraw/zinc/03/48/74/1020034874.db2.gz RNAVVBKMMJPNIY-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]([NH2+]CC(=O)NC)C(C)C ZINC001506987143 1020034889 /nfs/dbraw/zinc/03/48/89/1020034889.db2.gz RNAVVBKMMJPNIY-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507011294 1020044445 /nfs/dbraw/zinc/04/44/45/1020044445.db2.gz LUJXLGPHHKPUND-UONOGXRCSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507011294 1020044457 /nfs/dbraw/zinc/04/44/57/1020044457.db2.gz LUJXLGPHHKPUND-UONOGXRCSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001577950299 1020153564 /nfs/dbraw/zinc/15/35/64/1020153564.db2.gz DFADFFISTMKNTM-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001577950299 1020153569 /nfs/dbraw/zinc/15/35/69/1020153569.db2.gz DFADFFISTMKNTM-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001507206101 1020182057 /nfs/dbraw/zinc/18/20/57/1020182057.db2.gz XYKQWXXDWFCWEP-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CCn1cccn1 ZINC001507206101 1020182061 /nfs/dbraw/zinc/18/20/61/1020182061.db2.gz XYKQWXXDWFCWEP-CABCVRRESA-N 2 1 319.409 -0.953 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507343297 1020296294 /nfs/dbraw/zinc/29/62/94/1020296294.db2.gz XLRBKASOLPBCNS-ZIAGYGMSSA-N 2 1 308.426 -0.345 20 30 DBEDMP N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CC[N@H+]3C[C@H](O)C[C@H]3C1)C2 ZINC001580042662 1020635720 /nfs/dbraw/zinc/63/57/20/1020635720.db2.gz YFCGROLUXJYGAX-NHGZVPIDSA-N 2 1 304.394 -0.597 20 30 DBEDMP N#CC1(C[C@H](O)C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)CC1 ZINC001580038330 1020636775 /nfs/dbraw/zinc/63/67/75/1020636775.db2.gz KORAKAITFUVOBZ-FQUUOJAGSA-N 2 1 320.393 -0.092 20 30 DBEDMP O=C(NCC#CCO)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC001580625276 1020768418 /nfs/dbraw/zinc/76/84/18/1020768418.db2.gz HZDBIGDYRBMTBF-GASCZTMLSA-N 2 1 306.410 -0.408 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001565945072 1024093697 /nfs/dbraw/zinc/09/36/97/1024093697.db2.gz ALLKAXRFHAEYCT-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001565945072 1024093710 /nfs/dbraw/zinc/09/37/10/1024093710.db2.gz ALLKAXRFHAEYCT-OAGGEKHMSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@H]1CCNC1=O ZINC001566552566 1024249630 /nfs/dbraw/zinc/24/96/30/1024249630.db2.gz BAPFVUVQHBTTDE-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@H]1CCNC1=O ZINC001566552566 1024249646 /nfs/dbraw/zinc/24/96/46/1024249646.db2.gz BAPFVUVQHBTTDE-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H]1CCNC1=O ZINC001566552566 1024249666 /nfs/dbraw/zinc/24/96/66/1024249666.db2.gz BAPFVUVQHBTTDE-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@H]1CCNC1=O ZINC001566552566 1024249679 /nfs/dbraw/zinc/24/96/79/1024249679.db2.gz BAPFVUVQHBTTDE-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP N#CCN1CC[NH+](CCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001566645648 1024307889 /nfs/dbraw/zinc/30/78/89/1024307889.db2.gz NVKOEVKJPUFGMM-UHFFFAOYSA-N 2 1 305.426 -0.270 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001566766767 1024365239 /nfs/dbraw/zinc/36/52/39/1024365239.db2.gz ODXAPPYTPIOZQY-KGLIPLIRSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001566800967 1024377542 /nfs/dbraw/zinc/37/75/42/1024377542.db2.gz MEZPWLZSKMRSFK-AJNGGQMLSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001566839185 1024386431 /nfs/dbraw/zinc/38/64/31/1024386431.db2.gz PLSNYVUTAGTBGS-YIYPIFLZSA-N 2 1 306.410 -0.687 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC=C ZINC001567021588 1024468895 /nfs/dbraw/zinc/46/88/95/1024468895.db2.gz DKGHXDXRZOMWKH-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC=C ZINC001567021588 1024468925 /nfs/dbraw/zinc/46/89/25/1024468925.db2.gz DKGHXDXRZOMWKH-KBPBESRZSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001567088578 1024510929 /nfs/dbraw/zinc/51/09/29/1024510929.db2.gz PRAQCZICZBVFEZ-OAHLLOKOSA-N 2 1 322.453 -0.094 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001567118719 1024531196 /nfs/dbraw/zinc/53/11/96/1024531196.db2.gz WPTAUXMSKGTRRT-CABCVRRESA-N 2 1 309.410 -0.595 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001567118719 1024531224 /nfs/dbraw/zinc/53/12/24/1024531224.db2.gz WPTAUXMSKGTRRT-CABCVRRESA-N 2 1 309.410 -0.595 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001567145473 1024546714 /nfs/dbraw/zinc/54/67/14/1024546714.db2.gz RUSUCAHWKKPWBH-INIZCTEOSA-N 2 1 323.437 -0.203 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001567154300 1024553728 /nfs/dbraw/zinc/55/37/28/1024553728.db2.gz DEQBQBWSEPMVJO-AWEZNQCLSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153115 1024555170 /nfs/dbraw/zinc/55/51/70/1024555170.db2.gz HVILRXXYMIPBPZ-OLZOCXBDSA-N 2 1 307.398 -0.984 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001567347435 1024641680 /nfs/dbraw/zinc/64/16/80/1024641680.db2.gz CQELEEZQYPAZQL-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001567347435 1024641705 /nfs/dbraw/zinc/64/17/05/1024641705.db2.gz CQELEEZQYPAZQL-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001567347435 1024641727 /nfs/dbraw/zinc/64/17/27/1024641727.db2.gz CQELEEZQYPAZQL-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001567347435 1024641744 /nfs/dbraw/zinc/64/17/44/1024641744.db2.gz CQELEEZQYPAZQL-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001567404408 1024673603 /nfs/dbraw/zinc/67/36/03/1024673603.db2.gz XHULRMCFRQTQHY-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001567404408 1024673621 /nfs/dbraw/zinc/67/36/21/1024673621.db2.gz XHULRMCFRQTQHY-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567404408 1024673632 /nfs/dbraw/zinc/67/36/32/1024673632.db2.gz XHULRMCFRQTQHY-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567404408 1024673650 /nfs/dbraw/zinc/67/36/50/1024673650.db2.gz XHULRMCFRQTQHY-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@@H+](C)CC(N)=O)C1 ZINC001567731012 1024815780 /nfs/dbraw/zinc/81/57/80/1024815780.db2.gz HMOQFDITTDQLKQ-KGLIPLIRSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)CC(N)=O)C1 ZINC001567731012 1024815781 /nfs/dbraw/zinc/81/57/81/1024815781.db2.gz HMOQFDITTDQLKQ-KGLIPLIRSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001567731012 1024815783 /nfs/dbraw/zinc/81/57/83/1024815783.db2.gz HMOQFDITTDQLKQ-KGLIPLIRSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CC(N)=O)C1 ZINC001567731012 1024815784 /nfs/dbraw/zinc/81/57/84/1024815784.db2.gz HMOQFDITTDQLKQ-KGLIPLIRSA-N 2 1 306.410 -0.650 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001567741667 1024817481 /nfs/dbraw/zinc/81/74/81/1024817481.db2.gz HUJFXXKLTAPLMS-GJZGRUSLSA-N 2 1 322.453 -0.144 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001568198791 1024874463 /nfs/dbraw/zinc/87/44/63/1024874463.db2.gz XKEZOYBRHZDQLW-OAHLLOKOSA-N 2 1 311.426 -0.300 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001568506499 1024923378 /nfs/dbraw/zinc/92/33/78/1024923378.db2.gz OXCQVDICMBUHSN-AWEZNQCLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001568642488 1024975811 /nfs/dbraw/zinc/97/58/11/1024975811.db2.gz PITWVKORKHWNAP-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001568642488 1024975819 /nfs/dbraw/zinc/97/58/19/1024975819.db2.gz PITWVKORKHWNAP-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001568642489 1024976687 /nfs/dbraw/zinc/97/66/87/1024976687.db2.gz PITWVKORKHWNAP-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)N1CCC1 ZINC001568642489 1024976698 /nfs/dbraw/zinc/97/66/98/1024976698.db2.gz PITWVKORKHWNAP-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001568741795 1024999582 /nfs/dbraw/zinc/99/95/82/1024999582.db2.gz HHMVYCOIQABETF-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001568741792 1024999869 /nfs/dbraw/zinc/99/98/69/1024999869.db2.gz HHMVYCOIQABETF-AWEZNQCLSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cn1cc[nH+]c1C ZINC001568797924 1025018781 /nfs/dbraw/zinc/01/87/81/1025018781.db2.gz QNIPRLIGLTZMED-UHFFFAOYSA-N 2 1 305.382 -0.621 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O ZINC001568866512 1025055369 /nfs/dbraw/zinc/05/53/69/1025055369.db2.gz USWMBNTWLIUHOY-WCYDHSITSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H]1CCCNC1=O ZINC001568866512 1025055385 /nfs/dbraw/zinc/05/53/85/1025055385.db2.gz USWMBNTWLIUHOY-WCYDHSITSA-N 2 1 318.421 -0.375 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001568964239 1025100980 /nfs/dbraw/zinc/10/09/80/1025100980.db2.gz PMUOXKBVQLRNEB-VQGNRHNMSA-N 2 1 320.437 -0.013 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001569118098 1025144765 /nfs/dbraw/zinc/14/47/65/1025144765.db2.gz OMFHTUUMHHDTDA-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001569118098 1025144778 /nfs/dbraw/zinc/14/47/78/1025144778.db2.gz OMFHTUUMHHDTDA-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118098 1025144783 /nfs/dbraw/zinc/14/47/83/1025144783.db2.gz OMFHTUUMHHDTDA-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001569118098 1025144807 /nfs/dbraw/zinc/14/48/07/1025144807.db2.gz OMFHTUUMHHDTDA-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCn1cncn1 ZINC001569121835 1025148663 /nfs/dbraw/zinc/14/86/63/1025148663.db2.gz QIXHKOYHQQEIQX-CABCVRRESA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)CCn1cncn1 ZINC001569121835 1025148674 /nfs/dbraw/zinc/14/86/74/1025148674.db2.gz QIXHKOYHQQEIQX-CABCVRRESA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCn1cncn1 ZINC001569121835 1025148692 /nfs/dbraw/zinc/14/86/92/1025148692.db2.gz QIXHKOYHQQEIQX-CABCVRRESA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCn1cncn1 ZINC001569121835 1025148699 /nfs/dbraw/zinc/14/86/99/1025148699.db2.gz QIXHKOYHQQEIQX-CABCVRRESA-N 2 1 318.425 -0.188 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001569211079 1025170586 /nfs/dbraw/zinc/17/05/86/1025170586.db2.gz NKJHDNPBCQWVQT-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCCNC1=O ZINC001569211079 1025170593 /nfs/dbraw/zinc/17/05/93/1025170593.db2.gz NKJHDNPBCQWVQT-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001569314722 1025197551 /nfs/dbraw/zinc/19/75/51/1025197551.db2.gz LNESIDFCUFXPLI-KBPBESRZSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001569764897 1025345761 /nfs/dbraw/zinc/34/57/61/1025345761.db2.gz FXPJPPCCNHDMIO-GDBMZVCRSA-N 2 1 309.410 -0.859 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001569824914 1025371517 /nfs/dbraw/zinc/37/15/17/1025371517.db2.gz BZPZUDOMQPJAEJ-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001569919399 1025401317 /nfs/dbraw/zinc/40/13/17/1025401317.db2.gz BQPQHVBXVXTBRB-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001569919399 1025401325 /nfs/dbraw/zinc/40/13/25/1025401325.db2.gz BQPQHVBXVXTBRB-LSDHHAIUSA-N 2 1 320.437 -0.390 20 30 DBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001570294278 1025565930 /nfs/dbraw/zinc/56/59/30/1025565930.db2.gz RFIBTHNFDNJTMC-RDJZCZTQSA-N 2 1 323.437 -0.469 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=O)N(C)C)CC1 ZINC001570753869 1025733949 /nfs/dbraw/zinc/73/39/49/1025733949.db2.gz RTOXYAMIFFTUOW-AWEZNQCLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)N(C)C)CC1 ZINC001570753869 1025733987 /nfs/dbraw/zinc/73/39/87/1025733987.db2.gz RTOXYAMIFFTUOW-AWEZNQCLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1 ZINC001571333714 1025892995 /nfs/dbraw/zinc/89/29/95/1025892995.db2.gz ZPODSCTXRONHSM-UHFFFAOYSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001571664787 1026138350 /nfs/dbraw/zinc/13/83/50/1026138350.db2.gz WFPPIQWLJMHJKJ-NFOMZHRRSA-N 2 1 320.437 -0.343 20 30 DBEDMP CNC(=O)CCC[NH+](C)CC#CC[N@H+](C)CCCC(=O)NC ZINC000283925890 335008670 /nfs/dbraw/zinc/00/86/70/335008670.db2.gz CKDGLPKXHPZUDM-UHFFFAOYSA-N 2 1 310.442 -0.094 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000297366749 374394940 /nfs/dbraw/zinc/39/49/40/374394940.db2.gz IUGQXQNKMAKSFI-UHFFFAOYSA-N 2 1 323.441 -0.595 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000297366749 374394945 /nfs/dbraw/zinc/39/49/45/374394945.db2.gz IUGQXQNKMAKSFI-UHFFFAOYSA-N 2 1 323.441 -0.595 20 30 DBEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000594437706 375930926 /nfs/dbraw/zinc/93/09/26/375930926.db2.gz DJXOAVISRPJKNO-UONOGXRCSA-N 2 1 321.425 -0.180 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+]2CCC[C@H](C(=O)OC)C2)CC1 ZINC000490759316 392629489 /nfs/dbraw/zinc/62/94/89/392629489.db2.gz CFCSWVIKJRLTIX-AWEZNQCLSA-N 2 1 307.394 -0.351 20 30 DBEDMP C#CCN1CCN(C(=O)CN2CCC[C@H](C(=O)OC)C2)CC1 ZINC000490759316 392629492 /nfs/dbraw/zinc/62/94/92/392629492.db2.gz CFCSWVIKJRLTIX-AWEZNQCLSA-N 2 1 307.394 -0.351 20 30 DBEDMP C[NH+](CC#CC[N@H+](C)[C@@]1(CO)CCOC1)[C@@]1(CO)CCOC1 ZINC000341923246 392987999 /nfs/dbraw/zinc/98/79/99/392987999.db2.gz PCQWZDZDBHVTQP-HZPDHXFCSA-N 2 1 312.410 -0.844 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1=O ZINC000420282587 393591903 /nfs/dbraw/zinc/59/19/03/393591903.db2.gz BRMNYCTUUXHJCC-HUUCEWRRSA-N 2 1 320.437 -0.083 20 30 DBEDMP NC(=O)C[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](CC(N)=O)C2)C1 ZINC000676923109 544882007 /nfs/dbraw/zinc/88/20/07/544882007.db2.gz BQJSQAPYGJQJMK-KBPBESRZSA-N 2 1 306.410 -0.616 20 30 DBEDMP C[NH+]=C(NC[C@H]1CN2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261913850 273481879 /nfs/dbraw/zinc/48/18/79/273481879.db2.gz HVKONJDFIJOJRY-INIZCTEOSA-N 2 1 320.485 -0.222 20 30 DBEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261945716 278167886 /nfs/dbraw/zinc/16/78/86/278167886.db2.gz LBKKXZUYHDOQNM-GOEBONIOSA-N 3 1 320.485 -0.222 20 30 DBEDMP CC[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@H]1CC[N@H+](C2CC2)C1 ZINC000261945716 278167888 /nfs/dbraw/zinc/16/78/88/278167888.db2.gz LBKKXZUYHDOQNM-GOEBONIOSA-N 3 1 320.485 -0.222 20 30 DBEDMP COCC[NH+]1CC[C@H](NC(=O)NC[C@H]2C[N@@H+](C)CCN2C)C1 ZINC000329671574 336036833 /nfs/dbraw/zinc/03/68/33/336036833.db2.gz NGKJXYVQTINDOP-KBPBESRZSA-N 2 1 313.446 -0.544 20 30 DBEDMP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329671574 336036835 /nfs/dbraw/zinc/03/68/35/336036835.db2.gz NGKJXYVQTINDOP-KBPBESRZSA-N 2 1 313.446 -0.544 20 30 DBEDMP COCC[N@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC000329671574 336036837 /nfs/dbraw/zinc/03/68/37/336036837.db2.gz NGKJXYVQTINDOP-KBPBESRZSA-N 2 1 313.446 -0.544 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCn1cc(C(=O)OC)nn1 ZINC000284040606 529073470 /nfs/dbraw/zinc/07/34/70/529073470.db2.gz ORZDFCFUFSHXBK-LLVKDONJSA-N 2 1 323.401 -0.547 20 30 DBEDMP C#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553219 665543082 /nfs/dbraw/zinc/54/30/82/665543082.db2.gz GVTDWMXLFOAFDV-UEIJKTBSSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553219 665543083 /nfs/dbraw/zinc/54/30/83/665543083.db2.gz GVTDWMXLFOAFDV-UEIJKTBSSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[NH+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@@H]2C1 ZINC000978553219 665543084 /nfs/dbraw/zinc/54/30/84/665543084.db2.gz GVTDWMXLFOAFDV-UEIJKTBSSA-N 2 1 315.417 -0.223 20 30 DBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676168 664235884 /nfs/dbraw/zinc/23/58/84/664235884.db2.gz CKNZCFAZHYPYEO-CABCVRRESA-N 2 1 303.410 -0.021 20 30 DBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676168 664235888 /nfs/dbraw/zinc/23/58/88/664235888.db2.gz CKNZCFAZHYPYEO-CABCVRRESA-N 2 1 303.410 -0.021 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@H+]1CC)C1CC[NH+](C)CC1 ZINC000910888078 674650960 /nfs/dbraw/zinc/65/09/60/674650960.db2.gz XCEICJWDPUXPKP-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN(C(=O)C(=O)NC[C@@H]1CC[N@@H+]1CC)C1CC[NH+](C)CC1 ZINC000910888078 674650963 /nfs/dbraw/zinc/65/09/63/674650963.db2.gz XCEICJWDPUXPKP-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N1CCO[C@H](COC)C1 ZINC000261755708 670842821 /nfs/dbraw/zinc/84/28/21/670842821.db2.gz CNSJDZYDRMDCQC-KGLIPLIRSA-N 2 1 313.446 -0.845 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[N@@H+](C)CCN1C)N[C@@H]1C[NH+](C2CC2)C[C@H]1C ZINC000261960977 671154380 /nfs/dbraw/zinc/15/43/80/671154380.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 3 1 322.501 -0.120 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000261960977 671154394 /nfs/dbraw/zinc/15/43/94/671154394.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 3 1 322.501 -0.120 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+](C)CCN1C)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261960977 671154402 /nfs/dbraw/zinc/15/44/02/671154402.db2.gz KDLHYHATUFVULJ-FVQBIDKESA-N 3 1 322.501 -0.120 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983903851 671292785 /nfs/dbraw/zinc/29/27/85/671292785.db2.gz GXHNCZBZVJRSSW-AJNGGQMLSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H]2CCNC2=O)C1 ZINC000983903851 671292790 /nfs/dbraw/zinc/29/27/90/671292790.db2.gz GXHNCZBZVJRSSW-AJNGGQMLSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CCO)CC1 ZINC001029597173 671470138 /nfs/dbraw/zinc/47/01/38/671470138.db2.gz KWGMVOQYBVGGPV-IYBDPMFKSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001031857075 677637750 /nfs/dbraw/zinc/63/77/50/677637750.db2.gz PYKNRHUZQZXRIT-GNHJJJEISA-N 2 1 303.406 -0.079 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(N)=O)C[C@H]2C)CC1 ZINC000945180806 678144355 /nfs/dbraw/zinc/14/43/55/678144355.db2.gz LVIKPGAQNPMAJP-HIFRSBDPSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(N)=O)C[C@H]2C)CC1 ZINC000945180806 678144357 /nfs/dbraw/zinc/14/43/57/678144357.db2.gz LVIKPGAQNPMAJP-HIFRSBDPSA-N 2 1 320.437 -0.357 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](CC)C(N)=O)CC1 ZINC000996683445 678279393 /nfs/dbraw/zinc/27/93/93/678279393.db2.gz CTBPFKUDOUBECJ-CABCVRRESA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](CC)C(N)=O)CC1 ZINC000996683445 678279394 /nfs/dbraw/zinc/27/93/94/678279394.db2.gz CTBPFKUDOUBECJ-CABCVRRESA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996687487 678280130 /nfs/dbraw/zinc/28/01/30/678280130.db2.gz WWMFAFOIPOXBDO-GJZGRUSLSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000996687487 678280134 /nfs/dbraw/zinc/28/01/34/678280134.db2.gz WWMFAFOIPOXBDO-GJZGRUSLSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)CCOCCO)CC1 ZINC000922121173 679017254 /nfs/dbraw/zinc/01/72/54/679017254.db2.gz OUNBSKTYODQLRD-UHFFFAOYSA-N 2 1 311.426 -0.612 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000851661361 805923370 /nfs/dbraw/zinc/92/33/70/805923370.db2.gz IKNVCVNPTHQCAL-UHFFFAOYSA-N 2 1 306.370 -0.605 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316619576 805969623 /nfs/dbraw/zinc/96/96/23/805969623.db2.gz JGIRHTVGQFKGSE-APIJFGDWSA-N 2 1 320.437 -0.297 20 30 DBEDMP C[N@@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC(=O)NCC#N ZINC001316832876 806001659 /nfs/dbraw/zinc/00/16/59/806001659.db2.gz IDYSNEJYYFCCDR-UHFFFAOYSA-N 2 1 321.425 -0.307 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001316865052 806014900 /nfs/dbraw/zinc/01/49/00/806014900.db2.gz FKQZVBIIBNCJIP-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001316865052 806014910 /nfs/dbraw/zinc/01/49/10/806014910.db2.gz FKQZVBIIBNCJIP-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001316865060 806016075 /nfs/dbraw/zinc/01/60/75/806016075.db2.gz FKQZVBIIBNCJIP-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001316865060 806016084 /nfs/dbraw/zinc/01/60/84/806016084.db2.gz FKQZVBIIBNCJIP-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC1 ZINC001317030703 806072913 /nfs/dbraw/zinc/07/29/13/806072913.db2.gz WLUQOXHZCJCBCI-HIFRSBDPSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317081285 806085153 /nfs/dbraw/zinc/08/51/53/806085153.db2.gz AOJZEGXKQXCTJF-KKUMJFAQSA-N 2 1 309.410 -0.670 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCOCCO)C1 ZINC001317081285 806085160 /nfs/dbraw/zinc/08/51/60/806085160.db2.gz AOJZEGXKQXCTJF-KKUMJFAQSA-N 2 1 309.410 -0.670 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317092436 806087338 /nfs/dbraw/zinc/08/73/38/806087338.db2.gz IBGMBXXWJYJJJN-AAVRWANBSA-N 2 1 308.426 -0.134 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001317092438 806087623 /nfs/dbraw/zinc/08/76/23/806087623.db2.gz IBGMBXXWJYJJJN-XJFOESAGSA-N 2 1 308.426 -0.134 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001317115103 806090583 /nfs/dbraw/zinc/09/05/83/806090583.db2.gz JPCREYKSJBZNMV-HZSPNIEDSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001317293144 806125196 /nfs/dbraw/zinc/12/51/96/806125196.db2.gz YSDWHMASBFCDAX-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001317337019 806135489 /nfs/dbraw/zinc/13/54/89/806135489.db2.gz APMCBWWAWYSFKH-AWEZNQCLSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317381056 806141086 /nfs/dbraw/zinc/14/10/86/806141086.db2.gz JSGZOKITABBKRN-OAHLLOKOSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001317381056 806141089 /nfs/dbraw/zinc/14/10/89/806141089.db2.gz JSGZOKITABBKRN-OAHLLOKOSA-N 2 1 320.437 -0.246 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001317383878 806142155 /nfs/dbraw/zinc/14/21/55/806142155.db2.gz QHYQSGIEOBYDCQ-KGLIPLIRSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001317383878 806142159 /nfs/dbraw/zinc/14/21/59/806142159.db2.gz QHYQSGIEOBYDCQ-KGLIPLIRSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001317392707 806143298 /nfs/dbraw/zinc/14/32/98/806143298.db2.gz FFYFIVLZCINAQO-UONOGXRCSA-N 2 1 323.441 -0.017 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1cc[nH+]c1C ZINC001317662099 806221296 /nfs/dbraw/zinc/22/12/96/806221296.db2.gz UNZJGRXWQKRXJU-GFCCVEGCSA-N 2 1 307.398 -0.070 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318365727 806289284 /nfs/dbraw/zinc/28/92/84/806289284.db2.gz KESQWJCJWLROIQ-UONOGXRCSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001318365727 806289293 /nfs/dbraw/zinc/28/92/93/806289293.db2.gz KESQWJCJWLROIQ-UONOGXRCSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422780 806296917 /nfs/dbraw/zinc/29/69/17/806296917.db2.gz BIWUSHMVTNPSKO-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422780 806296923 /nfs/dbraw/zinc/29/69/23/806296923.db2.gz BIWUSHMVTNPSKO-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001318443099 806301007 /nfs/dbraw/zinc/30/10/07/806301007.db2.gz RCSQFXTZOICOCN-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001318443099 806301014 /nfs/dbraw/zinc/30/10/14/806301014.db2.gz RCSQFXTZOICOCN-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443099 806301021 /nfs/dbraw/zinc/30/10/21/806301021.db2.gz RCSQFXTZOICOCN-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001318443099 806301029 /nfs/dbraw/zinc/30/10/29/806301029.db2.gz RCSQFXTZOICOCN-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318484145 806305445 /nfs/dbraw/zinc/30/54/45/806305445.db2.gz VNIAIPCRNSZSDB-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C1 ZINC001318484145 806305454 /nfs/dbraw/zinc/30/54/54/806305454.db2.gz VNIAIPCRNSZSDB-CQSZACIVSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001318561232 806311916 /nfs/dbraw/zinc/31/19/16/806311916.db2.gz HBNYPHBJABBMCR-SOUVJXGZSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001319194582 806352541 /nfs/dbraw/zinc/35/25/41/806352541.db2.gz CJWHNRNTJNKUKD-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)N1CCC1 ZINC001319194582 806352551 /nfs/dbraw/zinc/35/25/51/806352551.db2.gz CJWHNRNTJNKUKD-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001319473911 806382957 /nfs/dbraw/zinc/38/29/57/806382957.db2.gz WCOLSKXBHZEWMW-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321095353 806570573 /nfs/dbraw/zinc/57/05/73/806570573.db2.gz BQPYWADSAOOWGC-BWPKMQGJSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N1CCC1 ZINC001321095353 806570579 /nfs/dbraw/zinc/57/05/79/806570579.db2.gz BQPYWADSAOOWGC-BWPKMQGJSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321095354 806570622 /nfs/dbraw/zinc/57/06/22/806570622.db2.gz BQPYWADSAOOWGC-JZIMQPMSSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)N1CCC1 ZINC001321095354 806570627 /nfs/dbraw/zinc/57/06/27/806570627.db2.gz BQPYWADSAOOWGC-JZIMQPMSSA-N 2 1 318.421 -0.422 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001321755265 806667063 /nfs/dbraw/zinc/66/70/63/806667063.db2.gz BFBNLTCGEZPNEV-OLZOCXBDSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001321756834 806667226 /nfs/dbraw/zinc/66/72/26/806667226.db2.gz RDAMDLWYHALVOF-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001321950191 806692048 /nfs/dbraw/zinc/69/20/48/806692048.db2.gz UPNUBQLSFWOPSI-MELADBBJSA-N 2 1 308.426 -0.038 20 30 DBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000876808214 806807277 /nfs/dbraw/zinc/80/72/77/806807277.db2.gz OYLKBFYRNXSAHG-RYUDHWBXSA-N 2 1 314.817 -0.121 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112043 806825501 /nfs/dbraw/zinc/82/55/01/806825501.db2.gz GBTWUFRCYXBFIS-CVEARBPZSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C[NH2+]CC#CCOC)C2CC2)C1 ZINC001323112043 806825509 /nfs/dbraw/zinc/82/55/09/806825509.db2.gz GBTWUFRCYXBFIS-CVEARBPZSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001324097175 806943809 /nfs/dbraw/zinc/94/38/09/806943809.db2.gz HZQWOWZBRPTIRD-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001324212156 806952507 /nfs/dbraw/zinc/95/25/07/806952507.db2.gz CTMYYQHAIUKWHD-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC001324420023 806972887 /nfs/dbraw/zinc/97/28/87/806972887.db2.gz IWWZYHZIZOUZNP-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001324420024 806972962 /nfs/dbraw/zinc/97/29/62/806972962.db2.gz IWWZYHZIZOUZNP-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@H+](C)CCC)C1 ZINC001278418207 803789269 /nfs/dbraw/zinc/78/92/69/803789269.db2.gz ZFYIKAGBGJZCPO-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001278568243 803800308 /nfs/dbraw/zinc/80/03/08/803800308.db2.gz VAWRWPPPNTVJLB-INIZCTEOSA-N 2 1 323.441 -0.204 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)NC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000104172539 803804027 /nfs/dbraw/zinc/80/40/27/803804027.db2.gz MPYITRQLSYDQOW-AWEZNQCLSA-N 2 1 309.458 -0.032 20 30 DBEDMP [NH2+]=C(NCCCO[C@@H]1CCOC1)NCCC[NH+]1CCOCC1 ZINC000134042317 803816449 /nfs/dbraw/zinc/81/64/49/803816449.db2.gz UCIMGSCQBUVXPN-CQSZACIVSA-N 2 1 314.430 -0.191 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001278803603 803833104 /nfs/dbraw/zinc/83/31/04/803833104.db2.gz BSUJPSYYPKUWNV-CYBMUJFWSA-N 2 1 320.393 -0.074 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCN1CCN(C(C)=O)CC1 ZINC000303878267 803835891 /nfs/dbraw/zinc/83/58/91/803835891.db2.gz FWOYHBIQCLYUOV-HNNXBMFYSA-N 2 1 324.473 -0.461 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)NS(C)(=O)=O ZINC000304760558 803837610 /nfs/dbraw/zinc/83/76/10/803837610.db2.gz SNLZNXKBOSFQCG-LLVKDONJSA-N 2 1 319.475 -0.297 20 30 DBEDMP C#CCNC(=O)CN(C)CCN(C(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001278914214 803861101 /nfs/dbraw/zinc/86/11/01/803861101.db2.gz CLOSQZGWGXTOGT-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@]2(CO)CCC[N@H+](CCO)C2)CC1 ZINC001279531206 803898712 /nfs/dbraw/zinc/89/87/12/803898712.db2.gz ZPMXWZMUDOUNDF-KRWDZBQOSA-N 2 1 323.437 -0.733 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCC2=CCN(CC(=O)NCC#N)CC2)C1 ZINC001279687910 803910347 /nfs/dbraw/zinc/91/03/47/803910347.db2.gz SMZVKIYPAGFEGA-AWEZNQCLSA-N 2 1 319.409 -0.674 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC(=O)NCC#N)CCC2)C1 ZINC001280534195 803972653 /nfs/dbraw/zinc/97/26/53/803972653.db2.gz RNWTWSOFKYUIRP-CYBMUJFWSA-N 2 1 321.425 -0.404 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001280884319 804032193 /nfs/dbraw/zinc/03/21/93/804032193.db2.gz ZFIDLWZIMICGAJ-GJZGRUSLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001280884319 804032200 /nfs/dbraw/zinc/03/22/00/804032200.db2.gz ZFIDLWZIMICGAJ-GJZGRUSLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001280884319 804032209 /nfs/dbraw/zinc/03/22/09/804032209.db2.gz ZFIDLWZIMICGAJ-GJZGRUSLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001281328486 804153669 /nfs/dbraw/zinc/15/36/69/804153669.db2.gz TXTSXITUYFAQLW-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001281328486 804153672 /nfs/dbraw/zinc/15/36/72/804153672.db2.gz TXTSXITUYFAQLW-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001281603242 804194954 /nfs/dbraw/zinc/19/49/54/804194954.db2.gz HUCOCQMEUGCVCP-AWEZNQCLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001281603242 804194961 /nfs/dbraw/zinc/19/49/61/804194961.db2.gz HUCOCQMEUGCVCP-AWEZNQCLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@@H+](C)CCC)C1 ZINC001282739269 804309431 /nfs/dbraw/zinc/30/94/31/804309431.db2.gz TUHKZLBSIALOIJ-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)C[N@H+](C)CCC)C1 ZINC001282739269 804309439 /nfs/dbraw/zinc/30/94/39/804309439.db2.gz TUHKZLBSIALOIJ-KBPBESRZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@H](C)N(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001283983951 804617526 /nfs/dbraw/zinc/61/75/26/804617526.db2.gz AMCBMAGSWWJRAK-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001284246093 804666820 /nfs/dbraw/zinc/66/68/20/804666820.db2.gz NACDORQXGAOSAV-KBPBESRZSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001284449046 804710284 /nfs/dbraw/zinc/71/02/84/804710284.db2.gz ZHLLRPUFCYCVKR-ZFWWWQNUSA-N 2 1 304.394 -0.204 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001284591305 804744737 /nfs/dbraw/zinc/74/47/37/804744737.db2.gz DDLFRLCNLGIDLZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H](CC)[NH+](C)C ZINC001284591305 804744739 /nfs/dbraw/zinc/74/47/39/804744739.db2.gz DDLFRLCNLGIDLZ-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959725 804810415 /nfs/dbraw/zinc/81/04/15/804810415.db2.gz NHCRWXLBLXCBFM-CQSZACIVSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001284959725 804810419 /nfs/dbraw/zinc/81/04/19/804810419.db2.gz NHCRWXLBLXCBFM-CQSZACIVSA-N 2 1 320.437 -0.176 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001325152630 807042350 /nfs/dbraw/zinc/04/23/50/807042350.db2.gz AREBXQLMGIAZQN-INIZCTEOSA-N 2 1 311.426 -0.469 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001325160048 807043039 /nfs/dbraw/zinc/04/30/39/807043039.db2.gz JHFPVZZCTYPKAJ-GDBMZVCRSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001325160048 807043046 /nfs/dbraw/zinc/04/30/46/807043046.db2.gz JHFPVZZCTYPKAJ-GDBMZVCRSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001325160048 807043053 /nfs/dbraw/zinc/04/30/53/807043053.db2.gz JHFPVZZCTYPKAJ-GDBMZVCRSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325160740 807043745 /nfs/dbraw/zinc/04/37/45/807043745.db2.gz LAJORFYXIMQUQP-INIZCTEOSA-N 2 1 309.410 -0.715 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001325580421 807082524 /nfs/dbraw/zinc/08/25/24/807082524.db2.gz GGAAWOWBRGFNLU-UONOGXRCSA-N 2 1 323.441 -0.348 20 30 DBEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001325794167 807104505 /nfs/dbraw/zinc/10/45/05/807104505.db2.gz ITVUBSPVLOIVQL-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP CC#CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001325794167 807104509 /nfs/dbraw/zinc/10/45/09/807104509.db2.gz ITVUBSPVLOIVQL-MRXNPFEDSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001327554808 807302372 /nfs/dbraw/zinc/30/23/72/807302372.db2.gz LJHBHBFRFIVBHP-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001327554808 807302380 /nfs/dbraw/zinc/30/23/80/807302380.db2.gz LJHBHBFRFIVBHP-GDBMZVCRSA-N 2 1 309.410 -0.717 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001328205666 807392662 /nfs/dbraw/zinc/39/26/62/807392662.db2.gz OQOMRZDPTQOANG-UHFFFAOYSA-N 2 1 323.437 -0.325 20 30 DBEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001328268460 807403469 /nfs/dbraw/zinc/40/34/69/807403469.db2.gz UNKOMYUWDVLFPF-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001328268460 807403471 /nfs/dbraw/zinc/40/34/71/807403471.db2.gz UNKOMYUWDVLFPF-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)CC[NH2+][C@H]1CCc2c([nH+]c(C)n2CCO)C1 ZINC001329433997 807564682 /nfs/dbraw/zinc/56/46/82/807564682.db2.gz USIPHLLGXGGXGN-ZDUSSCGKSA-N 2 1 304.394 -0.230 20 30 DBEDMP C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)C1CN(CC(=O)NCC#N)C1 ZINC001329996610 807655609 /nfs/dbraw/zinc/65/56/09/807655609.db2.gz DQWCHJOZGGXOLP-YRGRVCCFSA-N 2 1 321.425 -0.597 20 30 DBEDMP COCC#CC[NH2+][C@@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001331788967 807833180 /nfs/dbraw/zinc/83/31/80/807833180.db2.gz DKCIGXBTGCTUOJ-CQSZACIVSA-N 2 1 322.409 -0.277 20 30 DBEDMP C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958076361 809760287 /nfs/dbraw/zinc/76/02/87/809760287.db2.gz DVJSNQSIWVQUCV-DZGCQCFKSA-N 2 1 319.409 -0.900 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000958077586 809760833 /nfs/dbraw/zinc/76/08/33/809760833.db2.gz WQNYHJMDIAMTMN-ZFWWWQNUSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000958171504 809793948 /nfs/dbraw/zinc/79/39/48/809793948.db2.gz JREDDMNQPMTYJL-LSDHHAIUSA-N 2 1 305.422 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000968954803 811520288 /nfs/dbraw/zinc/52/02/88/811520288.db2.gz SANUXTSEWWXFMU-HIFRSBDPSA-N 2 1 316.409 -0.397 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000968954803 811520296 /nfs/dbraw/zinc/52/02/96/811520296.db2.gz SANUXTSEWWXFMU-HIFRSBDPSA-N 2 1 316.409 -0.397 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC000968956707 811521849 /nfs/dbraw/zinc/52/18/49/811521849.db2.gz UXDHYBHQNRANKO-RDBSUJKOSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC000968956707 811521855 /nfs/dbraw/zinc/52/18/55/811521855.db2.gz UXDHYBHQNRANKO-RDBSUJKOSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC000968956265 811521914 /nfs/dbraw/zinc/52/19/14/811521914.db2.gz HHXCDSIRUMRVQK-ILXRZTDVSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC000968956265 811521918 /nfs/dbraw/zinc/52/19/18/811521918.db2.gz HHXCDSIRUMRVQK-ILXRZTDVSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016336915 813652619 /nfs/dbraw/zinc/65/26/19/813652619.db2.gz OKNWKXHSUNUUEB-HUUCEWRRSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001016336915 813652623 /nfs/dbraw/zinc/65/26/23/813652623.db2.gz OKNWKXHSUNUUEB-HUUCEWRRSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001016335886 813653197 /nfs/dbraw/zinc/65/31/97/813653197.db2.gz HAJCIDVXGGGNGA-LSDHHAIUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](CC)C(N)=O)C2)CC1 ZINC001016335886 813653200 /nfs/dbraw/zinc/65/32/00/813653200.db2.gz HAJCIDVXGGGNGA-LSDHHAIUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046014513 816720391 /nfs/dbraw/zinc/72/03/91/816720391.db2.gz YSDYFLJVAJOJBF-CVEARBPZSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046014513 816720397 /nfs/dbraw/zinc/72/03/97/816720397.db2.gz YSDYFLJVAJOJBF-CVEARBPZSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014513 816720402 /nfs/dbraw/zinc/72/04/02/816720402.db2.gz YSDYFLJVAJOJBF-CVEARBPZSA-N 2 1 322.453 -0.279 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046014513 816720406 /nfs/dbraw/zinc/72/04/06/816720406.db2.gz YSDYFLJVAJOJBF-CVEARBPZSA-N 2 1 322.453 -0.279 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001047500133 817170409 /nfs/dbraw/zinc/17/04/09/817170409.db2.gz YZNJSAJCCXSWKC-JYJNAYRXSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001047500133 817170412 /nfs/dbraw/zinc/17/04/12/817170412.db2.gz YZNJSAJCCXSWKC-JYJNAYRXSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047500133 817170416 /nfs/dbraw/zinc/17/04/16/817170416.db2.gz YZNJSAJCCXSWKC-JYJNAYRXSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001047500133 817170420 /nfs/dbraw/zinc/17/04/20/817170420.db2.gz YZNJSAJCCXSWKC-JYJNAYRXSA-N 2 1 323.437 -0.378 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001047638478 817247618 /nfs/dbraw/zinc/24/76/18/817247618.db2.gz UQDZIUMGHBOLEJ-HOTGVXAUSA-N 2 1 303.406 -0.532 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC[NH+](CC#C)CC2)C1 ZINC001047638478 817247624 /nfs/dbraw/zinc/24/76/24/817247624.db2.gz UQDZIUMGHBOLEJ-HOTGVXAUSA-N 2 1 303.406 -0.532 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[N@@H+](CC(N)=O)C[C@@H]3C2)CC1 ZINC001049235853 817568963 /nfs/dbraw/zinc/56/89/63/817568963.db2.gz XPUGGLHPVIMKQK-GASCZTMLSA-N 2 1 318.421 -0.793 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001054296179 818100034 /nfs/dbraw/zinc/10/00/34/818100034.db2.gz KINLOUXLNWXSOB-ILXRZTDVSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](CC)C(N)=O)C1 ZINC001054296179 818100040 /nfs/dbraw/zinc/10/00/40/818100040.db2.gz KINLOUXLNWXSOB-ILXRZTDVSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]3C[N@H+](CCO)C[C@H]32)CC1 ZINC001076605646 821783732 /nfs/dbraw/zinc/78/37/32/821783732.db2.gz LKKMKWWOKHSNHT-JKSUJKDBSA-N 2 1 305.422 -0.143 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)C1 ZINC001077566510 822153959 /nfs/dbraw/zinc/15/39/59/822153959.db2.gz DMEBWYKQJKEIRW-KFWWJZLASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001077566510 822153962 /nfs/dbraw/zinc/15/39/62/822153962.db2.gz DMEBWYKQJKEIRW-KFWWJZLASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566510 822153963 /nfs/dbraw/zinc/15/39/63/822153963.db2.gz DMEBWYKQJKEIRW-KFWWJZLASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)C1 ZINC001077566510 822153965 /nfs/dbraw/zinc/15/39/65/822153965.db2.gz DMEBWYKQJKEIRW-KFWWJZLASA-N 2 1 311.426 -0.167 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959499 824381964 /nfs/dbraw/zinc/38/19/64/824381964.db2.gz KVLKRJLKOLNJLD-VXSWHIBVSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959499 824381970 /nfs/dbraw/zinc/38/19/70/824381970.db2.gz KVLKRJLKOLNJLD-VXSWHIBVSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959499 824381978 /nfs/dbraw/zinc/38/19/78/824381978.db2.gz KVLKRJLKOLNJLD-VXSWHIBVSA-N 2 1 321.421 -0.149 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@H](OC)C1 ZINC001081959499 824381984 /nfs/dbraw/zinc/38/19/84/824381984.db2.gz KVLKRJLKOLNJLD-VXSWHIBVSA-N 2 1 321.421 -0.149 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410377 828689477 /nfs/dbraw/zinc/68/94/77/828689477.db2.gz UVWNMMYPWCDINH-XNISGKROSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114410377 828689479 /nfs/dbraw/zinc/68/94/79/828689479.db2.gz UVWNMMYPWCDINH-XNISGKROSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](C)OC)C[C@@H]2O)CC1 ZINC001084090065 824887775 /nfs/dbraw/zinc/88/77/75/824887775.db2.gz ILVGVVWFQBPHNS-BMFZPTHFSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009761 825314120 /nfs/dbraw/zinc/31/41/20/825314120.db2.gz XFUQINQMKLZXGV-VNQPRFMTSA-N 2 1 315.421 -0.111 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115126157 828790349 /nfs/dbraw/zinc/79/03/49/828790349.db2.gz JDMOAYFFLODZBF-FOLVSLTJSA-N 2 1 311.426 -0.186 20 30 DBEDMP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1[nH]cnc1C ZINC001115170145 828797236 /nfs/dbraw/zinc/79/72/36/828797236.db2.gz MJXMEUQFSYVJCN-VIKVFOODSA-N 2 1 302.378 -0.043 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090273151 825617467 /nfs/dbraw/zinc/61/74/67/825617467.db2.gz SBMAGSNPMOLBKR-DZGCQCFKSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC001090273151 825617470 /nfs/dbraw/zinc/61/74/70/825617470.db2.gz SBMAGSNPMOLBKR-DZGCQCFKSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)C(C)C ZINC001115300748 828825783 /nfs/dbraw/zinc/82/57/83/828825783.db2.gz YUYYUNGFKZDWRP-NYTXWWLZSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300748 828825790 /nfs/dbraw/zinc/82/57/90/828825790.db2.gz YUYYUNGFKZDWRP-NYTXWWLZSA-N 2 1 320.437 -0.489 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)C(C)C ZINC001115300748 828825802 /nfs/dbraw/zinc/82/58/02/828825802.db2.gz YUYYUNGFKZDWRP-NYTXWWLZSA-N 2 1 320.437 -0.489 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001274034278 833009281 /nfs/dbraw/zinc/00/92/81/833009281.db2.gz CJBILLDRSUHACN-OQOSRZTISA-N 2 1 321.425 -0.382 20 30 DBEDMP C[NH+](C)Cc1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)no1 ZINC001161547397 833033915 /nfs/dbraw/zinc/03/39/15/833033915.db2.gz LDHHAIWTHRZZOB-UHFFFAOYSA-N 2 1 322.369 -0.915 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C/C[NH2+]CC(=O)NCC#N)C1 ZINC001274371588 833069097 /nfs/dbraw/zinc/06/90/97/833069097.db2.gz XTGCGXYYQZMZCJ-YWVDXFKGSA-N 2 1 307.398 -0.770 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879556 826708975 /nfs/dbraw/zinc/70/89/75/826708975.db2.gz LYLYYYMAJSQVQB-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879556 826708960 /nfs/dbraw/zinc/70/89/60/826708960.db2.gz LYLYYYMAJSQVQB-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879556 826708966 /nfs/dbraw/zinc/70/89/66/826708966.db2.gz LYLYYYMAJSQVQB-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879556 826708973 /nfs/dbraw/zinc/70/89/73/826708973.db2.gz LYLYYYMAJSQVQB-CVEARBPZSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879558 826708994 /nfs/dbraw/zinc/70/89/94/826708994.db2.gz LYLYYYMAJSQVQB-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@H](O)C1 ZINC001099879558 826708999 /nfs/dbraw/zinc/70/89/99/826708999.db2.gz LYLYYYMAJSQVQB-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879558 826709004 /nfs/dbraw/zinc/70/90/04/826709004.db2.gz LYLYYYMAJSQVQB-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@H](O)C1 ZINC001099879558 826709008 /nfs/dbraw/zinc/70/90/08/826709008.db2.gz LYLYYYMAJSQVQB-HZPDHXFCSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(CCN(CC[NH+](C)C)C2=O)C1 ZINC001274553787 833096677 /nfs/dbraw/zinc/09/66/77/833096677.db2.gz AOFWZXXKHMUDJS-NVXWUHKLSA-N 2 1 323.437 -0.517 20 30 DBEDMP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CC[NH+](C)C)C2=O ZINC001274555708 833098481 /nfs/dbraw/zinc/09/84/81/833098481.db2.gz ZFQYFEXIUNCNTE-NVXWUHKLSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100049281 826795650 /nfs/dbraw/zinc/79/56/50/826795650.db2.gz ZWOYYEAPKNQCTR-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100049281 826795658 /nfs/dbraw/zinc/79/56/58/826795658.db2.gz ZWOYYEAPKNQCTR-GJZGRUSLSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC#CC[N@H+]1CC[C@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100050060 826797519 /nfs/dbraw/zinc/79/75/19/826797519.db2.gz BLHDFVNABZSLRQ-HOTGVXAUSA-N 2 1 323.437 -0.328 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056522 826803427 /nfs/dbraw/zinc/80/34/27/826803427.db2.gz WACIGWDQRVPGEN-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074159 826827509 /nfs/dbraw/zinc/82/75/09/826827509.db2.gz JTFAFMKEYCUVSX-GJZGRUSLSA-N 2 1 323.437 -0.164 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](O)C1 ZINC001100109483 826859657 /nfs/dbraw/zinc/85/96/57/826859657.db2.gz GEGLRCYVTOJMSH-LSDHHAIUSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644172 833115023 /nfs/dbraw/zinc/11/50/23/833115023.db2.gz OCUSZQBEAIGAHH-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]1C ZINC001274644172 833115025 /nfs/dbraw/zinc/11/50/25/833115025.db2.gz OCUSZQBEAIGAHH-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644171 833115225 /nfs/dbraw/zinc/11/52/25/833115225.db2.gz OCUSZQBEAIGAHH-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]1C ZINC001274644171 833115229 /nfs/dbraw/zinc/11/52/29/833115229.db2.gz OCUSZQBEAIGAHH-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100458901 826968540 /nfs/dbraw/zinc/96/85/40/826968540.db2.gz LTBDYVNHRYCYRP-UHFFFAOYSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)Cn2c[nH+]cc2C)C1 ZINC001100509636 826977097 /nfs/dbraw/zinc/97/70/97/826977097.db2.gz QPJYYSCRFXOWHJ-UHFFFAOYSA-N 2 1 317.393 -0.575 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC001100675853 826999191 /nfs/dbraw/zinc/99/91/91/826999191.db2.gz AOLGHKXODVYTMI-NFOMZHRRSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@@H]1CCC[N@H+]1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100673870 826999419 /nfs/dbraw/zinc/99/94/19/826999419.db2.gz CNDFZHIBUCDUAG-IYXRBSQSSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001100675854 826999680 /nfs/dbraw/zinc/99/96/80/826999680.db2.gz AOLGHKXODVYTMI-WLYUNCDWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001100678724 827000216 /nfs/dbraw/zinc/00/02/16/827000216.db2.gz VFXKYXLRADPPFX-WLYUNCDWSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001100678723 827001054 /nfs/dbraw/zinc/00/10/54/827001054.db2.gz VFXKYXLRADPPFX-NFOMZHRRSA-N 2 1 320.437 -0.438 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100982238 827058854 /nfs/dbraw/zinc/05/88/54/827058854.db2.gz PFVSKBZPRSBHGQ-CPCZMJQVSA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001101036284 827065420 /nfs/dbraw/zinc/06/54/20/827065420.db2.gz MEVWSIGHRFJPMX-UHFFFAOYSA-N 2 1 308.426 -0.440 20 30 DBEDMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101351075 827100505 /nfs/dbraw/zinc/10/05/05/827100505.db2.gz RUKFBUZENPUJCJ-CJNGLKHVSA-N 2 1 321.425 -0.642 20 30 DBEDMP C[NH+](C)CCC(=O)N1C[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@@]2(C)C1 ZINC001101351075 827100509 /nfs/dbraw/zinc/10/05/09/827100509.db2.gz RUKFBUZENPUJCJ-CJNGLKHVSA-N 2 1 321.425 -0.642 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001275094104 833150791 /nfs/dbraw/zinc/15/07/91/833150791.db2.gz LVDBVUGPFCBNTN-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001275094104 833150793 /nfs/dbraw/zinc/15/07/93/833150793.db2.gz LVDBVUGPFCBNTN-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275094104 833150799 /nfs/dbraw/zinc/15/07/99/833150799.db2.gz LVDBVUGPFCBNTN-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001275094104 833150803 /nfs/dbraw/zinc/15/08/03/833150803.db2.gz LVDBVUGPFCBNTN-KGLIPLIRSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001275184457 833156596 /nfs/dbraw/zinc/15/65/96/833156596.db2.gz BKZPHJGLXMUMRP-ZNMIVQPWSA-N 2 1 318.421 -0.684 20 30 DBEDMP CCC[N@@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001102524352 827218466 /nfs/dbraw/zinc/21/84/66/827218466.db2.gz BESRRUXAUANMAE-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102524352 827218474 /nfs/dbraw/zinc/21/84/74/827218474.db2.gz BESRRUXAUANMAE-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102524352 827218481 /nfs/dbraw/zinc/21/84/81/827218481.db2.gz BESRRUXAUANMAE-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578313 827226714 /nfs/dbraw/zinc/22/67/14/827226714.db2.gz VRDAEZCJSLAUPE-RBSFLKMASA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578313 827226721 /nfs/dbraw/zinc/22/67/21/827226721.db2.gz VRDAEZCJSLAUPE-RBSFLKMASA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578313 827226729 /nfs/dbraw/zinc/22/67/29/827226729.db2.gz VRDAEZCJSLAUPE-RBSFLKMASA-N 2 1 320.437 -0.628 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CC[NH+](C)C ZINC001103396719 827285539 /nfs/dbraw/zinc/28/55/39/827285539.db2.gz GHLMDHCUBPZASL-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163941106 833183791 /nfs/dbraw/zinc/18/37/91/833183791.db2.gz YANLGMSBJRUQKU-HNNXBMFYSA-N 2 1 323.437 -0.157 20 30 DBEDMP COCC#CC[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941106 833183795 /nfs/dbraw/zinc/18/37/95/833183795.db2.gz YANLGMSBJRUQKU-HNNXBMFYSA-N 2 1 323.437 -0.157 20 30 DBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)nn1 ZINC001105372528 827441272 /nfs/dbraw/zinc/44/12/72/827441272.db2.gz LFUYLXULFGVQHG-LBPRGKRZSA-N 2 1 304.398 -0.111 20 30 DBEDMP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372528 827441277 /nfs/dbraw/zinc/44/12/77/827441277.db2.gz LFUYLXULFGVQHG-LBPRGKRZSA-N 2 1 304.398 -0.111 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001164449024 833210781 /nfs/dbraw/zinc/21/07/81/833210781.db2.gz AUOUMFKAGNESFF-HNNXBMFYSA-N 2 1 322.453 -0.046 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@H]1C ZINC001105941628 827565675 /nfs/dbraw/zinc/56/56/75/827565675.db2.gz FMOUKVSZXSIYAU-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106266312 827645832 /nfs/dbraw/zinc/64/58/32/827645832.db2.gz BXMVASAQISHCEO-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC)[C@H](C)C1 ZINC001106266312 827645839 /nfs/dbraw/zinc/64/58/39/827645839.db2.gz BXMVASAQISHCEO-KFWWJZLASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001106981088 827689575 /nfs/dbraw/zinc/68/95/75/827689575.db2.gz GBPQGHOXYVSIFC-RBSFLKMASA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626877 833276618 /nfs/dbraw/zinc/27/66/18/833276618.db2.gz LIZCLIXSORBKEW-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP N#Cc1c2c(cnc1N1CC[NH2+][C@@H](C(N)=O)C1)C[NH2+]CCC2 ZINC001166724656 833279652 /nfs/dbraw/zinc/27/96/52/833279652.db2.gz WIRZFPUEIUCFER-CYBMUJFWSA-N 2 1 300.366 -0.747 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569598 828017793 /nfs/dbraw/zinc/01/77/93/828017793.db2.gz LFLUSTKJCIIITP-ZDUSSCGKSA-N 2 1 306.410 -0.637 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001168023043 833315547 /nfs/dbraw/zinc/31/55/47/833315547.db2.gz SUODBFACIOXZBK-UONOGXRCSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226672 833368104 /nfs/dbraw/zinc/36/81/04/833368104.db2.gz JCHDTTJAONNQQP-ZIAGYGMSSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171731749 833373740 /nfs/dbraw/zinc/37/37/40/833373740.db2.gz OGKNDFGNBRBAHT-AWEZNQCLSA-N 2 1 310.442 -0.048 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)CC[N@H+](C)CCC ZINC001171731750 833373890 /nfs/dbraw/zinc/37/38/90/833373890.db2.gz OGKNDFGNBRBAHT-CQSZACIVSA-N 2 1 310.442 -0.048 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176057058 833399562 /nfs/dbraw/zinc/39/95/62/833399562.db2.gz MLZDNGBJGBTTPI-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176563949 833408895 /nfs/dbraw/zinc/40/88/95/833408895.db2.gz IMIPBZWQQUQPCZ-CABCVRRESA-N 2 1 322.453 -0.048 20 30 DBEDMP C[C@@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563945 833409172 /nfs/dbraw/zinc/40/91/72/833409172.db2.gz IJOVFDRBBSTLLT-UONOGXRCSA-N 2 1 323.441 -0.158 20 30 DBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001176844652 833424258 /nfs/dbraw/zinc/42/42/58/833424258.db2.gz NEWOJFRFNJMRCY-BETUJISGSA-N 2 1 309.414 -0.405 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)C1 ZINC001180182691 833572615 /nfs/dbraw/zinc/57/26/15/833572615.db2.gz KRLSWAIPTDRVRE-HRCADAONSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC#CCOC)[C@@H]2C)C1 ZINC001180182691 833572620 /nfs/dbraw/zinc/57/26/20/833572620.db2.gz KRLSWAIPTDRVRE-HRCADAONSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001127706154 830025077 /nfs/dbraw/zinc/02/50/77/830025077.db2.gz IXCVERPFCDBHOU-HZSPNIEDSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001128787307 830130055 /nfs/dbraw/zinc/13/00/55/830130055.db2.gz ZFBQHJZVPSESDC-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001129328399 830172621 /nfs/dbraw/zinc/17/26/21/830172621.db2.gz PDIGAKAPTYFOJY-LSDHHAIUSA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407687 830179219 /nfs/dbraw/zinc/17/92/19/830179219.db2.gz SZOAXNBIGMFKFR-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407687 830179222 /nfs/dbraw/zinc/17/92/22/830179222.db2.gz SZOAXNBIGMFKFR-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407687 830179225 /nfs/dbraw/zinc/17/92/25/830179225.db2.gz SZOAXNBIGMFKFR-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](n2ccnn2)C1 ZINC001129407687 830179229 /nfs/dbraw/zinc/17/92/29/830179229.db2.gz SZOAXNBIGMFKFR-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129436411 830181724 /nfs/dbraw/zinc/18/17/24/830181724.db2.gz PIGAUNJGJSDNKG-STQMWFEESA-N 2 1 317.393 -0.396 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129436410 830181971 /nfs/dbraw/zinc/18/19/71/830181971.db2.gz PIGAUNJGJSDNKG-QWHCGFSZSA-N 2 1 317.393 -0.396 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001129770587 830208234 /nfs/dbraw/zinc/20/82/34/830208234.db2.gz JNHWCJHSYZZYJB-HOTGVXAUSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCO[C@H]1CCOC1 ZINC001129770587 830208238 /nfs/dbraw/zinc/20/82/38/830208238.db2.gz JNHWCJHSYZZYJB-HOTGVXAUSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001129771132 830208668 /nfs/dbraw/zinc/20/86/68/830208668.db2.gz RZWWXYAUXYJCTM-HNNXBMFYSA-N 2 1 303.410 -0.234 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCc1ccnn1C ZINC001129771132 830208672 /nfs/dbraw/zinc/20/86/72/830208672.db2.gz RZWWXYAUXYJCTM-HNNXBMFYSA-N 2 1 303.410 -0.234 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001129791119 830210783 /nfs/dbraw/zinc/21/07/83/830210783.db2.gz SUESZIHZRHMVPH-JSGCOSHPSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)C(=O)NC1CC1 ZINC001129791119 830210789 /nfs/dbraw/zinc/21/07/89/830210789.db2.gz SUESZIHZRHMVPH-JSGCOSHPSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCC ZINC001129791159 830211103 /nfs/dbraw/zinc/21/11/03/830211103.db2.gz VSCZLFAFCNMIGX-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NCCC ZINC001129791159 830211109 /nfs/dbraw/zinc/21/11/09/830211109.db2.gz VSCZLFAFCNMIGX-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)C[C@@H]1n1ccnn1 ZINC001130123345 830268311 /nfs/dbraw/zinc/26/83/11/830268311.db2.gz OECSNKZLOKLBKH-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C1=O ZINC001130300152 830294138 /nfs/dbraw/zinc/29/41/38/830294138.db2.gz JLJJHTVYMNJDCK-KGLIPLIRSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130708665 830367794 /nfs/dbraw/zinc/36/77/94/830367794.db2.gz CVQHXAYEENJYPY-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001130710815 830368954 /nfs/dbraw/zinc/36/89/54/830368954.db2.gz FXKCJYOMIBFIEZ-AWEZNQCLSA-N 2 1 308.426 -0.438 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)C1=O ZINC001133845467 830837210 /nfs/dbraw/zinc/83/72/10/830837210.db2.gz GNOKGJFKYBFBKT-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC001133866942 830842963 /nfs/dbraw/zinc/84/29/63/830842963.db2.gz QAMIFAVVLNBKID-KBPBESRZSA-N 2 1 323.441 -0.348 20 30 DBEDMP C[C@H](C[C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH2+]CC(=O)NCC#N ZINC001134607988 830955103 /nfs/dbraw/zinc/95/51/03/830955103.db2.gz OYJUNFAUAVPDMF-OLZOCXBDSA-N 2 1 323.441 -0.017 20 30 DBEDMP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)C[N@@H+](C)C1CCC1 ZINC001134607990 830955754 /nfs/dbraw/zinc/95/57/54/830955754.db2.gz OYJUNFAUAVPDMF-STQMWFEESA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028894 831001688 /nfs/dbraw/zinc/00/16/88/831001688.db2.gz JWPHJBOBHUEAJL-STQMWFEESA-N 2 1 319.409 -0.186 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135093140 831009871 /nfs/dbraw/zinc/00/98/71/831009871.db2.gz ITYIUGGQCGIYBG-CHWSQXEVSA-N 2 1 307.398 -0.651 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001135352587 831060485 /nfs/dbraw/zinc/06/04/85/831060485.db2.gz JCTPRXMQSKNKBY-AWEZNQCLSA-N 2 1 324.425 -0.799 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001183647443 833725477 /nfs/dbraw/zinc/72/54/77/833725477.db2.gz HWBHFMUTPRPMGN-ZIAGYGMSSA-N 2 1 306.410 -0.589 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001135975807 831144262 /nfs/dbraw/zinc/14/42/62/831144262.db2.gz COQDAEXVUTUQLR-OLZOCXBDSA-N 2 1 311.430 -0.159 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146334687 831276414 /nfs/dbraw/zinc/27/64/14/831276414.db2.gz ZOVGXEZLIYDEDP-RYUDHWBXSA-N 2 1 320.397 -0.296 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001146334685 831276918 /nfs/dbraw/zinc/27/69/18/831276918.db2.gz ZOVGXEZLIYDEDP-NWDGAFQWSA-N 2 1 320.397 -0.296 20 30 DBEDMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148462474 831455900 /nfs/dbraw/zinc/45/59/00/831455900.db2.gz ARJPKIGKUAMFKU-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP CC[NH+](CC)CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148462474 831455902 /nfs/dbraw/zinc/45/59/02/831455902.db2.gz ARJPKIGKUAMFKU-UHFFFAOYSA-N 2 1 321.425 -0.498 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001148647074 831468921 /nfs/dbraw/zinc/46/89/21/831468921.db2.gz MWIMMDCMOPGYDC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)C[N@H+](C)CCC)C2)C1 ZINC001148647074 831468923 /nfs/dbraw/zinc/46/89/23/831468923.db2.gz MWIMMDCMOPGYDC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148647074 831468927 /nfs/dbraw/zinc/46/89/27/831468927.db2.gz MWIMMDCMOPGYDC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001148647074 831468929 /nfs/dbraw/zinc/46/89/29/831468929.db2.gz MWIMMDCMOPGYDC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150462253 831621083 /nfs/dbraw/zinc/62/10/83/831621083.db2.gz SYUZSZBZJFWVBH-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001150462253 831621084 /nfs/dbraw/zinc/62/10/84/831621084.db2.gz SYUZSZBZJFWVBH-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP CC#CC[N@H+]1CCCO[C@@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150590082 831631704 /nfs/dbraw/zinc/63/17/04/831631704.db2.gz YIRIHIRFYGQDBY-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001151065849 831662077 /nfs/dbraw/zinc/66/20/77/831662077.db2.gz NRIBDXUZOJPNLZ-AWEZNQCLSA-N 2 1 308.426 -0.156 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncnn2C)CC1 ZINC001152334895 831741833 /nfs/dbraw/zinc/74/18/33/831741833.db2.gz UVANAGRACFWPDW-UHFFFAOYSA-N 2 1 304.398 -0.634 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155015701 831911886 /nfs/dbraw/zinc/91/18/86/831911886.db2.gz CHZUXAOEEZRSLJ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C1CC[NH+](C)CC1 ZINC001155015701 831911888 /nfs/dbraw/zinc/91/18/88/831911888.db2.gz CHZUXAOEEZRSLJ-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001156145994 831971936 /nfs/dbraw/zinc/97/19/36/831971936.db2.gz RSNAXHIRKNRBAD-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001156145994 831971941 /nfs/dbraw/zinc/97/19/41/831971941.db2.gz RSNAXHIRKNRBAD-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380094 832107936 /nfs/dbraw/zinc/10/79/36/832107936.db2.gz MFENCUCVYXAPKF-BFHYXJOUSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001269115209 832141225 /nfs/dbraw/zinc/14/12/25/832141225.db2.gz HRDKNFXNLLCECH-ZFWWWQNUSA-N 2 1 320.437 -0.438 20 30 DBEDMP C[N@@H+](CC(=O)N[C@@H]1CCN(CC(=O)NCC#N)C1)C1CCC1 ZINC001269138255 832147148 /nfs/dbraw/zinc/14/71/48/832147148.db2.gz DUNDNOQYOGFKSV-GFCCVEGCSA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001269136125 832147815 /nfs/dbraw/zinc/14/78/15/832147815.db2.gz UXEHOCOAKQILDD-UKRRQHHQSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001270994136 832603827 /nfs/dbraw/zinc/60/38/27/832603827.db2.gz BDTVDHOZJDQQHZ-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001271311246 832655564 /nfs/dbraw/zinc/65/55/64/832655564.db2.gz LAOVMOKZNVMICI-KBPBESRZSA-N 2 1 323.441 -0.302 20 30 DBEDMP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001271837469 832705503 /nfs/dbraw/zinc/70/55/03/832705503.db2.gz JBVLKRNAZHGIJL-MCIONIFRSA-N 2 1 323.441 -0.303 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001272214547 832759032 /nfs/dbraw/zinc/75/90/32/832759032.db2.gz AKUAJRLMLWZLQF-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001272413451 832783965 /nfs/dbraw/zinc/78/39/65/832783965.db2.gz DASHRRJIHFQBLU-LSDHHAIUSA-N 2 1 311.426 -0.424 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159327383 832805573 /nfs/dbraw/zinc/80/55/73/832805573.db2.gz IEUYOXZGHPYJJS-ZDUSSCGKSA-N 2 1 309.414 -0.404 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272914734 832852863 /nfs/dbraw/zinc/85/28/63/832852863.db2.gz QSKCNDVDIMCJMU-GXTWGEPZSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CCC1 ZINC001273100102 832878128 /nfs/dbraw/zinc/87/81/28/832878128.db2.gz MLQIJXYHWICOSE-UHFFFAOYSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001160197730 832883289 /nfs/dbraw/zinc/88/32/89/832883289.db2.gz DSJRDNLKNKMOGM-AWEZNQCLSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1C ZINC001160197730 832883297 /nfs/dbraw/zinc/88/32/97/832883297.db2.gz DSJRDNLKNKMOGM-AWEZNQCLSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001160197784 832884224 /nfs/dbraw/zinc/88/42/24/832884224.db2.gz GMBZWVZYSALGKW-KGLIPLIRSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCCNC1=O ZINC001160197784 832884232 /nfs/dbraw/zinc/88/42/32/832884232.db2.gz GMBZWVZYSALGKW-KGLIPLIRSA-N 2 1 306.410 -0.542 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001160209545 832885645 /nfs/dbraw/zinc/88/56/45/832885645.db2.gz PTUWZTPZUXBTGR-HNNXBMFYSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC(C)C ZINC001160209545 832885656 /nfs/dbraw/zinc/88/56/56/832885656.db2.gz PTUWZTPZUXBTGR-HNNXBMFYSA-N 2 1 322.453 -0.048 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193968 832892052 /nfs/dbraw/zinc/89/20/52/832892052.db2.gz ZYPOBWKIXLPKAC-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193968 832892061 /nfs/dbraw/zinc/89/20/61/832892061.db2.gz ZYPOBWKIXLPKAC-CABCVRRESA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001160867938 832954958 /nfs/dbraw/zinc/95/49/58/832954958.db2.gz IZYXYKMZYNNOLR-HUUCEWRRSA-N 2 1 320.437 -0.151 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001273771941 832962626 /nfs/dbraw/zinc/96/26/26/832962626.db2.gz NYKZBOKAWCIINU-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCCCCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001180259484 833576581 /nfs/dbraw/zinc/57/65/81/833576581.db2.gz IOJMKXOGWOARQQ-HNNXBMFYSA-N 2 1 322.453 -0.046 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001183361436 833714285 /nfs/dbraw/zinc/71/42/85/833714285.db2.gz UMVGAILIMCCEMW-ZNMIVQPWSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001183361436 833714287 /nfs/dbraw/zinc/71/42/87/833714287.db2.gz UMVGAILIMCCEMW-ZNMIVQPWSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001183354003 833714683 /nfs/dbraw/zinc/71/46/83/833714683.db2.gz LISWUCAMMQCUSJ-MJBXVCDLSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001183354003 833714687 /nfs/dbraw/zinc/71/46/87/833714687.db2.gz LISWUCAMMQCUSJ-MJBXVCDLSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001276798113 833899089 /nfs/dbraw/zinc/89/90/89/833899089.db2.gz BXQXPOKQNZFFQH-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001187276927 833914062 /nfs/dbraw/zinc/91/40/62/833914062.db2.gz XFDMASJRWCXDSV-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001276977387 833916951 /nfs/dbraw/zinc/91/69/51/833916951.db2.gz HUVXSIIKWHLLOZ-JKSUJKDBSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C[C@H](O)COC)CC1 ZINC001276977385 833917358 /nfs/dbraw/zinc/91/73/58/833917358.db2.gz HUVXSIIKWHLLOZ-HOTGVXAUSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001276995362 833918202 /nfs/dbraw/zinc/91/82/02/833918202.db2.gz FAPOGDQQQWCEPY-TUVASFSCSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+][C@H](CC)C(N)=O)C1 ZINC001276995362 833918206 /nfs/dbraw/zinc/91/82/06/833918206.db2.gz FAPOGDQQQWCEPY-TUVASFSCSA-N 2 1 320.437 -0.168 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001277265312 833937999 /nfs/dbraw/zinc/93/79/99/833937999.db2.gz XUENMNIXGBOKHG-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001187982632 833961500 /nfs/dbraw/zinc/96/15/00/833961500.db2.gz PDGAVRULJFEDIS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC#CCOC)C2)C1 ZINC001187982632 833961502 /nfs/dbraw/zinc/96/15/02/833961502.db2.gz PDGAVRULJFEDIS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001277982100 834019366 /nfs/dbraw/zinc/01/93/66/834019366.db2.gz RIEDWXGJEFYIOF-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001277982102 834019543 /nfs/dbraw/zinc/01/95/43/834019543.db2.gz RIEDWXGJEFYIOF-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001190238292 834148708 /nfs/dbraw/zinc/14/87/08/834148708.db2.gz JZTVUIHWRZHEBB-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001190238292 834148710 /nfs/dbraw/zinc/14/87/10/834148710.db2.gz JZTVUIHWRZHEBB-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238292 834148718 /nfs/dbraw/zinc/14/87/18/834148718.db2.gz JZTVUIHWRZHEBB-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001190238292 834148722 /nfs/dbraw/zinc/14/87/22/834148722.db2.gz JZTVUIHWRZHEBB-QLFBSQMISA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643320 834175781 /nfs/dbraw/zinc/17/57/81/834175781.db2.gz ATAMFRKLAYIMFZ-AWEZNQCLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001190643320 834175785 /nfs/dbraw/zinc/17/57/85/834175785.db2.gz ATAMFRKLAYIMFZ-AWEZNQCLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655145 834176905 /nfs/dbraw/zinc/17/69/05/834176905.db2.gz NTRNRHFECTUTHW-UKRRQHHQSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)C1CC1 ZINC001190655145 834176906 /nfs/dbraw/zinc/17/69/06/834176906.db2.gz NTRNRHFECTUTHW-UKRRQHHQSA-N 2 1 321.425 -0.501 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)CCOCCO)C1 ZINC001190725776 834185168 /nfs/dbraw/zinc/18/51/68/834185168.db2.gz RLLANSNHOGMUSJ-CVEARBPZSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)CCOCCO)C1 ZINC001190725776 834185174 /nfs/dbraw/zinc/18/51/74/834185174.db2.gz RLLANSNHOGMUSJ-CVEARBPZSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCCO)C1 ZINC001190725776 834185178 /nfs/dbraw/zinc/18/51/78/834185178.db2.gz RLLANSNHOGMUSJ-CVEARBPZSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)CCOCCO)C1 ZINC001190725776 834185182 /nfs/dbraw/zinc/18/51/82/834185182.db2.gz RLLANSNHOGMUSJ-CVEARBPZSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC[C@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190889444 834201552 /nfs/dbraw/zinc/20/15/52/834201552.db2.gz KYMUONUJILQXEK-CHWSQXEVSA-N 2 1 309.414 -0.501 20 30 DBEDMP CC[C@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190889444 834201557 /nfs/dbraw/zinc/20/15/57/834201557.db2.gz KYMUONUJILQXEK-CHWSQXEVSA-N 2 1 309.414 -0.501 20 30 DBEDMP COCC#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899431 834203360 /nfs/dbraw/zinc/20/33/60/834203360.db2.gz JZKRMCNXMBGUSA-BZUAXINKSA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190899431 834203364 /nfs/dbraw/zinc/20/33/64/834203364.db2.gz JZKRMCNXMBGUSA-BZUAXINKSA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190899431 834203369 /nfs/dbraw/zinc/20/33/69/834203369.db2.gz JZKRMCNXMBGUSA-BZUAXINKSA-N 2 1 323.437 -0.112 20 30 DBEDMP COCC#CC[NH+](C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190899431 834203373 /nfs/dbraw/zinc/20/33/73/834203373.db2.gz JZKRMCNXMBGUSA-BZUAXINKSA-N 2 1 323.437 -0.112 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039078 834320565 /nfs/dbraw/zinc/32/05/65/834320565.db2.gz VZVZEGKOKJUQBI-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192039078 834320574 /nfs/dbraw/zinc/32/05/74/834320574.db2.gz VZVZEGKOKJUQBI-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193600425 834513747 /nfs/dbraw/zinc/51/37/47/834513747.db2.gz CQMIUIHYJOREDQ-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1CC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001193600425 834513755 /nfs/dbraw/zinc/51/37/55/834513755.db2.gz CQMIUIHYJOREDQ-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193600425 834513762 /nfs/dbraw/zinc/51/37/62/834513762.db2.gz CQMIUIHYJOREDQ-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP CCC[NH+](C)CCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193600425 834513773 /nfs/dbraw/zinc/51/37/73/834513773.db2.gz CQMIUIHYJOREDQ-AWEZNQCLSA-N 2 1 323.441 -0.109 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002796 834556309 /nfs/dbraw/zinc/55/63/09/834556309.db2.gz ZIDOUBYWDTVCME-CHWSQXEVSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002796 834556312 /nfs/dbraw/zinc/55/63/12/834556312.db2.gz ZIDOUBYWDTVCME-CHWSQXEVSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002796 834556317 /nfs/dbraw/zinc/55/63/17/834556317.db2.gz ZIDOUBYWDTVCME-CHWSQXEVSA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002796 834556319 /nfs/dbraw/zinc/55/63/19/834556319.db2.gz ZIDOUBYWDTVCME-CHWSQXEVSA-N 2 1 307.398 -0.889 20 30 DBEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577653 834573226 /nfs/dbraw/zinc/57/32/26/834573226.db2.gz OVRPPTFUGLKFAK-QLFBSQMISA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@H](O)C[NH+]1CC[C@@H]2C[N@@H+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577653 834573237 /nfs/dbraw/zinc/57/32/37/834573237.db2.gz OVRPPTFUGLKFAK-QLFBSQMISA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@H](O)C[N@@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577653 834573242 /nfs/dbraw/zinc/57/32/42/834573242.db2.gz OVRPPTFUGLKFAK-QLFBSQMISA-N 2 1 311.426 -0.356 20 30 DBEDMP C=C[C@H](O)C[N@H+]1CC[C@@H]2C[NH+](CC(=O)N(C)C)CCO[C@@H]2C1 ZINC001253577653 834573246 /nfs/dbraw/zinc/57/32/46/834573246.db2.gz OVRPPTFUGLKFAK-QLFBSQMISA-N 2 1 311.426 -0.356 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320435 834856342 /nfs/dbraw/zinc/85/63/42/834856342.db2.gz ZPDPVAFNWSKABL-HUUCEWRRSA-N 2 1 309.410 -0.718 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001263850432 834990975 /nfs/dbraw/zinc/99/09/75/834990975.db2.gz PFVSKBZPRSBHGQ-RWMBFGLXSA-N 2 1 307.398 -0.938 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001199943164 835072931 /nfs/dbraw/zinc/07/29/31/835072931.db2.gz FPSLYROQHMOWQQ-HNNXBMFYSA-N 2 1 309.410 -0.453 20 30 DBEDMP COCC#CC[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001199943164 835072939 /nfs/dbraw/zinc/07/29/39/835072939.db2.gz FPSLYROQHMOWQQ-HNNXBMFYSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)CCCO1 ZINC001200180662 835103772 /nfs/dbraw/zinc/10/37/72/835103772.db2.gz AWGIFEALYMHYNI-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)CCCO1 ZINC001200180662 835103775 /nfs/dbraw/zinc/10/37/75/835103775.db2.gz AWGIFEALYMHYNI-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001265586716 835157138 /nfs/dbraw/zinc/15/71/38/835157138.db2.gz MEKHZSKWYOMOIW-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001265586716 835157140 /nfs/dbraw/zinc/15/71/40/835157140.db2.gz MEKHZSKWYOMOIW-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001265586717 835157155 /nfs/dbraw/zinc/15/71/55/835157155.db2.gz MEKHZSKWYOMOIW-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001265586717 835157157 /nfs/dbraw/zinc/15/71/57/835157157.db2.gz MEKHZSKWYOMOIW-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001265726417 835166309 /nfs/dbraw/zinc/16/63/09/835166309.db2.gz CRQMHGNZOCIIQN-ZSAUSMIDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001265726417 835166313 /nfs/dbraw/zinc/16/63/13/835166313.db2.gz CRQMHGNZOCIIQN-ZSAUSMIDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001265726417 835166319 /nfs/dbraw/zinc/16/63/19/835166319.db2.gz CRQMHGNZOCIIQN-ZSAUSMIDSA-N 2 1 318.421 -0.878 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001201094092 835168078 /nfs/dbraw/zinc/16/80/78/835168078.db2.gz MZAUOISNOULOTI-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)C(=O)NC)CC1 ZINC001201094092 835168083 /nfs/dbraw/zinc/16/80/83/835168083.db2.gz MZAUOISNOULOTI-HIFRSBDPSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001201094093 835168507 /nfs/dbraw/zinc/16/85/07/835168507.db2.gz MZAUOISNOULOTI-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)C(=O)NC)CC1 ZINC001201094093 835168509 /nfs/dbraw/zinc/16/85/09/835168509.db2.gz MZAUOISNOULOTI-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265784043 835172554 /nfs/dbraw/zinc/17/25/54/835172554.db2.gz UOTBKDKWONXHIM-QWHCGFSZSA-N 2 1 308.426 -0.297 20 30 DBEDMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001265832563 835179805 /nfs/dbraw/zinc/17/98/05/835179805.db2.gz MTDNUYNOHOSWLG-GFCCVEGCSA-N 2 1 320.397 -0.259 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001266026849 835219062 /nfs/dbraw/zinc/21/90/62/835219062.db2.gz SXMCJKRXPZRFKP-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202109276 835232566 /nfs/dbraw/zinc/23/25/66/835232566.db2.gz OCZGPPLGHCAVOW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202109276 835232575 /nfs/dbraw/zinc/23/25/75/835232575.db2.gz OCZGPPLGHCAVOW-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCCO1 ZINC001202114716 835233372 /nfs/dbraw/zinc/23/33/72/835233372.db2.gz ALMKPVKPUCUGJN-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCCO1 ZINC001202114716 835233377 /nfs/dbraw/zinc/23/33/77/835233377.db2.gz ALMKPVKPUCUGJN-HUUCEWRRSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001266126441 835233542 /nfs/dbraw/zinc/23/35/42/835233542.db2.gz WUZINTMSSZVBFR-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266126441 835233551 /nfs/dbraw/zinc/23/35/51/835233551.db2.gz WUZINTMSSZVBFR-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001266126441 835233557 /nfs/dbraw/zinc/23/35/57/835233557.db2.gz WUZINTMSSZVBFR-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266191881 835245979 /nfs/dbraw/zinc/24/59/79/835245979.db2.gz MAJJAJDXJKOJCQ-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001266287912 835266171 /nfs/dbraw/zinc/26/61/71/835266171.db2.gz KLUHNOSUOYJVRF-UHFFFAOYSA-N 2 1 304.438 -0.018 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203337311 835293239 /nfs/dbraw/zinc/29/32/39/835293239.db2.gz GLQRMXFCMPHEPE-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001203692504 835304895 /nfs/dbraw/zinc/30/48/95/835304895.db2.gz GGWMTYVWTCLWAM-CYBMUJFWSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266427775 835306202 /nfs/dbraw/zinc/30/62/02/835306202.db2.gz AGDMZQZAGYAKTM-UHFFFAOYSA-N 2 1 306.410 -0.730 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266427775 835306212 /nfs/dbraw/zinc/30/62/12/835306212.db2.gz AGDMZQZAGYAKTM-UHFFFAOYSA-N 2 1 306.410 -0.730 20 30 DBEDMP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001266577636 835341115 /nfs/dbraw/zinc/34/11/15/835341115.db2.gz SVOKPLBDGBQFLX-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)CC(=O)NCC#N ZINC001266577636 835341120 /nfs/dbraw/zinc/34/11/20/835341120.db2.gz SVOKPLBDGBQFLX-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C1)CC(=O)NCC#N ZINC001266577636 835341126 /nfs/dbraw/zinc/34/11/26/835341126.db2.gz SVOKPLBDGBQFLX-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C)C1)CC(=O)NCC#N ZINC001266577636 835341132 /nfs/dbraw/zinc/34/11/32/835341132.db2.gz SVOKPLBDGBQFLX-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205479462 835345362 /nfs/dbraw/zinc/34/53/62/835345362.db2.gz NNQONJJAOOTXII-AWEZNQCLSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]CC(N)=O)CC1 ZINC001205479462 835345368 /nfs/dbraw/zinc/34/53/68/835345368.db2.gz NNQONJJAOOTXII-AWEZNQCLSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001266778084 835381683 /nfs/dbraw/zinc/38/16/83/835381683.db2.gz HUMJZYHOPIULFN-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266995845 835424858 /nfs/dbraw/zinc/42/48/58/835424858.db2.gz WFJMAHZMQDYQLV-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266995844 835424969 /nfs/dbraw/zinc/42/49/69/835424969.db2.gz WFJMAHZMQDYQLV-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[NH2+]Cc2cnn(C)n2)CC1 ZINC001267116784 835444709 /nfs/dbraw/zinc/44/47/09/835444709.db2.gz HKMKDBHZFHVOSQ-UHFFFAOYSA-N 2 1 318.425 -0.292 20 30 DBEDMP C#CCNC(=O)CN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCN1C ZINC001267271338 835473029 /nfs/dbraw/zinc/47/30/29/835473029.db2.gz TVRWDHHAHKMZGX-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001267299216 835480911 /nfs/dbraw/zinc/48/09/11/835480911.db2.gz AZBSAEZAYFFBII-AWEZNQCLSA-N 2 1 320.437 -0.484 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306389 835481935 /nfs/dbraw/zinc/48/19/35/835481935.db2.gz GIIIFPDNCCBFTB-DZGCQCFKSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306389 835481939 /nfs/dbraw/zinc/48/19/39/835481939.db2.gz GIIIFPDNCCBFTB-DZGCQCFKSA-N 2 1 323.441 -0.350 20 30 DBEDMP CCC[N@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC(=O)NCC#N)C1 ZINC001267416094 835507929 /nfs/dbraw/zinc/50/79/29/835507929.db2.gz CLUWMURMEQRKRP-CQSZACIVSA-N 2 1 323.441 -0.204 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NC)C1 ZINC001267557528 835530861 /nfs/dbraw/zinc/53/08/61/835530861.db2.gz HABUDKNRNPQXRA-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NC)C1 ZINC001267557528 835530866 /nfs/dbraw/zinc/53/08/66/835530866.db2.gz HABUDKNRNPQXRA-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001267557528 835530871 /nfs/dbraw/zinc/53/08/71/835530871.db2.gz HABUDKNRNPQXRA-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NC)C1 ZINC001267557528 835530877 /nfs/dbraw/zinc/53/08/77/835530877.db2.gz HABUDKNRNPQXRA-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267725835 835576760 /nfs/dbraw/zinc/57/67/60/835576760.db2.gz FUYMBTCKLOBGLU-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001267725835 835576768 /nfs/dbraw/zinc/57/67/68/835576768.db2.gz FUYMBTCKLOBGLU-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001267725835 835576775 /nfs/dbraw/zinc/57/67/75/835576775.db2.gz FUYMBTCKLOBGLU-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001267725835 835576781 /nfs/dbraw/zinc/57/67/81/835576781.db2.gz FUYMBTCKLOBGLU-KBPBESRZSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267770713 835593047 /nfs/dbraw/zinc/59/30/47/835593047.db2.gz PZBDMTIYAXXWNS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001267770713 835593051 /nfs/dbraw/zinc/59/30/51/835593051.db2.gz PZBDMTIYAXXWNS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC001267958047 835613061 /nfs/dbraw/zinc/61/30/61/835613061.db2.gz TWLMNCYFRYUEDP-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC001267958047 835613066 /nfs/dbraw/zinc/61/30/66/835613066.db2.gz TWLMNCYFRYUEDP-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001268100373 835632942 /nfs/dbraw/zinc/63/29/42/835632942.db2.gz MQCBFMOIHCTXLK-GFCCVEGCSA-N 2 1 305.382 -0.623 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCn1cncn1 ZINC001268458469 835699124 /nfs/dbraw/zinc/69/91/24/835699124.db2.gz CSUGBCWJRASJJO-HNNXBMFYSA-N 2 1 318.425 -0.186 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CCn1cncn1 ZINC001268458469 835699125 /nfs/dbraw/zinc/69/91/25/835699125.db2.gz CSUGBCWJRASJJO-HNNXBMFYSA-N 2 1 318.425 -0.186 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)CC[C@H]1CCC[N@H+]1C ZINC001268648270 835765813 /nfs/dbraw/zinc/76/58/13/835765813.db2.gz AMXHYYGLWQFPGQ-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]Cc2cnn(C)n2)CC1 ZINC001268673814 835773151 /nfs/dbraw/zinc/77/31/51/835773151.db2.gz KOUPNALPHGHLTB-CYBMUJFWSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268747307 835798781 /nfs/dbraw/zinc/79/87/81/835798781.db2.gz QJWMQPZVBXVWSE-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001268747307 835798792 /nfs/dbraw/zinc/79/87/92/835798792.db2.gz QJWMQPZVBXVWSE-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001268747307 835798803 /nfs/dbraw/zinc/79/88/03/835798803.db2.gz QJWMQPZVBXVWSE-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H](C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001268747307 835798813 /nfs/dbraw/zinc/79/88/13/835798813.db2.gz QJWMQPZVBXVWSE-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@@H+](C)C(C)C ZINC001268759017 835802044 /nfs/dbraw/zinc/80/20/44/835802044.db2.gz HTAWKBSRJOXCEJ-UONOGXRCSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)C[C@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001268759017 835802050 /nfs/dbraw/zinc/80/20/50/835802050.db2.gz HTAWKBSRJOXCEJ-UONOGXRCSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759017 835802057 /nfs/dbraw/zinc/80/20/57/835802057.db2.gz HTAWKBSRJOXCEJ-UONOGXRCSA-N 2 1 310.442 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001268759017 835802064 /nfs/dbraw/zinc/80/20/64/835802064.db2.gz HTAWKBSRJOXCEJ-UONOGXRCSA-N 2 1 310.442 -0.099 20 30 DBEDMP CC[C@@H](C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#CCOC)[NH+](C)C ZINC001486350437 1013825929 /nfs/dbraw/zinc/82/59/29/1013825929.db2.gz ZEEKEBOYOHOJCV-GJZGRUSLSA-N 2 1 313.442 -0.273 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568059 978215720 /nfs/dbraw/zinc/21/57/20/978215720.db2.gz MPEJZCRVVDURSR-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001207568059 978215729 /nfs/dbraw/zinc/21/57/29/978215729.db2.gz MPEJZCRVVDURSR-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C2CCC2)C1 ZINC001207568059 978215737 /nfs/dbraw/zinc/21/57/37/978215737.db2.gz MPEJZCRVVDURSR-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001207568059 978215747 /nfs/dbraw/zinc/21/57/47/978215747.db2.gz MPEJZCRVVDURSR-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001208070317 978314748 /nfs/dbraw/zinc/31/47/48/978314748.db2.gz IXZBQBFJBSQZAV-MGPQQGTHSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001208352808 978350805 /nfs/dbraw/zinc/35/08/05/978350805.db2.gz PCMOYGTZPDTTIK-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC)C1 ZINC001208352808 978350818 /nfs/dbraw/zinc/35/08/18/978350818.db2.gz PCMOYGTZPDTTIK-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001208453236 978371851 /nfs/dbraw/zinc/37/18/51/978371851.db2.gz BZBZTXKPYDKWIU-ZDUSSCGKSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495992 978380037 /nfs/dbraw/zinc/38/00/37/978380037.db2.gz FWFYMKQVCIJPNQ-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001208495992 978380046 /nfs/dbraw/zinc/38/00/46/978380046.db2.gz FWFYMKQVCIJPNQ-MGPQQGTHSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001208568443 978393084 /nfs/dbraw/zinc/39/30/84/978393084.db2.gz JEHIHUYERCNXMI-AWEZNQCLSA-N 2 1 317.393 -0.478 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)CCC)C1 ZINC001210789386 978535195 /nfs/dbraw/zinc/53/51/95/978535195.db2.gz OIZPVFLDFDZAEE-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026117 978550912 /nfs/dbraw/zinc/55/09/12/978550912.db2.gz SCMIXIAGBPRYOO-MGPQQGTHSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026117 978550919 /nfs/dbraw/zinc/55/09/19/978550919.db2.gz SCMIXIAGBPRYOO-MGPQQGTHSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026117 978550924 /nfs/dbraw/zinc/55/09/24/978550924.db2.gz SCMIXIAGBPRYOO-MGPQQGTHSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026117 978550930 /nfs/dbraw/zinc/55/09/30/978550930.db2.gz SCMIXIAGBPRYOO-MGPQQGTHSA-N 2 1 306.410 -0.876 20 30 DBEDMP C[NH+](C)CC#CCNC(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC001211070104 978552552 /nfs/dbraw/zinc/55/25/52/978552552.db2.gz UGMJFMINEVDGAK-UHFFFAOYSA-N 2 1 309.414 -0.985 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001211268266 978562609 /nfs/dbraw/zinc/56/26/09/978562609.db2.gz HMDZGSCOYFYIOR-CQSZACIVSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211268017 978563559 /nfs/dbraw/zinc/56/35/59/978563559.db2.gz GCDYQPJLMJLUJO-CYBMUJFWSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001211367614 978567628 /nfs/dbraw/zinc/56/76/28/978567628.db2.gz XOCOKWFWEBCCIV-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001211367614 978567630 /nfs/dbraw/zinc/56/76/30/978567630.db2.gz XOCOKWFWEBCCIV-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367614 978567641 /nfs/dbraw/zinc/56/76/41/978567641.db2.gz XOCOKWFWEBCCIV-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001211367614 978567650 /nfs/dbraw/zinc/56/76/50/978567650.db2.gz XOCOKWFWEBCCIV-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)C[C@H]1C ZINC001214336089 978725461 /nfs/dbraw/zinc/72/54/61/978725461.db2.gz TYKKSAOIPDYLHP-MGPQQGTHSA-N 2 1 306.410 -0.734 20 30 DBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001214387141 978728839 /nfs/dbraw/zinc/72/88/39/978728839.db2.gz UMVUZSYIHMFKCJ-KFWWJZLASA-N 2 1 311.426 -0.044 20 30 DBEDMP C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001214387141 978728842 /nfs/dbraw/zinc/72/88/42/978728842.db2.gz UMVUZSYIHMFKCJ-KFWWJZLASA-N 2 1 311.426 -0.044 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)C[C@H]1C ZINC001215535979 978773451 /nfs/dbraw/zinc/77/34/51/978773451.db2.gz BJWYBMQGHICSSE-QLFBSQMISA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCOC(C)C)C[C@@H]1O ZINC001219821500 979024337 /nfs/dbraw/zinc/02/43/37/979024337.db2.gz NWCYXZHGCSNPBG-PMPSAXMXSA-N 2 1 323.437 -0.330 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOC(C)C)C[C@@H]1O ZINC001219821500 979024341 /nfs/dbraw/zinc/02/43/41/979024341.db2.gz NWCYXZHGCSNPBG-PMPSAXMXSA-N 2 1 323.437 -0.330 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCOCC=C)C[C@@H]1O ZINC001219821289 979024759 /nfs/dbraw/zinc/02/47/59/979024759.db2.gz JJSPSOAJESACLU-PMPSAXMXSA-N 2 1 321.421 -0.552 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@@H]1CN(CCOCC=C)C[C@@H]1O ZINC001219821289 979024765 /nfs/dbraw/zinc/02/47/65/979024765.db2.gz JJSPSOAJESACLU-PMPSAXMXSA-N 2 1 321.421 -0.552 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](O)C1 ZINC001220230531 979141803 /nfs/dbraw/zinc/14/18/03/979141803.db2.gz IZNDRIFIHMTHGM-KGLIPLIRSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377550 979179127 /nfs/dbraw/zinc/17/91/27/979179127.db2.gz CMLKBRHFZPEEJP-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)COC[C@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220377550 979179133 /nfs/dbraw/zinc/17/91/33/979179133.db2.gz CMLKBRHFZPEEJP-ZNMIVQPWSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220637950 979254025 /nfs/dbraw/zinc/25/40/25/979254025.db2.gz PFPILJUVQQNYND-CABCVRRESA-N 2 1 311.426 -0.165 20 30 DBEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001222682555 979525997 /nfs/dbraw/zinc/52/59/97/979525997.db2.gz XRGFIRLWBIYEJE-INIZCTEOSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682555 979526006 /nfs/dbraw/zinc/52/60/06/979526006.db2.gz XRGFIRLWBIYEJE-INIZCTEOSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[C@H](C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1)[NH+](C)C ZINC001223604441 979553759 /nfs/dbraw/zinc/55/37/59/979553759.db2.gz HZRHHLZQNDLYOK-CQSZACIVSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[NH+](C)CCCC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224253220 979563661 /nfs/dbraw/zinc/56/36/61/979563661.db2.gz IFVKAWTUWYWPLN-UHFFFAOYSA-N 2 1 323.441 -0.204 20 30 DBEDMP CC[C@@H](C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1)[NH+](C)C ZINC001224583014 979576828 /nfs/dbraw/zinc/57/68/28/979576828.db2.gz HZRHHLZQNDLYOK-AWEZNQCLSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225578194 979598718 /nfs/dbraw/zinc/59/87/18/979598718.db2.gz RLHLMWNOZDPNDG-UHFFFAOYSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225578194 979598725 /nfs/dbraw/zinc/59/87/25/979598725.db2.gz RLHLMWNOZDPNDG-UHFFFAOYSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001226554008 979634930 /nfs/dbraw/zinc/63/49/30/979634930.db2.gz GTISPGMPPXYRCB-CQSZACIVSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001226554008 979634937 /nfs/dbraw/zinc/63/49/37/979634937.db2.gz GTISPGMPPXYRCB-CQSZACIVSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488878500 1014626557 /nfs/dbraw/zinc/62/65/57/1014626557.db2.gz LUDDJJCGDLHNHL-IHRRRGAJSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001490376422 1014947354 /nfs/dbraw/zinc/94/73/54/1014947354.db2.gz LGCZKCCXUAAFIY-ZFWWWQNUSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]([C@@H](C)C(N)=O)C1CC1 ZINC001490376422 1014947365 /nfs/dbraw/zinc/94/73/65/1014947365.db2.gz LGCZKCCXUAAFIY-ZFWWWQNUSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]([C@@H](C)C(N)=O)C1CC1 ZINC001490376422 1014947373 /nfs/dbraw/zinc/94/73/73/1014947373.db2.gz LGCZKCCXUAAFIY-ZFWWWQNUSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]([C@@H](C)C(N)=O)C1CC1 ZINC001490376422 1014947383 /nfs/dbraw/zinc/94/73/83/1014947383.db2.gz LGCZKCCXUAAFIY-ZFWWWQNUSA-N 2 1 320.437 -0.072 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490727273 1015095797 /nfs/dbraw/zinc/09/57/97/1015095797.db2.gz AQNSNSBSMQDGST-HIFRSBDPSA-N 2 1 320.437 -0.438 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734464 1015100853 /nfs/dbraw/zinc/10/08/53/1015100853.db2.gz AYPSGESBFDMOEM-KGLIPLIRSA-N 2 1 308.426 -0.275 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490876630 1015140145 /nfs/dbraw/zinc/14/01/45/1015140145.db2.gz IDNCULMUOOGTBF-SYQHCUMBSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001491036634 1015200676 /nfs/dbraw/zinc/20/06/76/1015200676.db2.gz PRZMGRMHAMWRBO-MELADBBJSA-N 2 1 317.393 -0.434 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CCC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001491183160 1015275930 /nfs/dbraw/zinc/27/59/30/1015275930.db2.gz AIZYOQCGNBRSKW-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001491334527 1015358218 /nfs/dbraw/zinc/35/82/18/1015358218.db2.gz KASJUZOYQYKPRC-BTFPBAQTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001491334527 1015358227 /nfs/dbraw/zinc/35/82/27/1015358227.db2.gz KASJUZOYQYKPRC-BTFPBAQTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001491334527 1015358232 /nfs/dbraw/zinc/35/82/32/1015358232.db2.gz KASJUZOYQYKPRC-BTFPBAQTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001491487079 1015449252 /nfs/dbraw/zinc/44/92/52/1015449252.db2.gz UFBXZGYCHQSGHJ-KGLIPLIRSA-N 2 1 304.398 -0.530 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCn1cncn1 ZINC001491487079 1015449260 /nfs/dbraw/zinc/44/92/60/1015449260.db2.gz UFBXZGYCHQSGHJ-KGLIPLIRSA-N 2 1 304.398 -0.530 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376874972 990362875 /nfs/dbraw/zinc/36/28/75/990362875.db2.gz FVFRKKNPJPTNHV-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001376874961 990362988 /nfs/dbraw/zinc/36/29/88/990362988.db2.gz FVFRKKNPJPTNHV-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)CC[NH+](C)C ZINC001379469721 991695064 /nfs/dbraw/zinc/69/50/64/991695064.db2.gz OYCYVOFQRHPUFP-SNVBAGLBSA-N 2 1 308.220 -0.087 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890754 1015664386 /nfs/dbraw/zinc/66/43/86/1015664386.db2.gz FSRSVKJZKSMOAV-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491958209 1015679467 /nfs/dbraw/zinc/67/94/67/1015679467.db2.gz AWCIQJUGGHVEAS-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001491958209 1015679469 /nfs/dbraw/zinc/67/94/69/1015679469.db2.gz AWCIQJUGGHVEAS-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001492873735 1015821120 /nfs/dbraw/zinc/82/11/20/1015821120.db2.gz RSKHOGCCYUWBJR-CQSZACIVSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H]2CCNC2=O)CC1 ZINC001492873735 1015821122 /nfs/dbraw/zinc/82/11/22/1015821122.db2.gz RSKHOGCCYUWBJR-CQSZACIVSA-N 2 1 306.410 -0.732 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001403880887 995752136 /nfs/dbraw/zinc/75/21/36/995752136.db2.gz YRGLLQYUZVUGAW-ZDUSSCGKSA-N 2 1 319.833 -0.130 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C ZINC001392468517 996948774 /nfs/dbraw/zinc/94/87/74/996948774.db2.gz ZPZZBKZEFAFRGT-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001495231314 1016587755 /nfs/dbraw/zinc/58/77/55/1016587755.db2.gz DFJBRCSOSXZOQQ-RHSMWYFYSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001495684886 1016690785 /nfs/dbraw/zinc/69/07/85/1016690785.db2.gz YBLMYVVSGGNBDA-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC(=O)NC(C)C ZINC001495684886 1016690790 /nfs/dbraw/zinc/69/07/90/1016690790.db2.gz YBLMYVVSGGNBDA-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001495784934 1016720809 /nfs/dbraw/zinc/72/08/09/1016720809.db2.gz JNIHLKDJVZXUCK-ZIAGYGMSSA-N 2 1 308.426 -0.581 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001496064044 1016830681 /nfs/dbraw/zinc/83/06/81/1016830681.db2.gz NPPSZPFHHFWYNG-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CCC)C[C@H]1C ZINC001496369322 1016898868 /nfs/dbraw/zinc/89/88/68/1016898868.db2.gz QFVIOLPGZBPFOX-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626732 1016974872 /nfs/dbraw/zinc/97/48/72/1016974872.db2.gz HRCVVMMYUQOYCS-KGLIPLIRSA-N 2 1 323.441 -0.302 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001479287224 1010235978 /nfs/dbraw/zinc/23/59/78/1010235978.db2.gz UFTXBFZSKRUGDN-MJBXVCDLSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001479287224 1010236002 /nfs/dbraw/zinc/23/60/02/1010236002.db2.gz UFTXBFZSKRUGDN-MJBXVCDLSA-N 2 1 324.425 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001479896000 1010434048 /nfs/dbraw/zinc/43/40/48/1010434048.db2.gz GUIBNJSALRAURE-UHFFFAOYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001479896000 1010434058 /nfs/dbraw/zinc/43/40/58/1010434058.db2.gz GUIBNJSALRAURE-UHFFFAOYSA-N 2 1 322.453 -0.001 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001480140636 1010552087 /nfs/dbraw/zinc/55/20/87/1010552087.db2.gz BCCHXKAJUSVMJB-MGPQQGTHSA-N 2 1 321.425 -0.263 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001480196273 1010569799 /nfs/dbraw/zinc/56/97/99/1010569799.db2.gz IDNCULMUOOGTBF-YIYPIFLZSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001480214849 1010577755 /nfs/dbraw/zinc/57/77/55/1010577755.db2.gz YLBJQCSUTPBHNW-BETUJISGSA-N 2 1 303.366 -0.822 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001480223873 1010580033 /nfs/dbraw/zinc/58/00/33/1010580033.db2.gz KUYYUNHPWYXBOH-MELADBBJSA-N 2 1 306.410 -0.686 20 30 DBEDMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001480381947 1010621865 /nfs/dbraw/zinc/62/18/65/1010621865.db2.gz GIQBVTCYFUTMJA-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001480381947 1010621872 /nfs/dbraw/zinc/62/18/72/1010621872.db2.gz GIQBVTCYFUTMJA-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001480649495 1010729101 /nfs/dbraw/zinc/72/91/01/1010729101.db2.gz WWXDSWLVXFIDJI-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)[NH2+]CC(=O)NCC#N ZINC001480765251 1010756832 /nfs/dbraw/zinc/75/68/32/1010756832.db2.gz CIHQLXVYTXYNCU-JHJVBQTASA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001480950257 1010814466 /nfs/dbraw/zinc/81/44/66/1010814466.db2.gz FRGDVTKSWBFSMJ-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H]2CCN(C)C2=O)CC1 ZINC001480950257 1010814469 /nfs/dbraw/zinc/81/44/69/1010814469.db2.gz FRGDVTKSWBFSMJ-HNNXBMFYSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481518124 1010896488 /nfs/dbraw/zinc/89/64/88/1010896488.db2.gz HVUUYAKFRVJINF-UHFFFAOYSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001481522330 1010898152 /nfs/dbraw/zinc/89/81/52/1010898152.db2.gz YUBICKRXYXGJBF-QLFBSQMISA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001482221772 1011090337 /nfs/dbraw/zinc/09/03/37/1011090337.db2.gz RQDSEYDPWYINHR-KGLIPLIRSA-N 2 1 320.437 -0.024 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)C(N)=O)CCCC1 ZINC001482221772 1011090344 /nfs/dbraw/zinc/09/03/44/1011090344.db2.gz RQDSEYDPWYINHR-KGLIPLIRSA-N 2 1 320.437 -0.024 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482310547 1011114420 /nfs/dbraw/zinc/11/44/20/1011114420.db2.gz XFUURZFAQAVFTO-NSHDSACASA-N 2 1 306.370 -0.732 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482317843 1011116246 /nfs/dbraw/zinc/11/62/46/1011116246.db2.gz CTQPLRWBUSLPQD-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482331222 1011120790 /nfs/dbraw/zinc/12/07/90/1011120790.db2.gz OTGYVVSIKKCSKU-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482354856 1011127868 /nfs/dbraw/zinc/12/78/68/1011127868.db2.gz UWKRABBMSVRXCD-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@H+](C)C(C)C ZINC001482696628 1011268618 /nfs/dbraw/zinc/26/86/18/1011268618.db2.gz CXXNSWPQAXFARX-LSDHHAIUSA-N 2 1 322.453 -0.050 20 30 DBEDMP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790651 1011466879 /nfs/dbraw/zinc/46/68/79/1011466879.db2.gz GXDWPKZWJVXGPK-MNOVXSKESA-N 2 1 320.231 -0.087 20 30 DBEDMP C=C(Br)C[NH2+]C[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482790650 1011469201 /nfs/dbraw/zinc/46/92/01/1011469201.db2.gz GXDWPKZWJVXGPK-GHMZBOCLSA-N 2 1 320.231 -0.087 20 30 DBEDMP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001482933700 1011548585 /nfs/dbraw/zinc/54/85/85/1011548585.db2.gz MVBKSLJGSSTAPP-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001482946784 1011554547 /nfs/dbraw/zinc/55/45/47/1011554547.db2.gz KEBFFQFJQGGVGC-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482962795 1011560809 /nfs/dbraw/zinc/56/08/09/1011560809.db2.gz BHNTWIMCIJYZAM-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483010711 1011597806 /nfs/dbraw/zinc/59/78/06/1011597806.db2.gz MUZPEXWIMXYGPB-NQHOJNORSA-N 2 1 321.425 -0.239 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001483010713 1011598680 /nfs/dbraw/zinc/59/86/80/1011598680.db2.gz MUZPEXWIMXYGPB-VQTKUKTRSA-N 2 1 321.425 -0.239 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001483136534 1011718882 /nfs/dbraw/zinc/71/88/82/1011718882.db2.gz WJTOEMUZVFPSNH-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNC(=O)C1CC1 ZINC001483136534 1011718906 /nfs/dbraw/zinc/71/89/06/1011718906.db2.gz WJTOEMUZVFPSNH-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001483475274 1011884847 /nfs/dbraw/zinc/88/48/47/1011884847.db2.gz SPKGYPHQWQVHMV-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001483759465 1012120695 /nfs/dbraw/zinc/12/06/95/1012120695.db2.gz IADLBYKVKWWKST-KGLIPLIRSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001484066605 1012301768 /nfs/dbraw/zinc/30/17/68/1012301768.db2.gz ATLNDSVOHLIDKV-WMLDXEAASA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001484066605 1012301780 /nfs/dbraw/zinc/30/17/80/1012301780.db2.gz ATLNDSVOHLIDKV-WMLDXEAASA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066605 1012301789 /nfs/dbraw/zinc/30/17/89/1012301789.db2.gz ATLNDSVOHLIDKV-WMLDXEAASA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001484066605 1012301800 /nfs/dbraw/zinc/30/18/00/1012301800.db2.gz ATLNDSVOHLIDKV-WMLDXEAASA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCOCC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484250179 1012461881 /nfs/dbraw/zinc/46/18/81/1012461881.db2.gz CTZCMMWKNTVSFB-HOCLYGCPSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484250179 1012461890 /nfs/dbraw/zinc/46/18/90/1012461890.db2.gz CTZCMMWKNTVSFB-HOCLYGCPSA-N 2 1 311.426 -0.306 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001484250179 1012461898 /nfs/dbraw/zinc/46/18/98/1012461898.db2.gz CTZCMMWKNTVSFB-HOCLYGCPSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C[C@@H](C)O)C2)CC1 ZINC001484253616 1012464880 /nfs/dbraw/zinc/46/48/80/1012464880.db2.gz YVLZOEINYKOLHM-PBHICJAKSA-N 2 1 323.437 -0.735 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001484253624 1012464952 /nfs/dbraw/zinc/46/49/52/1012464952.db2.gz YVLZOEINYKOLHM-YOEHRIQHSA-N 2 1 323.437 -0.735 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484700074 1012836736 /nfs/dbraw/zinc/83/67/36/1012836736.db2.gz XCGGGNXCEWRRPP-LSDHHAIUSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCO1 ZINC001484700071 1012837078 /nfs/dbraw/zinc/83/70/78/1012837078.db2.gz XCGGGNXCEWRRPP-GJZGRUSLSA-N 2 1 311.426 -0.042 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001484724181 1012842151 /nfs/dbraw/zinc/84/21/51/1012842151.db2.gz ODIHOCPKAIHDCP-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001484724181 1012842156 /nfs/dbraw/zinc/84/21/56/1012842156.db2.gz ODIHOCPKAIHDCP-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001484724181 1012842167 /nfs/dbraw/zinc/84/21/67/1012842167.db2.gz ODIHOCPKAIHDCP-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001484724181 1012842169 /nfs/dbraw/zinc/84/21/69/1012842169.db2.gz ODIHOCPKAIHDCP-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C ZINC001484736104 1012844711 /nfs/dbraw/zinc/84/47/11/1012844711.db2.gz GTJGIJMWDRWHKH-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC001484736104 1012844713 /nfs/dbraw/zinc/84/47/13/1012844713.db2.gz GTJGIJMWDRWHKH-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CCC[N@H+]1C ZINC001484736104 1012844722 /nfs/dbraw/zinc/84/47/22/1012844722.db2.gz GTJGIJMWDRWHKH-HUUCEWRRSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001484927139 1012897388 /nfs/dbraw/zinc/89/73/88/1012897388.db2.gz IZCIQNZOTRSWFT-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177650 1013040324 /nfs/dbraw/zinc/04/03/24/1013040324.db2.gz QZZHFMMPLYOODZ-CHWSQXEVSA-N 2 1 307.398 -0.023 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497889463 1017538522 /nfs/dbraw/zinc/53/85/22/1017538522.db2.gz IAWOSCRLFMZMDP-AGIUHOORSA-N 2 1 309.414 -0.549 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001499950245 1018215585 /nfs/dbraw/zinc/21/55/85/1018215585.db2.gz CONKUTLGLALHSO-ZDUSSCGKSA-N 2 1 318.381 -0.588 20 30 DBEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001500652778 1018388423 /nfs/dbraw/zinc/38/84/23/1018388423.db2.gz CGXXCOGEJMNSJM-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001500652778 1018388433 /nfs/dbraw/zinc/38/84/33/1018388433.db2.gz CGXXCOGEJMNSJM-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500652778 1018388442 /nfs/dbraw/zinc/38/84/42/1018388442.db2.gz CGXXCOGEJMNSJM-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001500652778 1018388452 /nfs/dbraw/zinc/38/84/52/1018388452.db2.gz CGXXCOGEJMNSJM-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001501459701 1018758961 /nfs/dbraw/zinc/75/89/61/1018758961.db2.gz YVGYHVCPJWCEDW-HUUCEWRRSA-N 2 1 311.426 -0.613 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1 ZINC001501982973 1018910647 /nfs/dbraw/zinc/91/06/47/1018910647.db2.gz MVPSIFYKPQICJT-UHFFFAOYSA-N 2 1 318.381 -0.540 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCO1 ZINC001502058805 1018958259 /nfs/dbraw/zinc/95/82/59/1018958259.db2.gz ZGQUAWURFZJSSB-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCO1 ZINC001502058805 1018958286 /nfs/dbraw/zinc/95/82/86/1018958286.db2.gz ZGQUAWURFZJSSB-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001502559740 1019086832 /nfs/dbraw/zinc/08/68/32/1019086832.db2.gz IGTXENHBZHBBTH-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001502559740 1019086855 /nfs/dbraw/zinc/08/68/55/1019086855.db2.gz IGTXENHBZHBBTH-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001502594313 1019104356 /nfs/dbraw/zinc/10/43/56/1019104356.db2.gz ZPLGORMRDRRQBW-INIZCTEOSA-N 2 1 311.426 -0.162 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502754875 1019166653 /nfs/dbraw/zinc/16/66/53/1019166653.db2.gz YMQBLUHQTANBOE-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022964 1019232266 /nfs/dbraw/zinc/23/22/66/1019232266.db2.gz IGZWSRZCPSWFAO-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022964 1019232282 /nfs/dbraw/zinc/23/22/82/1019232282.db2.gz IGZWSRZCPSWFAO-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022964 1019232289 /nfs/dbraw/zinc/23/22/89/1019232289.db2.gz IGZWSRZCPSWFAO-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001503022964 1019232305 /nfs/dbraw/zinc/23/23/05/1019232305.db2.gz IGZWSRZCPSWFAO-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC#CC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001574973140 1019335234 /nfs/dbraw/zinc/33/52/34/1019335234.db2.gz SSUKXBJKTLIFLS-UONOGXRCSA-N 2 1 324.425 -0.978 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001506961214 1020013515 /nfs/dbraw/zinc/01/35/15/1020013515.db2.gz UNTPCWYLCICQDK-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001506961214 1020013519 /nfs/dbraw/zinc/01/35/19/1020013519.db2.gz UNTPCWYLCICQDK-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001506961214 1020013521 /nfs/dbraw/zinc/01/35/21/1020013521.db2.gz UNTPCWYLCICQDK-CQSZACIVSA-N 2 1 321.425 -0.357 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507011292 1020042946 /nfs/dbraw/zinc/04/29/46/1020042946.db2.gz LUJXLGPHHKPUND-KBPBESRZSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC(N)=O)C1CC1 ZINC001507011292 1020042964 /nfs/dbraw/zinc/04/29/64/1020042964.db2.gz LUJXLGPHHKPUND-KBPBESRZSA-N 2 1 306.410 -0.604 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001577950300 1020153070 /nfs/dbraw/zinc/15/30/70/1020153070.db2.gz DFADFFISTMKNTM-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001577950300 1020153073 /nfs/dbraw/zinc/15/30/73/1020153073.db2.gz DFADFFISTMKNTM-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C1 ZINC001507331556 1020295078 /nfs/dbraw/zinc/29/50/78/1020295078.db2.gz LZBYGXRHSYJQAN-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001507709685 1020479383 /nfs/dbraw/zinc/47/93/83/1020479383.db2.gz ZMFULQLVPBEDAA-HNNXBMFYSA-N 2 1 311.426 -0.517 20 30 DBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)CC[NH+]1CCOCC1 ZINC001507709685 1020479396 /nfs/dbraw/zinc/47/93/96/1020479396.db2.gz ZMFULQLVPBEDAA-HNNXBMFYSA-N 2 1 311.426 -0.517 20 30 DBEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507730670 1020489399 /nfs/dbraw/zinc/48/93/99/1020489399.db2.gz VFSDAUDCXUOPKT-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507730670 1020489403 /nfs/dbraw/zinc/48/94/03/1020489403.db2.gz VFSDAUDCXUOPKT-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001507730670 1020489410 /nfs/dbraw/zinc/48/94/10/1020489410.db2.gz VFSDAUDCXUOPKT-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001507730670 1020489416 /nfs/dbraw/zinc/48/94/16/1020489416.db2.gz VFSDAUDCXUOPKT-CABCVRRESA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1OCC ZINC001565945415 1024092682 /nfs/dbraw/zinc/09/26/82/1024092682.db2.gz MOAFYUWDEDHUMW-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1OCC ZINC001565945415 1024092701 /nfs/dbraw/zinc/09/27/01/1024092701.db2.gz MOAFYUWDEDHUMW-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001566453224 1024173864 /nfs/dbraw/zinc/17/38/64/1024173864.db2.gz GNGUCMNEUPUUGP-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001566453224 1024173884 /nfs/dbraw/zinc/17/38/84/1024173884.db2.gz GNGUCMNEUPUUGP-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)CC(=O)NCC#N ZINC001566453224 1024173900 /nfs/dbraw/zinc/17/39/00/1024173900.db2.gz GNGUCMNEUPUUGP-CQSZACIVSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001566773901 1024368000 /nfs/dbraw/zinc/36/80/00/1024368000.db2.gz XXEYDMYRLOAAJX-AWEZNQCLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001567126991 1024533902 /nfs/dbraw/zinc/53/39/02/1024533902.db2.gz CDUVZZDUTIGXKG-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001567126991 1024533956 /nfs/dbraw/zinc/53/39/56/1024533956.db2.gz CDUVZZDUTIGXKG-OAGGEKHMSA-N 2 1 323.437 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001567146812 1024547564 /nfs/dbraw/zinc/54/75/64/1024547564.db2.gz JMXSMTXSBQMGJD-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567177972 1024556961 /nfs/dbraw/zinc/55/69/61/1024556961.db2.gz YMYZYNSWOLKBMK-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001567275110 1024596051 /nfs/dbraw/zinc/59/60/51/1024596051.db2.gz VIVRDUNUPZOZLA-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001567275110 1024596064 /nfs/dbraw/zinc/59/60/64/1024596064.db2.gz VIVRDUNUPZOZLA-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001567275110 1024596076 /nfs/dbraw/zinc/59/60/76/1024596076.db2.gz VIVRDUNUPZOZLA-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001567275110 1024596091 /nfs/dbraw/zinc/59/60/91/1024596091.db2.gz VIVRDUNUPZOZLA-KBPBESRZSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001567275111 1024600779 /nfs/dbraw/zinc/60/07/79/1024600779.db2.gz VIVRDUNUPZOZLA-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C)C1=O ZINC001567275111 1024600790 /nfs/dbraw/zinc/60/07/90/1024600790.db2.gz VIVRDUNUPZOZLA-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001567275111 1024600804 /nfs/dbraw/zinc/60/08/04/1024600804.db2.gz VIVRDUNUPZOZLA-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@H]([NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C)C1=O ZINC001567275111 1024600821 /nfs/dbraw/zinc/60/08/21/1024600821.db2.gz VIVRDUNUPZOZLA-KGLIPLIRSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001567275112 1024601977 /nfs/dbraw/zinc/60/19/77/1024601977.db2.gz VIVRDUNUPZOZLA-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C)C1=O ZINC001567275112 1024601980 /nfs/dbraw/zinc/60/19/80/1024601980.db2.gz VIVRDUNUPZOZLA-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1=O ZINC001567275112 1024601986 /nfs/dbraw/zinc/60/19/86/1024601986.db2.gz VIVRDUNUPZOZLA-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C)C1=O ZINC001567275112 1024601989 /nfs/dbraw/zinc/60/19/89/1024601989.db2.gz VIVRDUNUPZOZLA-UONOGXRCSA-N 2 1 308.426 -0.085 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](C)CCN1CCCC1=O ZINC001567286573 1024602934 /nfs/dbraw/zinc/60/29/34/1024602934.db2.gz OKPPVOMRKZMBAG-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](C)CCN1CCCC1=O ZINC001567286573 1024602937 /nfs/dbraw/zinc/60/29/37/1024602937.db2.gz OKPPVOMRKZMBAG-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1CCCC1=O ZINC001567286573 1024602941 /nfs/dbraw/zinc/60/29/41/1024602941.db2.gz OKPPVOMRKZMBAG-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCN1CCCC1=O ZINC001567286573 1024602947 /nfs/dbraw/zinc/60/29/47/1024602947.db2.gz OKPPVOMRKZMBAG-HNNXBMFYSA-N 2 1 320.437 -0.246 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416027 1024681209 /nfs/dbraw/zinc/68/12/09/1024681209.db2.gz SZMAWGBKIHPQKR-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP CC[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567416027 1024681218 /nfs/dbraw/zinc/68/12/18/1024681218.db2.gz SZMAWGBKIHPQKR-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410266 1024682693 /nfs/dbraw/zinc/68/26/93/1024682693.db2.gz YPJUJTHSEWVPSR-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410266 1024682711 /nfs/dbraw/zinc/68/27/11/1024682711.db2.gz YPJUJTHSEWVPSR-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001567410266 1024682727 /nfs/dbraw/zinc/68/27/27/1024682727.db2.gz YPJUJTHSEWVPSR-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001567410266 1024682737 /nfs/dbraw/zinc/68/27/37/1024682737.db2.gz YPJUJTHSEWVPSR-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001567418758 1024690071 /nfs/dbraw/zinc/69/00/71/1024690071.db2.gz AIFSQDCZTAGITE-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001567454482 1024702531 /nfs/dbraw/zinc/70/25/31/1024702531.db2.gz VUMAAQOASQVPNG-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001567454482 1024702562 /nfs/dbraw/zinc/70/25/62/1024702562.db2.gz VUMAAQOASQVPNG-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001567454482 1024702582 /nfs/dbraw/zinc/70/25/82/1024702582.db2.gz VUMAAQOASQVPNG-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CCNC(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC001567454482 1024702598 /nfs/dbraw/zinc/70/25/98/1024702598.db2.gz VUMAAQOASQVPNG-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@H+]21 ZINC001567515993 1024758224 /nfs/dbraw/zinc/75/82/24/1024758224.db2.gz FPZMUQWPQORVQT-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)COC)C1 ZINC001567832617 1024830509 /nfs/dbraw/zinc/83/05/09/1024830509.db2.gz RUEQEPLWDZCOBW-CABCVRRESA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)COC)C1 ZINC001567832617 1024830511 /nfs/dbraw/zinc/83/05/11/1024830511.db2.gz RUEQEPLWDZCOBW-CABCVRRESA-N 2 1 309.410 -0.861 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001568233200 1024881507 /nfs/dbraw/zinc/88/15/07/1024881507.db2.gz VJKIUCXQUIPRKZ-CYBMUJFWSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001568246296 1024882085 /nfs/dbraw/zinc/88/20/85/1024882085.db2.gz DPAQVXWLRFDBOA-AWEZNQCLSA-N 2 1 320.437 -0.294 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568273426 1024886016 /nfs/dbraw/zinc/88/60/16/1024886016.db2.gz LEGJYOKHEMSMPH-YNEHKIRRSA-N 2 1 309.414 -0.597 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)CCn1cncn1 ZINC001568485545 1024909816 /nfs/dbraw/zinc/90/98/16/1024909816.db2.gz ADPWEOQQSJJTGM-HNNXBMFYSA-N 2 1 318.425 -0.234 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)CCn1cncn1 ZINC001568485545 1024909827 /nfs/dbraw/zinc/90/98/27/1024909827.db2.gz ADPWEOQQSJJTGM-HNNXBMFYSA-N 2 1 318.425 -0.234 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCn1cncn1 ZINC001568485545 1024909836 /nfs/dbraw/zinc/90/98/36/1024909836.db2.gz ADPWEOQQSJJTGM-HNNXBMFYSA-N 2 1 318.425 -0.234 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCn1cncn1 ZINC001568485545 1024909851 /nfs/dbraw/zinc/90/98/51/1024909851.db2.gz ADPWEOQQSJJTGM-HNNXBMFYSA-N 2 1 318.425 -0.234 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC ZINC001568748680 1025002345 /nfs/dbraw/zinc/00/23/45/1025002345.db2.gz GSRKXRCVKQHMDM-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+][C@@H](C)C(=O)NC ZINC001568748680 1025002351 /nfs/dbraw/zinc/00/23/51/1025002351.db2.gz GSRKXRCVKQHMDM-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N(C)CC ZINC001568864194 1025054726 /nfs/dbraw/zinc/05/47/26/1025054726.db2.gz RYYKOAVCZVYUOK-LFAOLKIESA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)N(C)CC ZINC001568864194 1025054737 /nfs/dbraw/zinc/05/47/37/1025054737.db2.gz RYYKOAVCZVYUOK-LFAOLKIESA-N 2 1 320.437 -0.176 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001568964237 1025099855 /nfs/dbraw/zinc/09/98/55/1025099855.db2.gz PMUOXKBVQLRNEB-NWRQEBOHSA-N 2 1 320.437 -0.013 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001569152430 1025159033 /nfs/dbraw/zinc/15/90/33/1025159033.db2.gz BEWUGSIJRRLBTM-STQMWFEESA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)[C@@H](C)C(N)=O)CC1 ZINC001569152430 1025159034 /nfs/dbraw/zinc/15/90/34/1025159034.db2.gz BEWUGSIJRRLBTM-STQMWFEESA-N 2 1 308.426 -0.358 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307505 1025195018 /nfs/dbraw/zinc/19/50/18/1025195018.db2.gz JICIGRBSGYGRLZ-HUUCEWRRSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001569432271 1025247310 /nfs/dbraw/zinc/24/73/10/1025247310.db2.gz QQZNHYNNKYZHDV-BETUJISGSA-N 2 1 321.425 -0.263 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001569561239 1025275310 /nfs/dbraw/zinc/27/53/10/1025275310.db2.gz PTWJVMCHROLMEL-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP COCC#CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)C2)CCOCC1 ZINC001569735503 1025315181 /nfs/dbraw/zinc/31/51/81/1025315181.db2.gz AHTMAGVNCMGRPA-HNNXBMFYSA-N 2 1 323.437 -0.157 20 30 DBEDMP CC#CC[N@@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001569763663 1025341756 /nfs/dbraw/zinc/34/17/56/1025341756.db2.gz SRSRHBXDGADPHV-MRXNPFEDSA-N 2 1 309.410 -0.715 20 30 DBEDMP CC#CC[N@H+]1CC[C@@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001569763663 1025341776 /nfs/dbraw/zinc/34/17/76/1025341776.db2.gz SRSRHBXDGADPHV-MRXNPFEDSA-N 2 1 309.410 -0.715 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001569984843 1025451081 /nfs/dbraw/zinc/45/10/81/1025451081.db2.gz YWIFKANEVZRLNT-KGLIPLIRSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC(N)=O)C1 ZINC001569984843 1025451088 /nfs/dbraw/zinc/45/10/88/1025451088.db2.gz YWIFKANEVZRLNT-KGLIPLIRSA-N 2 1 306.410 -0.603 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163717 1025506770 /nfs/dbraw/zinc/50/67/70/1025506770.db2.gz OINNRHBTECQIDC-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163717 1025506781 /nfs/dbraw/zinc/50/67/81/1025506781.db2.gz OINNRHBTECQIDC-GJZGRUSLSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)[C@H]1CCNC1=O ZINC001570199035 1025519822 /nfs/dbraw/zinc/51/98/22/1025519822.db2.gz VHDPPPSVXJIHRR-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)[C@H]1CCNC1=O ZINC001570199035 1025519862 /nfs/dbraw/zinc/51/98/62/1025519862.db2.gz VHDPPPSVXJIHRR-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001570199035 1025519891 /nfs/dbraw/zinc/51/98/91/1025519891.db2.gz VHDPPPSVXJIHRR-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)[C@H]1CCNC1=O ZINC001570199035 1025519919 /nfs/dbraw/zinc/51/99/19/1025519919.db2.gz VHDPPPSVXJIHRR-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001570294511 1025568496 /nfs/dbraw/zinc/56/84/96/1025568496.db2.gz WEBKRKKKTHBCCH-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001570294511 1025568500 /nfs/dbraw/zinc/56/85/00/1025568500.db2.gz WEBKRKKKTHBCCH-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP C[C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001570343778 1025579824 /nfs/dbraw/zinc/57/98/24/1025579824.db2.gz DORWYGKCPBCSBN-OCCSQVGLSA-N 2 1 321.425 -0.453 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001570462602 1025623793 /nfs/dbraw/zinc/62/37/93/1025623793.db2.gz BMTHKTNSMDNUDC-NSHDSACASA-N 2 1 306.370 -0.684 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570733604 1025725369 /nfs/dbraw/zinc/72/53/69/1025725369.db2.gz CWMFJLCFXMOEDT-DZGCQCFKSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570733604 1025725382 /nfs/dbraw/zinc/72/53/82/1025725382.db2.gz CWMFJLCFXMOEDT-DZGCQCFKSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001571328825 1025892834 /nfs/dbraw/zinc/89/28/34/1025892834.db2.gz IQIXRFHBGPSWFI-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001571328825 1025892836 /nfs/dbraw/zinc/89/28/36/1025892836.db2.gz IQIXRFHBGPSWFI-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001571328825 1025892838 /nfs/dbraw/zinc/89/28/38/1025892838.db2.gz IQIXRFHBGPSWFI-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001571392608 1025925190 /nfs/dbraw/zinc/92/51/90/1025925190.db2.gz AEVUCEFCMIDFMC-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001571523313 1026058475 /nfs/dbraw/zinc/05/84/75/1026058475.db2.gz RBQPWTLGMCGTQR-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]1C ZINC001571523313 1026058489 /nfs/dbraw/zinc/05/84/89/1026058489.db2.gz RBQPWTLGMCGTQR-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C1 ZINC000264095992 529792328 /nfs/dbraw/zinc/79/23/28/529792328.db2.gz MQSKRLVDAQZBGI-ZDUSSCGKSA-N 2 1 303.414 -0.135 20 30 DBEDMP COC(=O)[C@@H]1CC[NH+](CC#CC[N@@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000283935854 335008869 /nfs/dbraw/zinc/00/88/69/335008869.db2.gz CUSJNIAVXGUUNO-ZIAGYGMSSA-N 2 1 308.378 -0.020 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000285054858 335019455 /nfs/dbraw/zinc/01/94/55/335019455.db2.gz OLEORXSKIPQKLA-UHFFFAOYSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCC(=O)N2CCN(C)CC2)C1=O ZINC000282572419 378325328 /nfs/dbraw/zinc/32/53/28/378325328.db2.gz VGYCWZVQBQXFNP-AWEZNQCLSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CCN1CC[C@H]([N@H+](C)CCC(=O)N2CC[NH+](C)CC2)C1=O ZINC000282572419 378325340 /nfs/dbraw/zinc/32/53/40/378325340.db2.gz VGYCWZVQBQXFNP-AWEZNQCLSA-N 2 1 308.426 -0.131 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000491405553 393812545 /nfs/dbraw/zinc/81/25/45/393812545.db2.gz JMIOVFPJDZKLFQ-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)CC1 ZINC000491752659 393828761 /nfs/dbraw/zinc/82/87/61/393828761.db2.gz MJQPCHTUSMKBTC-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN1CCN(C(=O)CN(C[C@H]2CCC(=O)N2)C(C)C)CC1 ZINC000491752659 393828764 /nfs/dbraw/zinc/82/87/64/393828764.db2.gz MJQPCHTUSMKBTC-OAHLLOKOSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000491782900 393831590 /nfs/dbraw/zinc/83/15/90/393831590.db2.gz MWCVLDXYZJAHAM-OAHLLOKOSA-N 2 1 309.458 -0.123 20 30 DBEDMP Cc1ccc(CNC(=[NH2+])NCCC[NH+]2CCOCC2)c(=O)n1C ZINC000278613466 334098773 /nfs/dbraw/zinc/09/87/73/334098773.db2.gz WJRBYRZKTYVOHM-UHFFFAOYSA-N 2 1 321.425 -0.180 20 30 DBEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174725520 526586616 /nfs/dbraw/zinc/58/66/16/526586616.db2.gz UTRGPSJWPMZLLZ-UHFFFAOYSA-N 2 1 311.430 -0.433 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@H+](CCCO)C[C@H]21 ZINC000978287099 665531472 /nfs/dbraw/zinc/53/14/72/665531472.db2.gz YJEIDQLRRWELPS-JONQDZQNSA-N 2 1 305.422 -0.240 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[N@@H+](CCCO)C[C@H]21 ZINC000978287099 665531474 /nfs/dbraw/zinc/53/14/74/665531474.db2.gz YJEIDQLRRWELPS-JONQDZQNSA-N 2 1 305.422 -0.240 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000978287099 665531475 /nfs/dbraw/zinc/53/14/75/665531475.db2.gz YJEIDQLRRWELPS-JONQDZQNSA-N 2 1 305.422 -0.240 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1[C@H]2C[NH+](CCCO)C[C@H]21 ZINC000978287099 665531477 /nfs/dbraw/zinc/53/14/77/665531477.db2.gz YJEIDQLRRWELPS-JONQDZQNSA-N 2 1 305.422 -0.240 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CCO)C[C@H]32)CC1 ZINC000979085256 665600973 /nfs/dbraw/zinc/60/09/73/665600973.db2.gz FXKQWKJYNVUMQA-PHZGNYQRSA-N 2 1 305.422 -0.382 20 30 DBEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000261663714 665964068 /nfs/dbraw/zinc/96/40/68/665964068.db2.gz BDVYNYQQGYHPNY-ZYHUDNBSSA-N 2 1 317.459 -0.817 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@@H]1C ZINC000261664642 665964406 /nfs/dbraw/zinc/96/44/06/665964406.db2.gz BFJWHUNCGBZNRE-NUEKZKHPSA-N 2 1 320.485 -0.366 20 30 DBEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970189374 663938986 /nfs/dbraw/zinc/93/89/86/663938986.db2.gz DQYAHLNDIOOWLS-RXAYYZCOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970189374 663938990 /nfs/dbraw/zinc/93/89/90/663938990.db2.gz DQYAHLNDIOOWLS-RXAYYZCOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970189373 663939051 /nfs/dbraw/zinc/93/90/51/663939051.db2.gz DQYAHLNDIOOWLS-KKVZTGDRSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970189373 663939056 /nfs/dbraw/zinc/93/90/56/663939056.db2.gz DQYAHLNDIOOWLS-KKVZTGDRSA-N 2 1 303.406 -0.081 20 30 DBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021049042 663940361 /nfs/dbraw/zinc/94/03/61/663940361.db2.gz GBVFEGKPUNYNPV-AJNGGQMLSA-N 2 1 320.437 -0.038 20 30 DBEDMP C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001021049044 663940718 /nfs/dbraw/zinc/94/07/18/663940718.db2.gz GBVFEGKPUNYNPV-TUVASFSCSA-N 2 1 320.437 -0.038 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022220983 664238934 /nfs/dbraw/zinc/23/89/34/664238934.db2.gz VFWLMTOUZKIJJH-RQJABVFESA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001022220983 664238937 /nfs/dbraw/zinc/23/89/37/664238937.db2.gz VFWLMTOUZKIJJH-RQJABVFESA-N 2 1 304.394 -0.791 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001022221957 664239928 /nfs/dbraw/zinc/23/99/28/664239928.db2.gz TWJVWZWHGMOBOV-BARDWOONSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001022221957 664239932 /nfs/dbraw/zinc/23/99/32/664239932.db2.gz TWJVWZWHGMOBOV-BARDWOONSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814014 665090703 /nfs/dbraw/zinc/09/07/03/665090703.db2.gz BISYPRLEQRZJFU-XPABHHOTSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814014 665090704 /nfs/dbraw/zinc/09/07/04/665090704.db2.gz BISYPRLEQRZJFU-XPABHHOTSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814014 665090705 /nfs/dbraw/zinc/09/07/05/665090705.db2.gz BISYPRLEQRZJFU-XPABHHOTSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCNC3=O)C[C@H]21 ZINC001025814014 665090706 /nfs/dbraw/zinc/09/07/06/665090706.db2.gz BISYPRLEQRZJFU-XPABHHOTSA-N 2 1 316.405 -0.981 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000730284133 674967426 /nfs/dbraw/zinc/96/74/26/674967426.db2.gz QCASHJAWLRPYQB-GJZGRUSLSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000730284133 674967428 /nfs/dbraw/zinc/96/74/28/674967428.db2.gz QCASHJAWLRPYQB-GJZGRUSLSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000730284133 674967429 /nfs/dbraw/zinc/96/74/29/674967429.db2.gz QCASHJAWLRPYQB-GJZGRUSLSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+]1CCC[C@H](C(N)=O)C1 ZINC000730284133 674967432 /nfs/dbraw/zinc/96/74/32/674967432.db2.gz QCASHJAWLRPYQB-GJZGRUSLSA-N 2 1 320.437 -0.212 20 30 DBEDMP C[NH+]=C(NCCn1cncn1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261763195 670852422 /nfs/dbraw/zinc/85/24/22/670852422.db2.gz OLNUBICLAVCHCC-AWEZNQCLSA-N 2 1 321.429 -0.492 20 30 DBEDMP C=C1[C@H](C(=O)NC[C@@H]2CC[NH+]2C)[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928557045 671324492 /nfs/dbraw/zinc/32/44/92/671324492.db2.gz YKFGIRMIHXQKMW-XUXIUFHCSA-N 2 1 306.410 -0.571 20 30 DBEDMP C#CC[N@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896487844 671397142 /nfs/dbraw/zinc/39/71/42/671397142.db2.gz FGRRWMMDPZLOFW-AWEZNQCLSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H](NC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000896487844 671397149 /nfs/dbraw/zinc/39/71/49/671397149.db2.gz FGRRWMMDPZLOFW-AWEZNQCLSA-N 2 1 308.426 -0.160 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001030019202 671854937 /nfs/dbraw/zinc/85/49/37/671854937.db2.gz OBYFFZGGRRSUKY-KKUMJFAQSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000994756247 677510762 /nfs/dbraw/zinc/51/07/62/677510762.db2.gz WDMPUWXAMGTBEM-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000994756247 677510764 /nfs/dbraw/zinc/51/07/64/677510764.db2.gz WDMPUWXAMGTBEM-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000994756247 677510767 /nfs/dbraw/zinc/51/07/67/677510767.db2.gz WDMPUWXAMGTBEM-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000994756247 677510769 /nfs/dbraw/zinc/51/07/69/677510769.db2.gz WDMPUWXAMGTBEM-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000994756247 677510770 /nfs/dbraw/zinc/51/07/70/677510770.db2.gz WDMPUWXAMGTBEM-ZFWWWQNUSA-N 2 1 318.421 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345596 677787835 /nfs/dbraw/zinc/78/78/35/677787835.db2.gz YOMUKFFLTDGIQF-MRXNPFEDSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345596 677787838 /nfs/dbraw/zinc/78/78/38/677787838.db2.gz YOMUKFFLTDGIQF-MRXNPFEDSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996687481 678279726 /nfs/dbraw/zinc/27/97/26/678279726.db2.gz WWMFAFOIPOXBDO-CABCVRRESA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000996687481 678279729 /nfs/dbraw/zinc/27/97/29/678279729.db2.gz WWMFAFOIPOXBDO-CABCVRRESA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043359 678792788 /nfs/dbraw/zinc/79/27/88/678792788.db2.gz KEPKOCAILVZARE-HIFRSBDPSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043359 678792789 /nfs/dbraw/zinc/79/27/89/678792789.db2.gz KEPKOCAILVZARE-HIFRSBDPSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043359 678792794 /nfs/dbraw/zinc/79/27/94/678792794.db2.gz KEPKOCAILVZARE-HIFRSBDPSA-N 2 1 316.409 -0.274 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@@H+]1CCCOCC1 ZINC000849021013 805855388 /nfs/dbraw/zinc/85/53/88/805855388.db2.gz GNNNGUZKZFQGAG-UHFFFAOYSA-N 2 1 313.446 -0.794 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)NCC[N@H+]1CCCOCC1 ZINC000849021013 805855397 /nfs/dbraw/zinc/85/53/97/805855397.db2.gz GNNNGUZKZFQGAG-UHFFFAOYSA-N 2 1 313.446 -0.794 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001316634665 805972591 /nfs/dbraw/zinc/97/25/91/805972591.db2.gz JGIRHTVGQFKGSE-KBUPBQIOSA-N 2 1 320.437 -0.297 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316635813 805972800 /nfs/dbraw/zinc/97/28/00/805972800.db2.gz TZGUVOXNXCPRAO-MGPQQGTHSA-N 2 1 308.426 -0.133 20 30 DBEDMP C[N@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001316640295 805973824 /nfs/dbraw/zinc/97/38/24/805973824.db2.gz VCAHJNYNNIXEND-IHRRRGAJSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)C[N@H+](C)C(C)C)n1 ZINC001316721156 805979754 /nfs/dbraw/zinc/97/97/54/805979754.db2.gz VOMSNGDXKNKOAT-UHFFFAOYSA-N 2 1 305.382 -0.139 20 30 DBEDMP C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)CN1CC[NH+](C)CC1 ZINC000852873580 805984893 /nfs/dbraw/zinc/98/48/93/805984893.db2.gz ZDEFBSADRXAIHT-HNNXBMFYSA-N 2 1 306.454 -0.011 20 30 DBEDMP C#CCNC(=O)C[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001316927212 806034058 /nfs/dbraw/zinc/03/40/58/806034058.db2.gz RQKJXLBZHOVORS-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001316927212 806034067 /nfs/dbraw/zinc/03/40/67/806034067.db2.gz RQKJXLBZHOVORS-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)C1CC1 ZINC001316927212 806034076 /nfs/dbraw/zinc/03/40/76/806034076.db2.gz RQKJXLBZHOVORS-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001316936921 806036215 /nfs/dbraw/zinc/03/62/15/806036215.db2.gz IKQWKAMOBUAKAD-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001316936921 806036223 /nfs/dbraw/zinc/03/62/23/806036223.db2.gz IKQWKAMOBUAKAD-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001316936406 806036429 /nfs/dbraw/zinc/03/64/29/806036429.db2.gz WZVILYYQDCBRTB-CQSZACIVSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317001517 806068539 /nfs/dbraw/zinc/06/85/39/806068539.db2.gz LZIZFLAMDXKKHH-ZDUSSCGKSA-N 2 1 321.425 -0.451 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001317096854 806087784 /nfs/dbraw/zinc/08/77/84/806087784.db2.gz LNVCDQMRSRHKTB-MGPQQGTHSA-N 2 1 324.425 -0.754 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001317096854 806087792 /nfs/dbraw/zinc/08/77/92/806087792.db2.gz LNVCDQMRSRHKTB-MGPQQGTHSA-N 2 1 324.425 -0.754 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001317124703 806093580 /nfs/dbraw/zinc/09/35/80/806093580.db2.gz VWQRHMYEZUBQBJ-ZQDZILKHSA-N 2 1 320.437 -0.297 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001317145840 806098982 /nfs/dbraw/zinc/09/89/82/806098982.db2.gz FRYGMXMDAGQXOE-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001317145840 806098989 /nfs/dbraw/zinc/09/89/89/806098989.db2.gz FRYGMXMDAGQXOE-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317467771 806159680 /nfs/dbraw/zinc/15/96/80/806159680.db2.gz JQFKNGPYBKFAFZ-UONOGXRCSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001317467771 806159685 /nfs/dbraw/zinc/15/96/85/806159685.db2.gz JQFKNGPYBKFAFZ-UONOGXRCSA-N 2 1 310.442 -0.242 20 30 DBEDMP N#CCNC(=O)C[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559248 806186301 /nfs/dbraw/zinc/18/63/01/806186301.db2.gz VDCRYASEPRWHTI-UHFFFAOYSA-N 2 1 319.409 -0.697 20 30 DBEDMP N#CCNC(=O)C[N@@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC001317559248 806186303 /nfs/dbraw/zinc/18/63/03/806186303.db2.gz VDCRYASEPRWHTI-UHFFFAOYSA-N 2 1 319.409 -0.697 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NCC#N ZINC001317593240 806198525 /nfs/dbraw/zinc/19/85/25/806198525.db2.gz QNEAZFVPVUDHER-ZDUSSCGKSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422778 806296535 /nfs/dbraw/zinc/29/65/35/806296535.db2.gz BIWUSHMVTNPSKO-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CCC[NH+](C)C)C1 ZINC001318422778 806296538 /nfs/dbraw/zinc/29/65/38/806296538.db2.gz BIWUSHMVTNPSKO-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC ZINC001319080703 806344075 /nfs/dbraw/zinc/34/40/75/806344075.db2.gz IBWPQBAIAZOFEK-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC ZINC001319080703 806344085 /nfs/dbraw/zinc/34/40/85/806344085.db2.gz IBWPQBAIAZOFEK-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466543 806383104 /nfs/dbraw/zinc/38/31/04/806383104.db2.gz LYSPHGINLDSXOX-KGLIPLIRSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001319642833 806399912 /nfs/dbraw/zinc/39/99/12/806399912.db2.gz KVQCZIJDBWNSBK-GJZGRUSLSA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C[C@H](O)COC ZINC001322178710 806718678 /nfs/dbraw/zinc/71/86/78/806718678.db2.gz ZBTJQQLVWDYLQE-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@@H+](C)C[C@H](O)COC ZINC001322178710 806718682 /nfs/dbraw/zinc/71/86/82/806718682.db2.gz ZBTJQQLVWDYLQE-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C[C@H](O)COC ZINC001322178710 806718688 /nfs/dbraw/zinc/71/86/88/806718688.db2.gz ZBTJQQLVWDYLQE-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C[C@H](O)COC ZINC001322178710 806718693 /nfs/dbraw/zinc/71/86/93/806718693.db2.gz ZBTJQQLVWDYLQE-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)C[C@H](O)COC ZINC001322178710 806718698 /nfs/dbraw/zinc/71/86/98/806718698.db2.gz ZBTJQQLVWDYLQE-ILXRZTDVSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298715 806732298 /nfs/dbraw/zinc/73/22/98/806732298.db2.gz NGTUEAKSHDGADH-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298715 806732304 /nfs/dbraw/zinc/73/23/04/806732304.db2.gz NGTUEAKSHDGADH-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000876808215 806807344 /nfs/dbraw/zinc/80/73/44/806807344.db2.gz OYLKBFYRNXSAHG-VXGBXAGGSA-N 2 1 314.817 -0.121 20 30 DBEDMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803535 806807693 /nfs/dbraw/zinc/80/76/93/806807693.db2.gz WTORDFYFACREMM-SOUVJXGZSA-N 2 1 301.394 -0.327 20 30 DBEDMP C[N@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803532 806807755 /nfs/dbraw/zinc/80/77/55/806807755.db2.gz WTORDFYFACREMM-ILXRZTDVSA-N 2 1 301.394 -0.327 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)C1 ZINC001324273131 806958062 /nfs/dbraw/zinc/95/80/62/806958062.db2.gz HHCBVXOCXOBADF-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)C1 ZINC001324273131 806958068 /nfs/dbraw/zinc/95/80/68/806958068.db2.gz HHCBVXOCXOBADF-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001324707139 807001311 /nfs/dbraw/zinc/00/13/11/807001311.db2.gz ONVZKRWVYKIAKI-RDJZCZTQSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001324707139 807001317 /nfs/dbraw/zinc/00/13/17/807001317.db2.gz ONVZKRWVYKIAKI-RDJZCZTQSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001277997906 803740300 /nfs/dbraw/zinc/74/03/00/803740300.db2.gz VOZKTAZJOBMOSI-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001278194320 803766168 /nfs/dbraw/zinc/76/61/68/803766168.db2.gz KFUNCRSFMLWSCC-AWEZNQCLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC(N)=O)CC1 ZINC001278194320 803766169 /nfs/dbraw/zinc/76/61/69/803766169.db2.gz KFUNCRSFMLWSCC-AWEZNQCLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C[C@@H]1[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001278262656 803772110 /nfs/dbraw/zinc/77/21/10/803772110.db2.gz DKCWUBGEVKCVGH-TZMCWYRMSA-N 2 1 321.425 -0.311 20 30 DBEDMP COCC#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278402475 803788511 /nfs/dbraw/zinc/78/85/11/803788511.db2.gz APJVWQNBTQNKKM-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001278416161 803789861 /nfs/dbraw/zinc/78/98/61/803789861.db2.gz KNKFWZRYYRQENH-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CN(S(C)(=O)=O)C1 ZINC000186886110 803824271 /nfs/dbraw/zinc/82/42/71/803824271.db2.gz QUKYRHWFXQCAML-GFCCVEGCSA-N 2 1 317.459 -0.734 20 30 DBEDMP Cn1cc(CCCNC(=[NH2+])NCCC[NH+]2CCOCC2)cn1 ZINC000303979900 803835802 /nfs/dbraw/zinc/83/58/02/803835802.db2.gz NPCUDXVRHMXFMP-UHFFFAOYSA-N 2 1 308.430 -0.021 20 30 DBEDMP COC[C@@H](C)NC(=[NH2+])NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000303982501 803836253 /nfs/dbraw/zinc/83/62/53/803836253.db2.gz QDVKXHNDQRKTGG-OLZOCXBDSA-N 2 1 313.446 -0.132 20 30 DBEDMP NC(=O)[C@@H]1CCC[N@@H+](CCCNC(=[NH2+])N2CCSCC2)C1 ZINC000303984875 803836402 /nfs/dbraw/zinc/83/64/02/803836402.db2.gz SOKNNURORNICBH-GFCCVEGCSA-N 2 1 313.471 -0.063 20 30 DBEDMP CC[C@H](C)NC(=O)CCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303880619 803836856 /nfs/dbraw/zinc/83/68/56/803836856.db2.gz KIQXEEYBSUZDFJ-ZDUSSCGKSA-N 2 1 313.446 -0.082 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C(C)C)C1 ZINC001278828950 803839742 /nfs/dbraw/zinc/83/97/42/803839742.db2.gz ROIDCLAGMNJPBJ-INIZCTEOSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001278828950 803839751 /nfs/dbraw/zinc/83/97/51/803839751.db2.gz ROIDCLAGMNJPBJ-INIZCTEOSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001278828950 803839757 /nfs/dbraw/zinc/83/97/57/803839757.db2.gz ROIDCLAGMNJPBJ-INIZCTEOSA-N 2 1 311.426 -0.471 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280296370 803944846 /nfs/dbraw/zinc/94/48/46/803944846.db2.gz NHHMJEFGLAEUQM-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280296374 803945178 /nfs/dbraw/zinc/94/51/78/803945178.db2.gz NHHMJEFGLAEUQM-KGLIPLIRSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001280433817 803957969 /nfs/dbraw/zinc/95/79/69/803957969.db2.gz DDBYGKMTCIBRHX-ZIAGYGMSSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001281169743 804114254 /nfs/dbraw/zinc/11/42/54/804114254.db2.gz YKIXGCIELXESNH-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001281283455 804147900 /nfs/dbraw/zinc/14/79/00/804147900.db2.gz SNHJYTBGGYSAMQ-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCC[NH2+]CC1(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001281283455 804147908 /nfs/dbraw/zinc/14/79/08/804147908.db2.gz SNHJYTBGGYSAMQ-HNNXBMFYSA-N 2 1 323.437 -0.015 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1C ZINC001281462045 804177221 /nfs/dbraw/zinc/17/72/21/804177221.db2.gz MOSJQKFGEHZHID-JSGCOSHPSA-N 2 1 319.409 -0.070 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001281722167 804212630 /nfs/dbraw/zinc/21/26/30/804212630.db2.gz POONLQZSAPFWLC-KKUMJFAQSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@H]1CCCNC1=O ZINC001281722167 804212635 /nfs/dbraw/zinc/21/26/35/804212635.db2.gz POONLQZSAPFWLC-KKUMJFAQSA-N 2 1 320.437 -0.153 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964164 804238513 /nfs/dbraw/zinc/23/85/13/804238513.db2.gz CCJZQPPVDGFQBU-KGLIPLIRSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001281964164 804238521 /nfs/dbraw/zinc/23/85/21/804238521.db2.gz CCJZQPPVDGFQBU-KGLIPLIRSA-N 2 1 323.441 -0.111 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001283052079 804396591 /nfs/dbraw/zinc/39/65/91/804396591.db2.gz XWSMWVKHKDGPHG-FPCVCCKLSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001283052079 804396599 /nfs/dbraw/zinc/39/65/99/804396599.db2.gz XWSMWVKHKDGPHG-FPCVCCKLSA-N 2 1 323.437 -0.424 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001283102702 804414649 /nfs/dbraw/zinc/41/46/49/804414649.db2.gz XDGUKVHXZARMGT-HDJSIYSDSA-N 2 1 319.409 -0.022 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001283617748 804539968 /nfs/dbraw/zinc/53/99/68/804539968.db2.gz LHKDVOABGVIKKU-CABCVRRESA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001283617748 804539969 /nfs/dbraw/zinc/53/99/69/804539969.db2.gz LHKDVOABGVIKKU-CABCVRRESA-N 2 1 318.421 -0.730 20 30 DBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001283804827 804577409 /nfs/dbraw/zinc/57/74/09/804577409.db2.gz OIEHCXXCKCUYBA-KGLIPLIRSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC001284346105 804688023 /nfs/dbraw/zinc/68/80/23/804688023.db2.gz FTBXSBNPVZQIGL-KBPBESRZSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001292770204 805337890 /nfs/dbraw/zinc/33/78/90/805337890.db2.gz ZDNHLBPUBWGRLJ-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)C[NH+]1CCCC1 ZINC001292770204 805337898 /nfs/dbraw/zinc/33/78/98/805337898.db2.gz ZDNHLBPUBWGRLJ-AWEZNQCLSA-N 2 1 306.410 -0.588 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001292917614 805358640 /nfs/dbraw/zinc/35/86/40/805358640.db2.gz UDQDYDJXJRKAFV-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H](CC)[NH+](C)C ZINC001292917614 805358648 /nfs/dbraw/zinc/35/86/48/805358648.db2.gz UDQDYDJXJRKAFV-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325160051 807043104 /nfs/dbraw/zinc/04/31/04/807043104.db2.gz JHFPVZZCTYPKAJ-HOCLYGCPSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325160051 807043110 /nfs/dbraw/zinc/04/31/10/807043110.db2.gz JHFPVZZCTYPKAJ-HOCLYGCPSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325160051 807043114 /nfs/dbraw/zinc/04/31/14/807043114.db2.gz JHFPVZZCTYPKAJ-HOCLYGCPSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001325160050 807043641 /nfs/dbraw/zinc/04/36/41/807043641.db2.gz JHFPVZZCTYPKAJ-GOEBONIOSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001325160050 807043650 /nfs/dbraw/zinc/04/36/50/807043650.db2.gz JHFPVZZCTYPKAJ-GOEBONIOSA-N 2 1 309.410 -0.859 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001325160050 807043657 /nfs/dbraw/zinc/04/36/57/807043657.db2.gz JHFPVZZCTYPKAJ-GOEBONIOSA-N 2 1 309.410 -0.859 20 30 DBEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@H+](CC)CCO2)CCOCC1 ZINC001327670929 807321611 /nfs/dbraw/zinc/32/16/11/807321611.db2.gz BXIIDYLZIHKTMG-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP CC#CC[NH2+]CC1(NC(=O)[C@H]2C[N@@H+](CC)CCO2)CCOCC1 ZINC001327670929 807321618 /nfs/dbraw/zinc/32/16/18/807321618.db2.gz BXIIDYLZIHKTMG-OAHLLOKOSA-N 2 1 323.437 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001327958633 807361930 /nfs/dbraw/zinc/36/19/30/807361930.db2.gz MPCJDQFRMVORRB-UONOGXRCSA-N 2 1 308.426 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330070996 807669005 /nfs/dbraw/zinc/66/90/05/807669005.db2.gz MONHHGBAJNVTRP-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330070996 807669010 /nfs/dbraw/zinc/66/90/10/807669010.db2.gz MONHHGBAJNVTRP-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C[NH+]3CCCC3)[C@@H]2C1 ZINC001330367100 807704753 /nfs/dbraw/zinc/70/47/53/807704753.db2.gz WARPLLMLWGDUCZ-QKDCVEJESA-N 2 1 318.421 -0.874 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001331473575 807793863 /nfs/dbraw/zinc/79/38/63/807793863.db2.gz GUJYZKIUZLJMNV-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC(=O)N(C)C ZINC001331473575 807793869 /nfs/dbraw/zinc/79/38/69/807793869.db2.gz GUJYZKIUZLJMNV-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332361005 807904819 /nfs/dbraw/zinc/90/48/19/807904819.db2.gz KHCVYFFPPBBTKA-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CC(N)=O)[C@@H](C)C2)CC1 ZINC000948069297 808255103 /nfs/dbraw/zinc/25/51/03/808255103.db2.gz FNJGKBLDIKGLDP-DZGCQCFKSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](CC(N)=O)[C@@H](C)C2)CC1 ZINC000948069297 808255110 /nfs/dbraw/zinc/25/51/10/808255110.db2.gz FNJGKBLDIKGLDP-DZGCQCFKSA-N 2 1 320.437 -0.214 20 30 DBEDMP C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000958468464 809922212 /nfs/dbraw/zinc/92/22/12/809922212.db2.gz YFQMYKIMNHOGCB-ZFWWWQNUSA-N 2 1 321.425 -0.347 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC000958468463 809922459 /nfs/dbraw/zinc/92/24/59/809922459.db2.gz YFQMYKIMNHOGCB-UKRRQHHQSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC#CC)C[C@H]2O)CC1 ZINC000958723751 810012380 /nfs/dbraw/zinc/01/23/80/810012380.db2.gz JMKNVLPEXYHAIH-DLBZAZTESA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CCF)C[C@H]2O)CC1 ZINC000958723897 810012465 /nfs/dbraw/zinc/01/24/65/810012465.db2.gz JZJVQDLCGXQHQM-HUUCEWRRSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CCF)C[C@H]2O)CC1 ZINC000958723897 810012470 /nfs/dbraw/zinc/01/24/70/810012470.db2.gz JZJVQDLCGXQHQM-HUUCEWRRSA-N 2 1 311.401 -0.290 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC=C)C[C@H]2O)CC1 ZINC000958723697 810012489 /nfs/dbraw/zinc/01/24/89/810012489.db2.gz IXGCXNLDQASRCV-HZPDHXFCSA-N 2 1 305.422 -0.074 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000959951618 810141705 /nfs/dbraw/zinc/14/17/05/810141705.db2.gz IXBALIOTOXUKFM-NHAGDIPZSA-N 2 1 301.394 -0.262 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961286870 810259927 /nfs/dbraw/zinc/25/99/27/810259927.db2.gz ZKOGGKGVDHISCO-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961286870 810259930 /nfs/dbraw/zinc/25/99/30/810259930.db2.gz ZKOGGKGVDHISCO-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP CC#CC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961286870 810259935 /nfs/dbraw/zinc/25/99/35/810259935.db2.gz ZKOGGKGVDHISCO-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CCCO)C[C@H]32)CC1 ZINC000962772454 810580080 /nfs/dbraw/zinc/58/00/80/810580080.db2.gz INPQFUXZZPQAEF-ZSHCYNCHSA-N 2 1 305.422 -0.240 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC000968956706 811521250 /nfs/dbraw/zinc/52/12/50/811521250.db2.gz UXDHYBHQNRANKO-MCIONIFRSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](CC)C(N)=O)C1 ZINC000968956706 811521258 /nfs/dbraw/zinc/52/12/58/811521258.db2.gz UXDHYBHQNRANKO-MCIONIFRSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001018984969 814037481 /nfs/dbraw/zinc/03/74/81/814037481.db2.gz HHXCDSIRUMRVQK-ZNMIVQPWSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCN(C)C2=O)C1 ZINC001018984969 814037485 /nfs/dbraw/zinc/03/74/85/814037485.db2.gz HHXCDSIRUMRVQK-ZNMIVQPWSA-N 2 1 318.421 -0.495 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020251560 814336804 /nfs/dbraw/zinc/33/68/04/814336804.db2.gz TWJVWZWHGMOBOV-AJNGGQMLSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCN(C)C2=O)C1 ZINC001020251560 814336811 /nfs/dbraw/zinc/33/68/11/814336811.db2.gz TWJVWZWHGMOBOV-AJNGGQMLSA-N 2 1 318.421 -0.449 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001034962311 814756043 /nfs/dbraw/zinc/75/60/43/814756043.db2.gz IBTMHKPIHCRIRR-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCNC1=O ZINC001034962311 814756047 /nfs/dbraw/zinc/75/60/47/814756047.db2.gz IBTMHKPIHCRIRR-KFWWJZLASA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC2(C)CC[NH+](CC(N)=O)CC2)CC1 ZINC001045647078 816670386 /nfs/dbraw/zinc/67/03/86/816670386.db2.gz QKIQZRPTHLNTIV-UHFFFAOYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001047381595 817099863 /nfs/dbraw/zinc/09/98/63/817099863.db2.gz ODKMJXQBXODVHR-PMPSAXMXSA-N 2 1 305.422 -0.145 20 30 DBEDMP C#CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424647 817125466 /nfs/dbraw/zinc/12/54/66/817125466.db2.gz RYJBJUWJLFZHLT-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001047424647 817125470 /nfs/dbraw/zinc/12/54/70/817125470.db2.gz RYJBJUWJLFZHLT-GJZGRUSLSA-N 2 1 305.422 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869647 817466888 /nfs/dbraw/zinc/46/68/88/817466888.db2.gz CGPMHPUJENGPTJ-XQLPTFJDSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869647 817466891 /nfs/dbraw/zinc/46/68/91/817466891.db2.gz CGPMHPUJENGPTJ-XQLPTFJDSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869647 817466896 /nfs/dbraw/zinc/46/68/96/817466896.db2.gz CGPMHPUJENGPTJ-XQLPTFJDSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+]([C@@H](C)C(N)=O)C[C@@H]2C1 ZINC001048869647 817466900 /nfs/dbraw/zinc/46/69/00/817466900.db2.gz CGPMHPUJENGPTJ-XQLPTFJDSA-N 2 1 318.421 -0.652 20 30 DBEDMP C#CC[NH+]1C[C@H]2CN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944323 817487276 /nfs/dbraw/zinc/48/72/76/817487276.db2.gz SUHGGIORNSPHHN-OWQJAQGESA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944323 817487282 /nfs/dbraw/zinc/48/72/82/817487282.db2.gz SUHGGIORNSPHHN-OWQJAQGESA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@H+]1C[C@H]2CN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)C[C@H]2C1 ZINC001048944323 817487287 /nfs/dbraw/zinc/48/72/87/817487287.db2.gz SUHGGIORNSPHHN-OWQJAQGESA-N 2 1 315.417 -0.127 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001054296171 818099513 /nfs/dbraw/zinc/09/95/13/818099513.db2.gz HZRAYNDTZVZULR-MCIONIFRSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001054296171 818099519 /nfs/dbraw/zinc/09/95/19/818099519.db2.gz HZRAYNDTZVZULR-MCIONIFRSA-N 2 1 306.410 -0.462 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096278 820394301 /nfs/dbraw/zinc/39/43/01/820394301.db2.gz RLKPPLSBPSNGSN-MJBXVCDLSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096278 820394311 /nfs/dbraw/zinc/39/43/11/820394311.db2.gz RLKPPLSBPSNGSN-MJBXVCDLSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096278 820394323 /nfs/dbraw/zinc/39/43/23/820394323.db2.gz RLKPPLSBPSNGSN-MJBXVCDLSA-N 2 1 304.398 -0.243 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070096278 820394332 /nfs/dbraw/zinc/39/43/32/820394332.db2.gz RLKPPLSBPSNGSN-MJBXVCDLSA-N 2 1 304.398 -0.243 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)C[C@@H]1n1ccnn1 ZINC001070273905 820439714 /nfs/dbraw/zinc/43/97/14/820439714.db2.gz KFICEJPMQUJYSO-ZNMIVQPWSA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@@H]1n1ccnn1 ZINC001070327917 820446130 /nfs/dbraw/zinc/44/61/30/820446130.db2.gz JBPOJMGLQZZKCE-KGLIPLIRSA-N 2 1 313.365 -0.542 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001073564021 821164401 /nfs/dbraw/zinc/16/44/01/821164401.db2.gz PCYPRJFQHDAIRS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001073564021 821164404 /nfs/dbraw/zinc/16/44/04/821164404.db2.gz PCYPRJFQHDAIRS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564021 821164406 /nfs/dbraw/zinc/16/44/06/821164406.db2.gz PCYPRJFQHDAIRS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001073564021 821164410 /nfs/dbraw/zinc/16/44/10/821164410.db2.gz PCYPRJFQHDAIRS-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001073564024 821164614 /nfs/dbraw/zinc/16/46/14/821164614.db2.gz PCYPRJFQHDAIRS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001073564024 821164621 /nfs/dbraw/zinc/16/46/21/821164621.db2.gz PCYPRJFQHDAIRS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564024 821164627 /nfs/dbraw/zinc/16/46/27/821164627.db2.gz PCYPRJFQHDAIRS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001073564024 821164631 /nfs/dbraw/zinc/16/46/31/821164631.db2.gz PCYPRJFQHDAIRS-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2O)CC1 ZINC001078227089 823746897 /nfs/dbraw/zinc/74/68/97/823746897.db2.gz ILVGVVWFQBPHNS-NUEKZKHPSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@H]2O)CC1 ZINC001078227138 823747427 /nfs/dbraw/zinc/74/74/27/823747427.db2.gz KUQISFHHIMVALK-HUUCEWRRSA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC3CC3)C[C@H]2O)CC1 ZINC001078228064 823747594 /nfs/dbraw/zinc/74/75/94/823747594.db2.gz BDVAHSHAFHTKQJ-HZPDHXFCSA-N 2 1 305.422 -0.097 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654957 824714249 /nfs/dbraw/zinc/71/42/49/824714249.db2.gz NZWXTZNYPKMZGR-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654957 824714254 /nfs/dbraw/zinc/71/42/54/824714254.db2.gz NZWXTZNYPKMZGR-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654957 824714262 /nfs/dbraw/zinc/71/42/62/824714262.db2.gz NZWXTZNYPKMZGR-CLPSQLOGSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=CCC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851139 824792542 /nfs/dbraw/zinc/79/25/42/824792542.db2.gz OSJRFNNZBJXKMO-CABCVRRESA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114439003 828694837 /nfs/dbraw/zinc/69/48/37/828694837.db2.gz INEBREYXSGNORW-XNISGKROSA-N 2 1 320.437 -0.632 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001114439003 828694840 /nfs/dbraw/zinc/69/48/40/828694840.db2.gz INEBREYXSGNORW-XNISGKROSA-N 2 1 320.437 -0.632 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001114466720 828698299 /nfs/dbraw/zinc/69/82/99/828698299.db2.gz RVNSZROCLMOBNM-KNCOVGOOSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001114466720 828698302 /nfs/dbraw/zinc/69/83/02/828698302.db2.gz RVNSZROCLMOBNM-KNCOVGOOSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114466720 828698305 /nfs/dbraw/zinc/69/83/05/828698305.db2.gz RVNSZROCLMOBNM-KNCOVGOOSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCC[NH+]1C ZINC001114466720 828698306 /nfs/dbraw/zinc/69/83/06/828698306.db2.gz RVNSZROCLMOBNM-KNCOVGOOSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@H+]1C ZINC001114466719 828698482 /nfs/dbraw/zinc/69/84/82/828698482.db2.gz RVNSZROCLMOBNM-CTASWTNQSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001114466719 828698484 /nfs/dbraw/zinc/69/84/84/828698484.db2.gz RVNSZROCLMOBNM-CTASWTNQSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114466719 828698487 /nfs/dbraw/zinc/69/84/87/828698487.db2.gz RVNSZROCLMOBNM-CTASWTNQSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCC[NH+]1C ZINC001114466719 828698490 /nfs/dbraw/zinc/69/84/90/828698490.db2.gz RVNSZROCLMOBNM-CTASWTNQSA-N 2 1 318.421 -0.734 20 30 DBEDMP CN1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001114467303 828699209 /nfs/dbraw/zinc/69/92/09/828699209.db2.gz WKLHPILZPMFKQO-COMQUAJESA-N 2 1 319.409 -0.843 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@H](C)COC)C[C@@H]2O)CC1 ZINC001084088103 824886850 /nfs/dbraw/zinc/88/68/50/824886850.db2.gz PWPKHZUHBGKOMS-BMFZPTHFSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750547 828736201 /nfs/dbraw/zinc/73/62/01/828736201.db2.gz JVNULFCSVZQFPM-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCC[NH+](C)C ZINC001114750547 828736208 /nfs/dbraw/zinc/73/62/08/828736208.db2.gz JVNULFCSVZQFPM-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114743618 828735015 /nfs/dbraw/zinc/73/50/15/828735015.db2.gz MVDSPBDRQVBASK-IMRBUKKESA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+](C)CC1(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001114743618 828735020 /nfs/dbraw/zinc/73/50/20/828735020.db2.gz MVDSPBDRQVBASK-IMRBUKKESA-N 2 1 319.409 -0.986 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114780400 828742124 /nfs/dbraw/zinc/74/21/24/828742124.db2.gz IHWJECZCRXVBMP-CXTNEJHOSA-N 2 1 306.410 -0.878 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114780181 828742423 /nfs/dbraw/zinc/74/24/23/828742423.db2.gz GGJGRDRENIBWJH-RMRHIDDWSA-N 2 1 308.426 -0.325 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CCC[C@H]1C ZINC001114831630 828749581 /nfs/dbraw/zinc/74/95/81/828749581.db2.gz DPBBJERHQNAZKU-WVZRYYJFSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CCC[C@H]1C ZINC001114831630 828749584 /nfs/dbraw/zinc/74/95/84/828749584.db2.gz DPBBJERHQNAZKU-WVZRYYJFSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114831630 828749585 /nfs/dbraw/zinc/74/95/85/828749585.db2.gz DPBBJERHQNAZKU-WVZRYYJFSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CCC[C@H]1C ZINC001114831630 828749588 /nfs/dbraw/zinc/74/95/88/828749588.db2.gz DPBBJERHQNAZKU-WVZRYYJFSA-N 2 1 318.421 -0.734 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086390179 825248468 /nfs/dbraw/zinc/24/84/68/825248468.db2.gz FVCFPACAVPKXNW-AJNGGQMLSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC001086390179 825248481 /nfs/dbraw/zinc/24/84/81/825248481.db2.gz FVCFPACAVPKXNW-AJNGGQMLSA-N 2 1 318.421 -0.543 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1c1cnn(C)c1 ZINC001087009760 825314071 /nfs/dbraw/zinc/31/40/71/825314071.db2.gz XFUQINQMKLZXGV-CWRNSKLLSA-N 2 1 315.421 -0.111 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001115128406 828790065 /nfs/dbraw/zinc/79/00/65/828790065.db2.gz LFFTYSGVDOZSCT-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001115128406 828790072 /nfs/dbraw/zinc/79/00/72/828790072.db2.gz LFFTYSGVDOZSCT-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115128406 828790078 /nfs/dbraw/zinc/79/00/78/828790078.db2.gz LFFTYSGVDOZSCT-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001115128406 828790082 /nfs/dbraw/zinc/79/00/82/828790082.db2.gz LFFTYSGVDOZSCT-WVZRYYJFSA-N 2 1 320.437 -0.323 20 30 DBEDMP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127989 828790213 /nfs/dbraw/zinc/79/02/13/828790213.db2.gz CPRYMXYXKUSVSA-FOCJUVANSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127989 828790217 /nfs/dbraw/zinc/79/02/17/828790217.db2.gz CPRYMXYXKUSVSA-FOCJUVANSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127989 828790221 /nfs/dbraw/zinc/79/02/21/828790221.db2.gz CPRYMXYXKUSVSA-FOCJUVANSA-N 2 1 319.409 -0.986 20 30 DBEDMP C[NH+]1CC[C@H](CC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001115127989 828790223 /nfs/dbraw/zinc/79/02/23/828790223.db2.gz CPRYMXYXKUSVSA-FOCJUVANSA-N 2 1 319.409 -0.986 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115161907 828795872 /nfs/dbraw/zinc/79/58/72/828795872.db2.gz PBDUFIBMHJOFOU-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161907 828795874 /nfs/dbraw/zinc/79/58/74/828795874.db2.gz PBDUFIBMHJOFOU-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115161907 828795877 /nfs/dbraw/zinc/79/58/77/828795877.db2.gz PBDUFIBMHJOFOU-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242284 828812605 /nfs/dbraw/zinc/81/26/05/828812605.db2.gz YQBDBFLQHMQEPI-RMRHIDDWSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242284 828812614 /nfs/dbraw/zinc/81/26/14/828812614.db2.gz YQBDBFLQHMQEPI-RMRHIDDWSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242284 828812623 /nfs/dbraw/zinc/81/26/23/828812623.db2.gz YQBDBFLQHMQEPI-RMRHIDDWSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242284 828812633 /nfs/dbraw/zinc/81/26/33/828812633.db2.gz YQBDBFLQHMQEPI-RMRHIDDWSA-N 2 1 306.410 -0.713 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCOC)C[C@@H]2O)CC1 ZINC001090832157 825864546 /nfs/dbraw/zinc/86/45/46/825864546.db2.gz YQKPNAQHDUFIGR-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001274299072 833058739 /nfs/dbraw/zinc/05/87/39/833058739.db2.gz SGAACCMTDGXYGT-STQMWFEESA-N 2 1 309.414 -0.597 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)C1 ZINC001274371592 833069334 /nfs/dbraw/zinc/06/93/34/833069334.db2.gz XTGCGXYYQZMZCJ-ZRMMWKCHSA-N 2 1 307.398 -0.770 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872511 826707421 /nfs/dbraw/zinc/70/74/21/826707421.db2.gz VGTNYLNTLABJRR-LSDHHAIUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](O)C1 ZINC001099872511 826707423 /nfs/dbraw/zinc/70/74/23/826707423.db2.gz VGTNYLNTLABJRR-LSDHHAIUSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973332 826751797 /nfs/dbraw/zinc/75/17/97/826751797.db2.gz BEKZGTPMCGEYCH-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099973332 826751802 /nfs/dbraw/zinc/75/18/02/826751802.db2.gz BEKZGTPMCGEYCH-LSDHHAIUSA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971978 826752225 /nfs/dbraw/zinc/75/22/25/826752225.db2.gz PBMGNSMPUNWUFX-LSDHHAIUSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099971978 826752228 /nfs/dbraw/zinc/75/22/28/826752228.db2.gz PBMGNSMPUNWUFX-LSDHHAIUSA-N 2 1 323.437 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074422 826826295 /nfs/dbraw/zinc/82/62/95/826826295.db2.gz NHAYENJLWRTISJ-LSDHHAIUSA-N 2 1 321.421 -0.717 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](O)C1 ZINC001100074422 826826305 /nfs/dbraw/zinc/82/63/05/826826305.db2.gz NHAYENJLWRTISJ-LSDHHAIUSA-N 2 1 321.421 -0.717 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001100212272 826911917 /nfs/dbraw/zinc/91/19/17/826911917.db2.gz VUPUSYQKONCIRV-YMAMQOFZSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001100212272 826911919 /nfs/dbraw/zinc/91/19/19/826911919.db2.gz VUPUSYQKONCIRV-YMAMQOFZSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100415248 826961010 /nfs/dbraw/zinc/96/10/10/826961010.db2.gz GWYQBFSJHYOHLR-NRXISQOPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)N(C)C)C1 ZINC001100415248 826961017 /nfs/dbraw/zinc/96/10/17/826961017.db2.gz GWYQBFSJHYOHLR-NRXISQOPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001100873114 827040864 /nfs/dbraw/zinc/04/08/64/827040864.db2.gz VCAHJNYNNIXEND-IYXRBSQSSA-N 2 1 321.425 -0.548 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CCC)C1 ZINC001100898401 827041535 /nfs/dbraw/zinc/04/15/35/827041535.db2.gz DBUKHRGTAXJNFO-UHFFFAOYSA-N 2 1 322.453 -0.048 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100896894 827041748 /nfs/dbraw/zinc/04/17/48/827041748.db2.gz QPJUDQMFSUAZLE-UHFFFAOYSA-N 2 1 323.441 -0.158 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)C1 ZINC001101006727 827062726 /nfs/dbraw/zinc/06/27/26/827062726.db2.gz WNVWTILPPIDGAB-UYSNPLJNSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC#CCOC)C2)C1 ZINC001101006727 827062737 /nfs/dbraw/zinc/06/27/37/827062737.db2.gz WNVWTILPPIDGAB-UYSNPLJNSA-N 2 1 323.437 -0.159 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001101039469 827065673 /nfs/dbraw/zinc/06/56/73/827065673.db2.gz NFCLHGJLDWNNQH-UHFFFAOYSA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H]1CCN(C)C1=O ZINC001275185605 833156134 /nfs/dbraw/zinc/15/61/34/833156134.db2.gz YRTCKIUGTPDWKZ-IHRRRGAJSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NC1CC1 ZINC001275185175 833156408 /nfs/dbraw/zinc/15/64/08/833156408.db2.gz PSZPAHJJIOZXCR-GUTXKFCHSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@@H]1CCN(C)C1=O ZINC001275185606 833156669 /nfs/dbraw/zinc/15/66/69/833156669.db2.gz YRTCKIUGTPDWKZ-MJBXVCDLSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102088108 827184212 /nfs/dbraw/zinc/18/42/12/827184212.db2.gz MQPNNYSYVYNTMX-RBSFLKMASA-N 2 1 322.453 -0.240 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)CC[NH+](C)C ZINC001102314420 827197953 /nfs/dbraw/zinc/19/79/53/827197953.db2.gz HCOUDUJGPKAUNT-CHWSQXEVSA-N 2 1 309.414 -0.738 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)[C@H](C)C1 ZINC001102378072 827200868 /nfs/dbraw/zinc/20/08/68/827200868.db2.gz MQPNNYSYVYNTMX-KFWWJZLASA-N 2 1 322.453 -0.240 20 30 DBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105191776 827402179 /nfs/dbraw/zinc/40/21/79/827402179.db2.gz FCJPATURYJYMAM-HNNXBMFYSA-N 2 1 316.409 -0.132 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC(=O)N(C)C)CC1 ZINC001275727870 833204898 /nfs/dbraw/zinc/20/48/98/833204898.db2.gz ADPKPAUJDNYPMW-AWEZNQCLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+](C)CC(=O)N(C)C)CC1 ZINC001275727870 833204904 /nfs/dbraw/zinc/20/49/04/833204904.db2.gz ADPKPAUJDNYPMW-AWEZNQCLSA-N 2 1 322.453 -0.144 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001275977243 833227843 /nfs/dbraw/zinc/22/78/43/833227843.db2.gz OTMJQGBIDPGGCG-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001275977243 833227848 /nfs/dbraw/zinc/22/78/48/833227848.db2.gz OTMJQGBIDPGGCG-ZDUSSCGKSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001165545852 833251814 /nfs/dbraw/zinc/25/18/14/833251814.db2.gz RVPOQSCNEOTDCX-KBPBESRZSA-N 2 1 320.437 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001165545852 833251819 /nfs/dbraw/zinc/25/18/19/833251819.db2.gz RVPOQSCNEOTDCX-KBPBESRZSA-N 2 1 320.437 -0.166 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC(C)(C)C1 ZINC001166736544 833279907 /nfs/dbraw/zinc/27/99/07/833279907.db2.gz NMHDIFNTTNEFOL-AWEZNQCLSA-N 2 1 322.453 -0.048 20 30 DBEDMP N#Cc1c2c(cnc1N1CC[NH2+][C@H](C(N)=O)C1)C[NH2+]CCC2 ZINC001166724661 833279459 /nfs/dbraw/zinc/27/94/59/833279459.db2.gz WIRZFPUEIUCFER-ZDUSSCGKSA-N 2 1 300.366 -0.747 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)CCC[NH+](C)C)CC2=O)C1 ZINC001108566151 828015350 /nfs/dbraw/zinc/01/53/50/828015350.db2.gz FJJNGOWPPDKWML-AWEZNQCLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@@H+](C)CC)CC2=O)C1 ZINC001108584833 828023337 /nfs/dbraw/zinc/02/33/37/828023337.db2.gz MMIMRYHQTJLRQM-AWEZNQCLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[N@H+](C)CC)CC2=O)C1 ZINC001108584833 828023346 /nfs/dbraw/zinc/02/33/46/828023346.db2.gz MMIMRYHQTJLRQM-AWEZNQCLSA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977435 828145468 /nfs/dbraw/zinc/14/54/68/828145468.db2.gz IYVJIUGIEWSNGV-PMPSAXMXSA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)COCC[NH+](C)C)C2 ZINC001109977435 828145475 /nfs/dbraw/zinc/14/54/75/828145475.db2.gz IYVJIUGIEWSNGV-PMPSAXMXSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980108 828209619 /nfs/dbraw/zinc/20/96/19/828209619.db2.gz QGLKYGPQLIQHCM-YJNKXOJESA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)CC[NH+](C)C)C2 ZINC001110980108 828209622 /nfs/dbraw/zinc/20/96/22/828209622.db2.gz QGLKYGPQLIQHCM-YJNKXOJESA-N 2 1 320.437 -0.203 20 30 DBEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167626700 833305809 /nfs/dbraw/zinc/30/58/09/833305809.db2.gz FUARAIGKSKKBTK-CQSZACIVSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168030386 833316064 /nfs/dbraw/zinc/31/60/64/833316064.db2.gz NVHZCMTVHCTIBJ-HUUCEWRRSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001171226670 833368079 /nfs/dbraw/zinc/36/80/79/833368079.db2.gz JCHDTTJAONNQQP-UONOGXRCSA-N 2 1 308.426 -0.438 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001176057056 833399371 /nfs/dbraw/zinc/39/93/71/833399371.db2.gz MLZDNGBJGBTTPI-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001176072590 833400075 /nfs/dbraw/zinc/40/00/75/833400075.db2.gz ZMRZCVRPEKVNQS-AWEZNQCLSA-N 2 1 323.441 -0.204 20 30 DBEDMP C[C@H](CCCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001176563946 833409115 /nfs/dbraw/zinc/40/91/15/833409115.db2.gz IJOVFDRBBSTLLT-ZIAGYGMSSA-N 2 1 323.441 -0.158 20 30 DBEDMP C=CCN(CC=C)C(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001124867395 829796876 /nfs/dbraw/zinc/79/68/76/829796876.db2.gz VHSRAYFJXYFXLC-CQSZACIVSA-N 2 1 308.426 -0.013 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255678 829995649 /nfs/dbraw/zinc/99/56/49/829995649.db2.gz KQTISTTVGNIDRL-KGLIPLIRSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127255677 829996408 /nfs/dbraw/zinc/99/64/08/829996408.db2.gz KQTISTTVGNIDRL-KBPBESRZSA-N 2 1 308.426 -0.131 20 30 DBEDMP CC(C)C[N@H+]1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001129340599 830173172 /nfs/dbraw/zinc/17/31/72/830173172.db2.gz NNNZVEUATGOJMC-ZDUSSCGKSA-N 2 1 309.414 -0.690 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001129417806 830179988 /nfs/dbraw/zinc/17/99/88/830179988.db2.gz PGLYCVKEXJYMHA-LLVKDONJSA-N 2 1 304.354 -0.894 20 30 DBEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001129685161 830201588 /nfs/dbraw/zinc/20/15/88/830201588.db2.gz OKINKKAQMBYZNM-ILXRZTDVSA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001129770357 830207774 /nfs/dbraw/zinc/20/77/74/830207774.db2.gz DTLIDZFJDBSDNR-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@H](C)C(C)C ZINC001129770357 830207778 /nfs/dbraw/zinc/20/77/78/830207778.db2.gz DTLIDZFJDBSDNR-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001129770114 830208607 /nfs/dbraw/zinc/20/86/07/830208607.db2.gz BAHNMUZFICZXAS-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N(CC)CC ZINC001129770114 830208612 /nfs/dbraw/zinc/20/86/12/830208612.db2.gz BAHNMUZFICZXAS-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001129790902 830211283 /nfs/dbraw/zinc/21/12/83/830211283.db2.gz NEFQNVJGJYABPD-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N[C@@H](C)C1CC1 ZINC001129790902 830211292 /nfs/dbraw/zinc/21/12/92/830211292.db2.gz NEFQNVJGJYABPD-ZFWWWQNUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1n1ccnn1 ZINC001130107743 830263961 /nfs/dbraw/zinc/26/39/61/830263961.db2.gz YZOMPVRRIZHFOY-KGLIPLIRSA-N 2 1 304.398 -0.405 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137117 830269632 /nfs/dbraw/zinc/26/96/32/830269632.db2.gz JVUIOMSYICMHFQ-CABCVRRESA-N 2 1 318.425 -0.017 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001130710816 830367650 /nfs/dbraw/zinc/36/76/50/830367650.db2.gz FXKCJYOMIBFIEZ-CQSZACIVSA-N 2 1 308.426 -0.438 20 30 DBEDMP C[N@@H+](CCC(=O)NCC[NH2+]CC(=O)NCC#N)C1CCCCC1 ZINC001131815538 830536064 /nfs/dbraw/zinc/53/60/64/830536064.db2.gz IDFJMEGNWYXAKW-UHFFFAOYSA-N 2 1 323.441 -0.013 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC001133866948 830843625 /nfs/dbraw/zinc/84/36/25/830843625.db2.gz QAMIFAVVLNBKID-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP Cc1[nH+]cc2n1CC[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C2 ZINC001133869976 830843816 /nfs/dbraw/zinc/84/38/16/830843816.db2.gz PELIPFOJFMRIGY-LBPRGKRZSA-N 2 1 318.381 -0.901 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)Cn1cc[nH+]c1C(C)C ZINC001134575005 830952790 /nfs/dbraw/zinc/95/27/90/830952790.db2.gz XOLPSRMSXANVES-ZDUSSCGKSA-N 2 1 319.409 -0.150 20 30 DBEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134759339 830974539 /nfs/dbraw/zinc/97/45/39/830974539.db2.gz MNBGVGVCBIWJAT-CYBMUJFWSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001135028892 831001641 /nfs/dbraw/zinc/00/16/41/831001641.db2.gz JWPHJBOBHUEAJL-QWHCGFSZSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001135095654 831010252 /nfs/dbraw/zinc/01/02/52/831010252.db2.gz MYEUARJKBYBGLE-KGLIPLIRSA-N 2 1 306.410 -0.542 20 30 DBEDMP Cc1[nH+]ccn1CCCC(=O)NCC[NH2+]CC(=O)NCC#N ZINC001135307127 831049526 /nfs/dbraw/zinc/04/95/26/831049526.db2.gz PQUFLQHBBHBPIA-UHFFFAOYSA-N 2 1 306.370 -0.683 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146334690 831276437 /nfs/dbraw/zinc/27/64/37/831276437.db2.gz ZOVGXEZLIYDEDP-VXGBXAGGSA-N 2 1 320.397 -0.296 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001146334683 831276939 /nfs/dbraw/zinc/27/69/39/831276939.db2.gz ZOVGXEZLIYDEDP-NEPJUHHUSA-N 2 1 320.397 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@H+]3C)C2)C1 ZINC001147212084 831349769 /nfs/dbraw/zinc/34/97/69/831349769.db2.gz MQMORDBNQPQJDG-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212084 831349778 /nfs/dbraw/zinc/34/97/78/831349778.db2.gz MQMORDBNQPQJDG-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212084 831349780 /nfs/dbraw/zinc/34/97/80/831349780.db2.gz MQMORDBNQPQJDG-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3CCC[NH+]3C)C2)C1 ZINC001147212084 831349789 /nfs/dbraw/zinc/34/97/89/831349789.db2.gz MQMORDBNQPQJDG-CQSZACIVSA-N 2 1 318.421 -0.636 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@H+]3C)C2)C1 ZINC001147212150 831350323 /nfs/dbraw/zinc/35/03/23/831350323.db2.gz OPKUTLPCCCDQSM-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)C1 ZINC001147212150 831350331 /nfs/dbraw/zinc/35/03/31/831350331.db2.gz OPKUTLPCCCDQSM-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212150 831350335 /nfs/dbraw/zinc/35/03/35/831350335.db2.gz OPKUTLPCCCDQSM-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CCC[NH+]3C)C2)C1 ZINC001147212150 831350340 /nfs/dbraw/zinc/35/03/40/831350340.db2.gz OPKUTLPCCCDQSM-AWEZNQCLSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148215649 831438077 /nfs/dbraw/zinc/43/80/77/831438077.db2.gz DYZGNUSSHKNQAD-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP CC[C@@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001148292702 831442581 /nfs/dbraw/zinc/44/25/81/831442581.db2.gz QNMKOIBJQQERJI-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[C@@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001148292702 831442591 /nfs/dbraw/zinc/44/25/91/831442591.db2.gz QNMKOIBJQQERJI-ZDUSSCGKSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462675 831455752 /nfs/dbraw/zinc/45/57/52/831455752.db2.gz LBEPHDQTAFROFC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)C[NH+](CC)CC)C2)C1 ZINC001148462675 831455757 /nfs/dbraw/zinc/45/57/57/831455757.db2.gz LBEPHDQTAFROFC-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1 ZINC001148748856 831472895 /nfs/dbraw/zinc/47/28/95/831472895.db2.gz ZCSCDVVHOGEWOK-CQSZACIVSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)C1 ZINC001148748856 831472897 /nfs/dbraw/zinc/47/28/97/831472897.db2.gz ZCSCDVVHOGEWOK-CQSZACIVSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748856 831472899 /nfs/dbraw/zinc/47/28/99/831472899.db2.gz ZCSCDVVHOGEWOK-CQSZACIVSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001148748856 831472902 /nfs/dbraw/zinc/47/29/02/831472902.db2.gz ZCSCDVVHOGEWOK-CQSZACIVSA-N 2 1 320.437 -0.225 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151756383 831708531 /nfs/dbraw/zinc/70/85/31/831708531.db2.gz LBDVIZHDQHRLIA-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151756383 831708533 /nfs/dbraw/zinc/70/85/33/831708533.db2.gz LBDVIZHDQHRLIA-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001156146004 831972303 /nfs/dbraw/zinc/97/23/03/831972303.db2.gz RSNAXHIRKNRBAD-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001156146004 831972306 /nfs/dbraw/zinc/97/23/06/831972306.db2.gz RSNAXHIRKNRBAD-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374376 831982167 /nfs/dbraw/zinc/98/21/67/831982167.db2.gz PNWSDSGXFAXRJM-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001156374376 831982172 /nfs/dbraw/zinc/98/21/72/831982172.db2.gz PNWSDSGXFAXRJM-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001156374376 831982180 /nfs/dbraw/zinc/98/21/80/831982180.db2.gz PNWSDSGXFAXRJM-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001156374376 831982186 /nfs/dbraw/zinc/98/21/86/831982186.db2.gz PNWSDSGXFAXRJM-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001158039269 832085878 /nfs/dbraw/zinc/08/58/78/832085878.db2.gz RWSTZUOQJPCCNY-GJZGRUSLSA-N 2 1 320.437 -0.294 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC001158487038 832117948 /nfs/dbraw/zinc/11/79/48/832117948.db2.gz VISQRRUPBHHTPO-HUUCEWRRSA-N 2 1 309.410 -0.405 20 30 DBEDMP C[C@H]1CCC[N@H+]1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185659875 833804490 /nfs/dbraw/zinc/80/44/90/833804490.db2.gz RLMKHZRZIAFSMO-QWHCGFSZSA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185659093 833805080 /nfs/dbraw/zinc/80/50/80/833805080.db2.gz DDPNSAWSJJHOIR-UONOGXRCSA-N 2 1 306.410 -0.732 20 30 DBEDMP CCN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC001269339873 832417120 /nfs/dbraw/zinc/41/71/20/832417120.db2.gz TWNYQVMSFYRGAP-ZIAGYGMSSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC(=O)NCC#N)CC1 ZINC001269428657 832432938 /nfs/dbraw/zinc/43/29/38/832432938.db2.gz QKNCNEKFXOXVOZ-CYBMUJFWSA-N 2 1 321.425 -0.261 20 30 DBEDMP CC[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492861 832441748 /nfs/dbraw/zinc/44/17/48/832441748.db2.gz PYEODBYCIFGVHX-CHWSQXEVSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001269544389 832446757 /nfs/dbraw/zinc/44/67/57/832446757.db2.gz DOYGBXUZWLNWBE-AWEZNQCLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001270697389 832567082 /nfs/dbraw/zinc/56/70/82/832567082.db2.gz HHJYZHCWPOVAGW-RHSMWYFYSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CC#CC)C2)CC1 ZINC001271227294 832643321 /nfs/dbraw/zinc/64/33/21/832643321.db2.gz DRRQHKFNLPDYOH-SFHVURJKSA-N 2 1 317.433 -0.092 20 30 DBEDMP CC(C)C[C@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001271311251 832655622 /nfs/dbraw/zinc/65/56/22/832655622.db2.gz LAOVMOKZNVMICI-ZIAGYGMSSA-N 2 1 323.441 -0.302 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001271436222 832667882 /nfs/dbraw/zinc/66/78/82/832667882.db2.gz LHUCYEZVOZLRCH-ZIAGYGMSSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1C ZINC001271458558 832670636 /nfs/dbraw/zinc/67/06/36/832670636.db2.gz NQWQFZXGKTZADS-LSDHHAIUSA-N 2 1 322.453 -0.097 20 30 DBEDMP CC(C)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001271901163 832714246 /nfs/dbraw/zinc/71/42/46/832714246.db2.gz MHXSHHZJYMOPMO-KGLIPLIRSA-N 2 1 323.441 -0.302 20 30 DBEDMP CN(CCN(C)C(=O)C[N@@H+](C)C1CCC1)CC(=O)NCC#N ZINC001272033962 832732594 /nfs/dbraw/zinc/73/25/94/832732594.db2.gz YNPSCARDKTYVSP-UHFFFAOYSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001272838027 832839584 /nfs/dbraw/zinc/83/95/84/832839584.db2.gz PQDGQPXXBYYUEX-GJZGRUSLSA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCn1cncn1 ZINC001272838027 832839589 /nfs/dbraw/zinc/83/95/89/832839589.db2.gz PQDGQPXXBYYUEX-GJZGRUSLSA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001272838026 832839653 /nfs/dbraw/zinc/83/96/53/832839653.db2.gz PQDGQPXXBYYUEX-CABCVRRESA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCn1cncn1 ZINC001272838026 832839661 /nfs/dbraw/zinc/83/96/61/832839661.db2.gz PQDGQPXXBYYUEX-CABCVRRESA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001159923811 832860073 /nfs/dbraw/zinc/86/00/73/832860073.db2.gz IHHQFPBTQICZAI-ZDUSSCGKSA-N 2 1 317.393 -0.394 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001160198126 832884257 /nfs/dbraw/zinc/88/42/57/832884257.db2.gz SUPPGAPDKSTPIV-AWEZNQCLSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cn(C)nn1 ZINC001160198126 832884267 /nfs/dbraw/zinc/88/42/67/832884267.db2.gz SUPPGAPDKSTPIV-AWEZNQCLSA-N 2 1 304.398 -0.491 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001160274431 832890896 /nfs/dbraw/zinc/89/08/96/832890896.db2.gz SFYAIJCESBNWHH-CQSZACIVSA-N 2 1 308.426 -0.294 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NCC1([NH2+]CC(=O)NCC#N)CCC1 ZINC001273202068 832894158 /nfs/dbraw/zinc/89/41/58/832894158.db2.gz PXEJLUFHSHOLBT-UHFFFAOYSA-N 2 1 318.381 -0.540 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001273381484 832920277 /nfs/dbraw/zinc/92/02/77/832920277.db2.gz HHBYSCAGVBRVNX-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP CN(CCC[N@@H+](C)CC(=O)NCC#N)C(=O)C1([NH+](C)C)CCC1 ZINC001273524172 832934265 /nfs/dbraw/zinc/93/42/65/832934265.db2.gz MRWOGYRLMUIFNW-UHFFFAOYSA-N 2 1 323.441 -0.109 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)[C@H](C)C(N)=O)CC1 ZINC001273591051 832941067 /nfs/dbraw/zinc/94/10/67/832941067.db2.gz BZRZPGRUSNVJMS-CQSZACIVSA-N 2 1 322.453 -0.014 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CCC[N@@H+](C)CC(N)=O)CC1 ZINC001273591530 832941449 /nfs/dbraw/zinc/94/14/49/832941449.db2.gz UZILEPSOLPPYIF-UHFFFAOYSA-N 2 1 308.426 -0.403 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001160867969 832955267 /nfs/dbraw/zinc/95/52/67/832955267.db2.gz JCNIBEPRDAZFPW-UONOGXRCSA-N 2 1 321.425 -0.261 20 30 DBEDMP C=C[C@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881704 832979556 /nfs/dbraw/zinc/97/95/56/832979556.db2.gz QBPRCHSYYAFUIU-BBRMVZONSA-N 2 1 309.410 -0.064 20 30 DBEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001273936462 832989379 /nfs/dbraw/zinc/98/93/79/832989379.db2.gz OGNCZVMHJZVREX-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001273936462 832989384 /nfs/dbraw/zinc/98/93/84/832989384.db2.gz OGNCZVMHJZVREX-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001273936460 832989583 /nfs/dbraw/zinc/98/95/83/832989583.db2.gz OGNCZVMHJZVREX-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001273936460 832989585 /nfs/dbraw/zinc/98/95/85/832989585.db2.gz OGNCZVMHJZVREX-GDBMZVCRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001179539134 833549761 /nfs/dbraw/zinc/54/97/61/833549761.db2.gz PNGJMYRXDWRQPR-IHRRRGAJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001179935300 833564770 /nfs/dbraw/zinc/56/47/70/833564770.db2.gz ALGBVTNHJXBXAB-MJBXVCDLSA-N 2 1 321.425 -0.453 20 30 DBEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001180124322 833570024 /nfs/dbraw/zinc/57/00/24/833570024.db2.gz HCTBPCULZDRDTP-AVGNSLFASA-N 2 1 307.398 -0.843 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001183361435 833714308 /nfs/dbraw/zinc/71/43/08/833714308.db2.gz UMVGAILIMCCEMW-KFWWJZLASA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001183361435 833714311 /nfs/dbraw/zinc/71/43/11/833714311.db2.gz UMVGAILIMCCEMW-KFWWJZLASA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183353945 833714535 /nfs/dbraw/zinc/71/45/35/833714535.db2.gz HZJUSEHURKNKEQ-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC#CCOC)C1 ZINC001183353945 833714537 /nfs/dbraw/zinc/71/45/37/833714537.db2.gz HZJUSEHURKNKEQ-CVEARBPZSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001184962492 833776383 /nfs/dbraw/zinc/77/63/83/833776383.db2.gz ZLWIHCZRPBXAEV-ZNMIVQPWSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001277224638 833934196 /nfs/dbraw/zinc/93/41/96/833934196.db2.gz KKZHAEBEIAXXKP-ZIAGYGMSSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001277224635 833934311 /nfs/dbraw/zinc/93/43/11/833934311.db2.gz KKZHAEBEIAXXKP-KBPBESRZSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001277216519 833934609 /nfs/dbraw/zinc/93/46/09/833934609.db2.gz DLYLSMNWSQDPLP-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001277356242 833948528 /nfs/dbraw/zinc/94/85/28/833948528.db2.gz QUVCZSVUGCQKBL-QWHCGFSZSA-N 2 1 309.414 -0.548 20 30 DBEDMP CC[C@H](C(=O)N1CCC([N@@H+](C)CC(=O)NCC#N)CC1)[NH+](C)C ZINC001277440603 833954656 /nfs/dbraw/zinc/95/46/56/833954656.db2.gz CTNBYKFQDLMIOK-CQSZACIVSA-N 2 1 323.441 -0.111 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277883559 834000847 /nfs/dbraw/zinc/00/08/47/834000847.db2.gz KJOWIATXTPEZQO-KBPBESRZSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655138 834177145 /nfs/dbraw/zinc/17/71/45/834177145.db2.gz NTJPKGATZNLLBP-GOEBONIOSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655138 834177149 /nfs/dbraw/zinc/17/71/49/834177149.db2.gz NTJPKGATZNLLBP-GOEBONIOSA-N 2 1 320.437 -0.391 20 30 DBEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190775999 834191006 /nfs/dbraw/zinc/19/10/06/834191006.db2.gz LNUNLTJXHUJVKV-ZFWWWQNUSA-N 2 1 323.441 -0.255 20 30 DBEDMP CC(C)[C@@H](C(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190775999 834191009 /nfs/dbraw/zinc/19/10/09/834191009.db2.gz LNUNLTJXHUJVKV-ZFWWWQNUSA-N 2 1 323.441 -0.255 20 30 DBEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190775994 834191187 /nfs/dbraw/zinc/19/11/87/834191187.db2.gz LNUNLTJXHUJVKV-HIFRSBDPSA-N 2 1 323.441 -0.255 20 30 DBEDMP CC(C)[C@@H](C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1)[NH+](C)C ZINC001190775994 834191191 /nfs/dbraw/zinc/19/11/91/834191191.db2.gz LNUNLTJXHUJVKV-HIFRSBDPSA-N 2 1 323.441 -0.255 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001192153323 834335508 /nfs/dbraw/zinc/33/55/08/834335508.db2.gz OLOUHZOAQGNCBS-UONOGXRCSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCOC[C@@H](O)C[N@H+]1C[C@H]2C[NH2+]CC[C@@]2(C(=O)OCC)C1 ZINC001246048142 834413020 /nfs/dbraw/zinc/41/30/20/834413020.db2.gz VPYCZLASSRJBMW-IJEWVQPXSA-N 2 1 310.394 -0.528 20 30 DBEDMP COC(=O)[C@]12C[C@@H]3C[NH2+]C[C@@H]3[C@H]1C[N@H+]([C@@H]1CCN[C@H](C#N)C1)C2 ZINC001246674409 834447348 /nfs/dbraw/zinc/44/73/48/834447348.db2.gz SEPSTFGXXBDHAN-BMNMPBFRSA-N 2 1 318.421 -0.039 20 30 DBEDMP C[NH+]1CCC(C[NH+]2CCN(S(=O)(=O)CC#N)CC2)CC1 ZINC001192972823 834449116 /nfs/dbraw/zinc/44/91/16/834449116.db2.gz BVIWOHLKKUETBX-UHFFFAOYSA-N 2 1 300.428 -0.201 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+](C)CCC)C1 ZINC001193620791 834516605 /nfs/dbraw/zinc/51/66/05/834516605.db2.gz BAHHZGLHTGPQAW-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+](C)CCC)C1 ZINC001193620791 834516615 /nfs/dbraw/zinc/51/66/15/834516615.db2.gz BAHHZGLHTGPQAW-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193620791 834516624 /nfs/dbraw/zinc/51/66/24/834516624.db2.gz BAHHZGLHTGPQAW-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+](C)CCC)C1 ZINC001193620791 834516632 /nfs/dbraw/zinc/51/66/32/834516632.db2.gz BAHHZGLHTGPQAW-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C=CC[NH+](CC=C)CCN1CC[NH+](C[C@H](O)C(=O)OC)CC1 ZINC001252421271 834535895 /nfs/dbraw/zinc/53/58/95/834535895.db2.gz AOBVQFAHZFFLOW-HNNXBMFYSA-N 2 1 311.426 -0.188 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027236 834559605 /nfs/dbraw/zinc/55/96/05/834559605.db2.gz QCGSMDNHKJJYMB-AWEZNQCLSA-N 2 1 308.426 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194027236 834559613 /nfs/dbraw/zinc/55/96/13/834559613.db2.gz QCGSMDNHKJJYMB-AWEZNQCLSA-N 2 1 308.426 -0.083 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001194041221 834562049 /nfs/dbraw/zinc/56/20/49/834562049.db2.gz VTNAUYBXUFOCAQ-HUUCEWRRSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197319693 834854221 /nfs/dbraw/zinc/85/42/21/834854221.db2.gz PFPILJUVQQNYND-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320321 834855028 /nfs/dbraw/zinc/85/50/28/834855028.db2.gz XQRUXCKALPOSDS-HUUCEWRRSA-N 2 1 309.410 -0.718 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320321 834855039 /nfs/dbraw/zinc/85/50/39/834855039.db2.gz XQRUXCKALPOSDS-HUUCEWRRSA-N 2 1 309.410 -0.718 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001198699111 834961454 /nfs/dbraw/zinc/96/14/54/834961454.db2.gz JDMSXALPGGUFFC-RBSFLKMASA-N 2 1 311.426 -0.308 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001263863872 834993268 /nfs/dbraw/zinc/99/32/68/834993268.db2.gz GWYQBFSJHYOHLR-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001263863872 834993272 /nfs/dbraw/zinc/99/32/72/834993272.db2.gz GWYQBFSJHYOHLR-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157794 835016826 /nfs/dbraw/zinc/01/68/26/835016826.db2.gz SQKCMDQTONUCIR-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H]1C ZINC001264157794 835016839 /nfs/dbraw/zinc/01/68/39/835016839.db2.gz SQKCMDQTONUCIR-KGLIPLIRSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001264440490 835032550 /nfs/dbraw/zinc/03/25/50/835032550.db2.gz DJDPIAONUBWHPA-RBSFLKMASA-N 2 1 322.453 -0.051 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001264439369 835032628 /nfs/dbraw/zinc/03/26/28/835032628.db2.gz PFVSKBZPRSBHGQ-JHJVBQTASA-N 2 1 307.398 -0.938 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001264455179 835032734 /nfs/dbraw/zinc/03/27/34/835032734.db2.gz ZCPMLENWRQQJCB-MJBXVCDLSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787725 835056187 /nfs/dbraw/zinc/05/61/87/835056187.db2.gz CUUTUENHFKGQLP-UKRRQHHQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001199787723 835057177 /nfs/dbraw/zinc/05/71/77/835057177.db2.gz CUUTUENHFKGQLP-DZGCQCFKSA-N 2 1 320.437 -0.201 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001265360378 835134181 /nfs/dbraw/zinc/13/41/81/835134181.db2.gz KSPUBNPWZOYKRK-KGLIPLIRSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001265482990 835146434 /nfs/dbraw/zinc/14/64/34/835146434.db2.gz FSKPHVBZFLMLHN-TUVASFSCSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001265482990 835146439 /nfs/dbraw/zinc/14/64/39/835146439.db2.gz FSKPHVBZFLMLHN-TUVASFSCSA-N 2 1 320.437 -0.203 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001265507912 835148614 /nfs/dbraw/zinc/14/86/14/835148614.db2.gz ZNDHCZRJMMUTNE-HAQNSBGRSA-N 2 1 304.354 -0.932 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)CCCO1 ZINC001200722475 835148894 /nfs/dbraw/zinc/14/88/94/835148894.db2.gz XWFYIHLXRRQQLA-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2CC#C)CCCO1 ZINC001200722475 835148902 /nfs/dbraw/zinc/14/89/02/835148902.db2.gz XWFYIHLXRRQQLA-HOTGVXAUSA-N 2 1 303.406 -0.076 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C(C)C)CCO2)CCCO1 ZINC001201245238 835177587 /nfs/dbraw/zinc/17/75/87/835177587.db2.gz DXINPAOSGRYTLM-CVEARBPZSA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CCCO1 ZINC001201245238 835177594 /nfs/dbraw/zinc/17/75/94/835177594.db2.gz DXINPAOSGRYTLM-CVEARBPZSA-N 2 1 323.437 -0.064 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001201321757 835183441 /nfs/dbraw/zinc/18/34/41/835183441.db2.gz VLBDVQMUHGQWDF-UHFFFAOYSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001265882652 835191623 /nfs/dbraw/zinc/19/16/23/835191623.db2.gz YSDWHMASBFCDAX-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001265930965 835200604 /nfs/dbraw/zinc/20/06/04/835200604.db2.gz QOWFZQWOBOVZDL-OLZOCXBDSA-N 2 1 307.398 -0.842 20 30 DBEDMP CC#CC[NH2+]C[C@H]1CN(C(=O)CC[NH+]2CCOCC2)CCCO1 ZINC001201639140 835200549 /nfs/dbraw/zinc/20/05/49/835200549.db2.gz HDUXULQBLRNEPP-INIZCTEOSA-N 2 1 323.437 -0.061 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266037465 835219787 /nfs/dbraw/zinc/21/97/87/835219787.db2.gz SDRMLNTZJKEEIW-KGLIPLIRSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266037466 835220251 /nfs/dbraw/zinc/22/02/51/835220251.db2.gz SDRMLNTZJKEEIW-UONOGXRCSA-N 2 1 308.426 -0.322 20 30 DBEDMP COCC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058606 835230352 /nfs/dbraw/zinc/23/03/52/835230352.db2.gz LLVWEOYNLTUQTJ-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266191882 835245634 /nfs/dbraw/zinc/24/56/34/835245634.db2.gz MAJJAJDXJKOJCQ-KGLIPLIRSA-N 2 1 323.441 -0.015 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001266349889 835288362 /nfs/dbraw/zinc/28/83/62/835288362.db2.gz BQIIYQMCFSZOGO-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)C1=O ZINC001266349889 835288372 /nfs/dbraw/zinc/28/83/72/835288372.db2.gz BQIIYQMCFSZOGO-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266352617 835289079 /nfs/dbraw/zinc/28/90/79/835289079.db2.gz FCRDTMLJFGVZGA-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266352617 835289084 /nfs/dbraw/zinc/28/90/84/835289084.db2.gz FCRDTMLJFGVZGA-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352617 835289089 /nfs/dbraw/zinc/28/90/89/835289089.db2.gz FCRDTMLJFGVZGA-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352617 835289094 /nfs/dbraw/zinc/28/90/94/835289094.db2.gz FCRDTMLJFGVZGA-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266352615 835289858 /nfs/dbraw/zinc/28/98/58/835289858.db2.gz FCRDTMLJFGVZGA-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266352615 835289867 /nfs/dbraw/zinc/28/98/67/835289867.db2.gz FCRDTMLJFGVZGA-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352615 835289874 /nfs/dbraw/zinc/28/98/74/835289874.db2.gz FCRDTMLJFGVZGA-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352615 835289884 /nfs/dbraw/zinc/28/98/84/835289884.db2.gz FCRDTMLJFGVZGA-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001203337280 835293638 /nfs/dbraw/zinc/29/36/38/835293638.db2.gz GGDKDVUZMVEFSO-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001203437418 835296213 /nfs/dbraw/zinc/29/62/13/835296213.db2.gz LCVNBHGSJDLUPC-UHFFFAOYSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699356 835305319 /nfs/dbraw/zinc/30/53/19/835305319.db2.gz IQHAHSMDJBSETM-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001203699357 835306043 /nfs/dbraw/zinc/30/60/43/835306043.db2.gz IQHAHSMDJBSETM-ZIAGYGMSSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437890 835307905 /nfs/dbraw/zinc/30/79/05/835307905.db2.gz PJVPQMKNFVEPLB-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001266437890 835307915 /nfs/dbraw/zinc/30/79/15/835307915.db2.gz PJVPQMKNFVEPLB-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001266437890 835307924 /nfs/dbraw/zinc/30/79/24/835307924.db2.gz PJVPQMKNFVEPLB-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001266437890 835307931 /nfs/dbraw/zinc/30/79/31/835307931.db2.gz PJVPQMKNFVEPLB-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520678 835326926 /nfs/dbraw/zinc/32/69/26/835326926.db2.gz RATAENSFACXQGW-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001266520677 835327055 /nfs/dbraw/zinc/32/70/55/835327055.db2.gz RATAENSFACXQGW-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001266549361 835335025 /nfs/dbraw/zinc/33/50/25/835335025.db2.gz UFJQNEXIXVVVCJ-KGLIPLIRSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266549361 835335027 /nfs/dbraw/zinc/33/50/27/835335027.db2.gz UFJQNEXIXVVVCJ-KGLIPLIRSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001266549361 835335029 /nfs/dbraw/zinc/33/50/29/835335029.db2.gz UFJQNEXIXVVVCJ-KGLIPLIRSA-N 2 1 308.426 -0.322 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001266565833 835338436 /nfs/dbraw/zinc/33/84/36/835338436.db2.gz QNFDTCJGOCKQDP-LBPRGKRZSA-N 2 1 304.354 -0.978 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001266689992 835361341 /nfs/dbraw/zinc/36/13/41/835361341.db2.gz CXTPEPHKJONKLK-ZNMIVQPWSA-N 2 1 316.405 -0.930 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001266689992 835361345 /nfs/dbraw/zinc/36/13/45/835361345.db2.gz CXTPEPHKJONKLK-ZNMIVQPWSA-N 2 1 316.405 -0.930 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266725795 835369636 /nfs/dbraw/zinc/36/96/36/835369636.db2.gz UVHMWEZOORKAJL-MCIONIFRSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001266815178 835389793 /nfs/dbraw/zinc/38/97/93/835389793.db2.gz KZOOSXQHJDZABC-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001266993825 835423621 /nfs/dbraw/zinc/42/36/21/835423621.db2.gz GDLIMPABHQHEIM-CHWSQXEVSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001267564410 835530894 /nfs/dbraw/zinc/53/08/94/835530894.db2.gz AFACGZUQADDHQH-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)COC)C1 ZINC001267683616 835562622 /nfs/dbraw/zinc/56/26/22/835562622.db2.gz RUEQEPLWDZCOBW-GJZGRUSLSA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)COC)C1 ZINC001267683616 835562624 /nfs/dbraw/zinc/56/26/24/835562624.db2.gz RUEQEPLWDZCOBW-GJZGRUSLSA-N 2 1 309.410 -0.861 20 30 DBEDMP CC[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]CC(=O)NCC#N ZINC001267831970 835604858 /nfs/dbraw/zinc/60/48/58/835604858.db2.gz VXLCZGCKXFPAPQ-ZIAGYGMSSA-N 2 1 323.441 -0.015 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001267960962 835613664 /nfs/dbraw/zinc/61/36/64/835613664.db2.gz UAXNWICGGGMIPI-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001267987322 835616509 /nfs/dbraw/zinc/61/65/09/835616509.db2.gz UCKVWMXINABHMS-BFHYXJOUSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001267995084 835617429 /nfs/dbraw/zinc/61/74/29/835617429.db2.gz BTHXRTLWSODDFL-OCCSQVGLSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001268233409 835642141 /nfs/dbraw/zinc/64/21/41/835642141.db2.gz SBGZEDOMDFOFRI-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[NH+]1C ZINC001268233409 835642143 /nfs/dbraw/zinc/64/21/43/835642143.db2.gz SBGZEDOMDFOFRI-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001268233409 835642145 /nfs/dbraw/zinc/64/21/45/835642145.db2.gz SBGZEDOMDFOFRI-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCN(C)C(=O)[C@@H]1CCC[N@H+]1C ZINC001268233409 835642148 /nfs/dbraw/zinc/64/21/48/835642148.db2.gz SBGZEDOMDFOFRI-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001268500704 835710319 /nfs/dbraw/zinc/71/03/19/835710319.db2.gz JMSSHKHSKWKHMA-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCN(CC[NH2+]CC#CCOC)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001268500704 835710325 /nfs/dbraw/zinc/71/03/25/835710325.db2.gz JMSSHKHSKWKHMA-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001268651320 835765636 /nfs/dbraw/zinc/76/56/36/835765636.db2.gz APDRQBHTTODWPY-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750449 835797491 /nfs/dbraw/zinc/79/74/91/835797491.db2.gz AKSDZOKBVJUKSN-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750449 835797495 /nfs/dbraw/zinc/79/74/95/835797495.db2.gz AKSDZOKBVJUKSN-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268750449 835797501 /nfs/dbraw/zinc/79/75/01/835797501.db2.gz AKSDZOKBVJUKSN-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268750449 835797506 /nfs/dbraw/zinc/79/75/06/835797506.db2.gz AKSDZOKBVJUKSN-UONOGXRCSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750605 835799059 /nfs/dbraw/zinc/79/90/59/835799059.db2.gz BOGVISDAKPDTFC-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[NH+](C)C1 ZINC001268750605 835799065 /nfs/dbraw/zinc/79/90/65/835799065.db2.gz BOGVISDAKPDTFC-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001268750605 835799071 /nfs/dbraw/zinc/79/90/71/835799071.db2.gz BOGVISDAKPDTFC-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001268750605 835799076 /nfs/dbraw/zinc/79/90/76/835799076.db2.gz BOGVISDAKPDTFC-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750606 835799264 /nfs/dbraw/zinc/79/92/64/835799264.db2.gz BOGVISDAKPDTFC-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001268750606 835799275 /nfs/dbraw/zinc/79/92/75/835799275.db2.gz BOGVISDAKPDTFC-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001268750606 835799285 /nfs/dbraw/zinc/79/92/85/835799285.db2.gz BOGVISDAKPDTFC-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](C[NH+](C)CC(=O)NCC#N)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001268750606 835799299 /nfs/dbraw/zinc/79/92/99/835799299.db2.gz BOGVISDAKPDTFC-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349041 1013151922 /nfs/dbraw/zinc/15/19/22/1013151922.db2.gz CMOMXLPGUSVGIQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349041 1013151937 /nfs/dbraw/zinc/15/19/37/1013151937.db2.gz CMOMXLPGUSVGIQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485349041 1013151946 /nfs/dbraw/zinc/15/19/46/1013151946.db2.gz CMOMXLPGUSVGIQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485349041 1013151951 /nfs/dbraw/zinc/15/19/51/1013151951.db2.gz CMOMXLPGUSVGIQ-QWHCGFSZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](O)COC ZINC001485885435 1013412214 /nfs/dbraw/zinc/41/22/14/1013412214.db2.gz HZAPLUCPOHJDEL-KFWWJZLASA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C[C@@H](O)COC ZINC001485885435 1013412203 /nfs/dbraw/zinc/41/22/03/1013412203.db2.gz HZAPLUCPOHJDEL-KFWWJZLASA-N 2 1 311.426 -0.472 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001486093325 1013670920 /nfs/dbraw/zinc/67/09/20/1013670920.db2.gz LJCPQDKSADYJNB-QWHCGFSZSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)CC)[C@@H]1C ZINC001486092237 1013672466 /nfs/dbraw/zinc/67/24/66/1013672466.db2.gz CGTXUHVXOGAGCQ-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCN1CC[NH+]([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)CC1 ZINC001052109265 977651722 /nfs/dbraw/zinc/65/17/22/977651722.db2.gz ZSRVXGISBQSISM-MRXNPFEDSA-N 2 1 316.449 -0.066 20 30 DBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)CC1 ZINC001052117656 977657028 /nfs/dbraw/zinc/65/70/28/977657028.db2.gz WKJRDZKFFPIQOP-HOTGVXAUSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CCN1CC[NH+]([C@H]2CCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001052117656 977657036 /nfs/dbraw/zinc/65/70/36/977657036.db2.gz WKJRDZKFFPIQOP-HOTGVXAUSA-N 2 1 304.438 -0.210 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001207689019 978235919 /nfs/dbraw/zinc/23/59/19/978235919.db2.gz VGYBQECVDHLUJQ-QWHCGFSZSA-N 2 1 307.398 -0.699 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N[C@@H]1CN(CC(=O)NCC#N)C[C@H]1C ZINC001207757600 978253103 /nfs/dbraw/zinc/25/31/03/978253103.db2.gz HFKQQYNUZBYMHL-CHWSQXEVSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425777 978362043 /nfs/dbraw/zinc/36/20/43/978362043.db2.gz XUOVOUNNBVEPMI-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001208425777 978362054 /nfs/dbraw/zinc/36/20/54/978362054.db2.gz XUOVOUNNBVEPMI-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001208410703 978364761 /nfs/dbraw/zinc/36/47/61/978364761.db2.gz CNPJQECCYNDLRG-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001208410703 978364773 /nfs/dbraw/zinc/36/47/73/978364773.db2.gz CNPJQECCYNDLRG-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643634 978468375 /nfs/dbraw/zinc/46/83/75/978468375.db2.gz UOYRONZIMPSNPR-UONOGXRCSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210528935 978517889 /nfs/dbraw/zinc/51/78/89/978517889.db2.gz NPPRTCNRJMQFDG-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210528935 978517896 /nfs/dbraw/zinc/51/78/96/978517896.db2.gz NPPRTCNRJMQFDG-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210528935 978517900 /nfs/dbraw/zinc/51/79/00/978517900.db2.gz NPPRTCNRJMQFDG-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210528935 978517908 /nfs/dbraw/zinc/51/79/08/978517908.db2.gz NPPRTCNRJMQFDG-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)C[C@H]1C ZINC001214861054 978754484 /nfs/dbraw/zinc/75/44/84/978754484.db2.gz GTNXFBBBCXRRSM-UKRRQHHQSA-N 2 1 320.437 -0.343 20 30 DBEDMP C[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214969363 978757405 /nfs/dbraw/zinc/75/74/05/978757405.db2.gz PGCLILCMGLZKCK-MGPQQGTHSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)CC)C[C@H]1C ZINC001214996795 978758519 /nfs/dbraw/zinc/75/85/19/978758519.db2.gz CYWURYKFIVWPSL-ZIAGYGMSSA-N 2 1 322.453 -0.097 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001216755974 978793533 /nfs/dbraw/zinc/79/35/33/978793533.db2.gz MOSJQKFGEHZHID-TZMCWYRMSA-N 2 1 319.409 -0.070 20 30 DBEDMP COCC#CCN1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813929 979025173 /nfs/dbraw/zinc/02/51/73/979025173.db2.gz LJFPPJWRAMODTF-CABCVRRESA-N 2 1 309.410 -0.718 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944392 979048369 /nfs/dbraw/zinc/04/83/69/979048369.db2.gz YSFGVKPCHLUUTQ-CABCVRRESA-N 2 1 323.437 -0.021 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](O)C1 ZINC001219944392 979048375 /nfs/dbraw/zinc/04/83/75/979048375.db2.gz YSFGVKPCHLUUTQ-CABCVRRESA-N 2 1 323.437 -0.021 20 30 DBEDMP CC#CC[N@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388078 979185594 /nfs/dbraw/zinc/18/55/94/979185594.db2.gz ZNAZSBKXUWEHPT-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP CC#CC[N@@H+]1C[C@@H](NC(=O)COC[C@@H](C)[NH+]2CCCC2)[C@@H](O)C1 ZINC001220388078 979185599 /nfs/dbraw/zinc/18/55/99/979185599.db2.gz ZNAZSBKXUWEHPT-OAGGEKHMSA-N 2 1 323.437 -0.328 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001488827946 1014589222 /nfs/dbraw/zinc/58/92/22/1014589222.db2.gz HWHCBRNJQWFHMI-KBUPBQIOSA-N 2 1 320.437 -0.440 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001325111791 979701237 /nfs/dbraw/zinc/70/12/37/979701237.db2.gz WDVGTHBUDQLNNK-CJNGLKHVSA-N 2 1 302.378 -0.368 20 30 DBEDMP C#CCN1CC[C@](O)(CNC(=O)[C@@H]2CCn3cncc3C2)C1 ZINC001325111791 979701248 /nfs/dbraw/zinc/70/12/48/979701248.db2.gz WDVGTHBUDQLNNK-CJNGLKHVSA-N 2 1 302.378 -0.368 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC001327181585 979795911 /nfs/dbraw/zinc/79/59/11/979795911.db2.gz SMMHXCRCDGLNOY-GJZGRUSLSA-N 2 1 323.441 -0.470 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001488879261 1014626635 /nfs/dbraw/zinc/62/66/35/1014626635.db2.gz YEDBDCRVAZJMRZ-IHRRRGAJSA-N 2 1 308.426 -0.275 20 30 DBEDMP N#CC[C@]1(O)CC[N@@H+](CCOCC[NH+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780991 980087278 /nfs/dbraw/zinc/08/72/78/980087278.db2.gz LADDCVUGJNNZAE-IYBDPMFKSA-N 2 1 322.409 -0.296 20 30 DBEDMP N#CC[C@]1(O)CC[NH+](CCOCC[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780991 980087287 /nfs/dbraw/zinc/08/72/87/980087287.db2.gz LADDCVUGJNNZAE-IYBDPMFKSA-N 2 1 322.409 -0.296 20 30 DBEDMP N#CC[C@]1(O)CC[NH+](CCOCC[N@H+]2CC[C@](O)(CC#N)C2)C1 ZINC001345780991 980087297 /nfs/dbraw/zinc/08/72/97/980087297.db2.gz LADDCVUGJNNZAE-IYBDPMFKSA-N 2 1 322.409 -0.296 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1OCC ZINC001489018863 1014663255 /nfs/dbraw/zinc/66/32/55/1014663255.db2.gz ZALKJKQSFJTGJP-HZPDHXFCSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CC[NH+](C)C ZINC001350226432 980549363 /nfs/dbraw/zinc/54/93/63/980549363.db2.gz AEJPYBQTUUYRJD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCCNC(=O)CC[NH+](C)C ZINC001350226432 980549370 /nfs/dbraw/zinc/54/93/70/980549370.db2.gz AEJPYBQTUUYRJD-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)[C@@H]2CC[N@H+](C)C2)n1 ZINC001489080024 1014678535 /nfs/dbraw/zinc/67/85/35/1014678535.db2.gz BYZBTUDGRUIAOK-GFCCVEGCSA-N 2 1 317.393 -0.137 20 30 DBEDMP O=C(C#CC1CC[NH2+]CC1)N1CCc2nc[nH]c2[C@@]12CC[NH2+]C2 ZINC001354901920 980877164 /nfs/dbraw/zinc/87/71/64/980877164.db2.gz CBCGAXHZRYWKPT-KRWDZBQOSA-N 2 1 313.405 -0.014 20 30 DBEDMP C[NH+]1CCC(C(=O)NCCC[NH+]2CCN(CC#N)CC2)CC1 ZINC001490475698 1014988703 /nfs/dbraw/zinc/98/87/03/1014988703.db2.gz XJGGPNAXGRZGQR-UHFFFAOYSA-N 2 1 307.442 -0.024 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001490842108 1015128823 /nfs/dbraw/zinc/12/88/23/1015128823.db2.gz DDPNSAWSJJHOIR-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001490947039 1015168952 /nfs/dbraw/zinc/16/89/52/1015168952.db2.gz VWQRHMYEZUBQBJ-LXTVHRRPSA-N 2 1 320.437 -0.297 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001491081014 1015219874 /nfs/dbraw/zinc/21/98/74/1015219874.db2.gz LNVCDQMRSRHKTB-MJBXVCDLSA-N 2 1 324.425 -0.754 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001491081014 1015219885 /nfs/dbraw/zinc/21/98/85/1015219885.db2.gz LNVCDQMRSRHKTB-MJBXVCDLSA-N 2 1 324.425 -0.754 20 30 DBEDMP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001491487265 1015450095 /nfs/dbraw/zinc/45/00/95/1015450095.db2.gz XXUTVFAUDAVTKJ-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001376874980 990364026 /nfs/dbraw/zinc/36/40/26/990364026.db2.gz FVFRKKNPJPTNHV-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001493186774 1015865046 /nfs/dbraw/zinc/86/50/46/1015865046.db2.gz ZQTUWUFFISIXIW-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001493186774 1015865048 /nfs/dbraw/zinc/86/50/48/1015865048.db2.gz ZQTUWUFFISIXIW-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001493186774 1015865050 /nfs/dbraw/zinc/86/50/50/1015865050.db2.gz ZQTUWUFFISIXIW-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC001493435353 1015932698 /nfs/dbraw/zinc/93/26/98/1015932698.db2.gz IQAKEIWLOPEORY-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+](CCNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001493435353 1015932710 /nfs/dbraw/zinc/93/27/10/1015932710.db2.gz IQAKEIWLOPEORY-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001493435353 1015932719 /nfs/dbraw/zinc/93/27/19/1015932719.db2.gz IQAKEIWLOPEORY-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)C1CC1 ZINC001493435353 1015932728 /nfs/dbraw/zinc/93/27/28/1015932728.db2.gz IQAKEIWLOPEORY-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001493887467 1016086179 /nfs/dbraw/zinc/08/61/79/1016086179.db2.gz YYSRZNGWIKAQQG-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001493887467 1016086193 /nfs/dbraw/zinc/08/61/93/1016086193.db2.gz YYSRZNGWIKAQQG-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001494624955 1016351633 /nfs/dbraw/zinc/35/16/33/1016351633.db2.gz HMYBHAQACQGCAE-TZMCWYRMSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001494624955 1016351640 /nfs/dbraw/zinc/35/16/40/1016351640.db2.gz HMYBHAQACQGCAE-TZMCWYRMSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001410777977 1000899557 /nfs/dbraw/zinc/89/95/57/1000899557.db2.gz BWABQNPLMMKMFC-WDEREUQCSA-N 2 1 320.231 -0.087 20 30 DBEDMP C=C(Br)C[NH2+][C@@H](CO)CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001410777977 1000899562 /nfs/dbraw/zinc/89/95/62/1000899562.db2.gz BWABQNPLMMKMFC-WDEREUQCSA-N 2 1 320.231 -0.087 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)CC)C1 ZINC001494857032 1016457883 /nfs/dbraw/zinc/45/78/83/1016457883.db2.gz QPBPWYQRNDZIJS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)CC)C1 ZINC001494857032 1016457887 /nfs/dbraw/zinc/45/78/87/1016457887.db2.gz QPBPWYQRNDZIJS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857032 1016457896 /nfs/dbraw/zinc/45/78/96/1016457896.db2.gz QPBPWYQRNDZIJS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)CC)C1 ZINC001494857032 1016457902 /nfs/dbraw/zinc/45/79/02/1016457902.db2.gz QPBPWYQRNDZIJS-AWEZNQCLSA-N 2 1 308.426 -0.390 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1c[nH+]cc1C ZINC001495023515 1016523105 /nfs/dbraw/zinc/52/31/05/1016523105.db2.gz KQDDOFIAOVTUTB-KBPBESRZSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)CNC(=O)Cn1cc[nH+]c1C ZINC001495107749 1016551805 /nfs/dbraw/zinc/55/18/05/1016551805.db2.gz JYZKALNSSJAYBJ-JSGCOSHPSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001495784930 1016721119 /nfs/dbraw/zinc/72/11/19/1016721119.db2.gz JNIHLKDJVZXUCK-UONOGXRCSA-N 2 1 308.426 -0.581 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001439063000 1003858282 /nfs/dbraw/zinc/85/82/82/1003858282.db2.gz UMZMPQHHKKFTHU-VXGBXAGGSA-N 2 1 305.806 -0.474 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@@H](O)CNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001439063000 1003858285 /nfs/dbraw/zinc/85/82/85/1003858285.db2.gz UMZMPQHHKKFTHU-VXGBXAGGSA-N 2 1 305.806 -0.474 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001419715371 1004952075 /nfs/dbraw/zinc/95/20/75/1004952075.db2.gz UFAHTGIKMPNGPA-KBPBESRZSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001419715400 1004952158 /nfs/dbraw/zinc/95/21/58/1004952158.db2.gz UFAHTGIKMPNGPA-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC001496582179 1016959256 /nfs/dbraw/zinc/95/92/56/1016959256.db2.gz CMPCJKCAVAYRSD-ZDUSSCGKSA-N 2 1 320.397 -0.438 20 30 DBEDMP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626738 1016974804 /nfs/dbraw/zinc/97/48/04/1016974804.db2.gz HRCVVMMYUQOYCS-ZIAGYGMSSA-N 2 1 323.441 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)Cn1cc[nH+]c1C)C(C)C ZINC001496640807 1016978227 /nfs/dbraw/zinc/97/82/27/1016978227.db2.gz BVYCZMZUSMAAAH-AWEZNQCLSA-N 2 1 319.409 -0.329 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001479285676 1010234443 /nfs/dbraw/zinc/23/44/43/1010234443.db2.gz TZGUVOXNXCPRAO-HZSPNIEDSA-N 2 1 308.426 -0.133 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001479302828 1010245030 /nfs/dbraw/zinc/24/50/30/1010245030.db2.gz SEBVZFCLAWXZKR-MJBXVCDLSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001480149007 1010555349 /nfs/dbraw/zinc/55/53/49/1010555349.db2.gz YLBJQCSUTPBHNW-JOCQHMNTSA-N 2 1 303.366 -0.822 20 30 DBEDMP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001480742600 1010749637 /nfs/dbraw/zinc/74/96/37/1010749637.db2.gz OHYHUERHTYBQKO-AWEZNQCLSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001480742600 1010749645 /nfs/dbraw/zinc/74/96/45/1010749645.db2.gz OHYHUERHTYBQKO-AWEZNQCLSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001480742600 1010749647 /nfs/dbraw/zinc/74/96/47/1010749647.db2.gz OHYHUERHTYBQKO-AWEZNQCLSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC(C)[NH+](C)CC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001480742600 1010749654 /nfs/dbraw/zinc/74/96/54/1010749654.db2.gz OHYHUERHTYBQKO-AWEZNQCLSA-N 2 1 323.441 -0.111 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480992668 1010821961 /nfs/dbraw/zinc/82/19/61/1010821961.db2.gz BOQROUFAEDVLRI-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480992668 1010821963 /nfs/dbraw/zinc/82/19/63/1010821963.db2.gz BOQROUFAEDVLRI-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480992668 1010821964 /nfs/dbraw/zinc/82/19/64/1010821964.db2.gz BOQROUFAEDVLRI-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480992668 1010821965 /nfs/dbraw/zinc/82/19/65/1010821965.db2.gz BOQROUFAEDVLRI-ZIAGYGMSSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480992667 1010822963 /nfs/dbraw/zinc/82/29/63/1010822963.db2.gz BOQROUFAEDVLRI-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001480992667 1010822965 /nfs/dbraw/zinc/82/29/65/1010822965.db2.gz BOQROUFAEDVLRI-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001480992667 1010822969 /nfs/dbraw/zinc/82/29/69/1010822969.db2.gz BOQROUFAEDVLRI-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001480992667 1010822972 /nfs/dbraw/zinc/82/29/72/1010822972.db2.gz BOQROUFAEDVLRI-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O ZINC001481241320 1010870708 /nfs/dbraw/zinc/87/07/08/1010870708.db2.gz TWDZYDCZRYJXBW-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+][C@H]1CCN(CC)C1=O ZINC001481241320 1010870712 /nfs/dbraw/zinc/87/07/12/1010870712.db2.gz TWDZYDCZRYJXBW-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)CC[NH+](C)C)C2)C1=O ZINC001481642172 1010947664 /nfs/dbraw/zinc/94/76/64/1010947664.db2.gz CPGDGFCFFDOGFF-AWEZNQCLSA-N 2 1 308.426 -0.227 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001482100192 1011051576 /nfs/dbraw/zinc/05/15/76/1011051576.db2.gz BCBJPZIALRNLKH-LSDHHAIUSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482299541 1011113522 /nfs/dbraw/zinc/11/35/22/1011113522.db2.gz ZKFUCBOOGZKFTK-KBPBESRZSA-N 2 1 319.409 -0.840 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001482299541 1011113525 /nfs/dbraw/zinc/11/35/25/1011113525.db2.gz ZKFUCBOOGZKFTK-KBPBESRZSA-N 2 1 319.409 -0.840 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482310051 1011114505 /nfs/dbraw/zinc/11/45/05/1011114505.db2.gz MSJQWXFETRCJOL-TZMCWYRMSA-N 2 1 319.409 -0.234 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001482537453 1011173906 /nfs/dbraw/zinc/17/39/06/1011173906.db2.gz CRBQBUMKSHYNRE-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)C(C)C ZINC001482537454 1011174653 /nfs/dbraw/zinc/17/46/53/1011174653.db2.gz CRBQBUMKSHYNRE-GJZGRUSLSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC ZINC001497208132 1017310883 /nfs/dbraw/zinc/31/08/83/1017310883.db2.gz ORHFSIXUNXHXSQ-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC(=O)NCC ZINC001497208132 1017310895 /nfs/dbraw/zinc/31/08/95/1017310895.db2.gz ORHFSIXUNXHXSQ-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC ZINC001497208131 1017311491 /nfs/dbraw/zinc/31/14/91/1017311491.db2.gz ORHFSIXUNXHXSQ-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC(=O)NCC ZINC001497208131 1017311502 /nfs/dbraw/zinc/31/15/02/1017311502.db2.gz ORHFSIXUNXHXSQ-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001483136139 1011720234 /nfs/dbraw/zinc/72/02/34/1011720234.db2.gz GIQQFAJOXGSKTA-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC(=O)NCC1CC1 ZINC001483136139 1011720252 /nfs/dbraw/zinc/72/02/52/1011720252.db2.gz GIQQFAJOXGSKTA-HIFRSBDPSA-N 2 1 320.437 -0.296 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001483149304 1011739704 /nfs/dbraw/zinc/73/97/04/1011739704.db2.gz DJCSIAHGQSCLBN-YPMHNXCESA-N 2 1 307.398 -0.023 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001483510480 1011894213 /nfs/dbraw/zinc/89/42/13/1011894213.db2.gz LLKAZVMNSRKDPR-UHFFFAOYSA-N 2 1 305.382 -0.621 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC001483548633 1011899985 /nfs/dbraw/zinc/89/99/85/1011899985.db2.gz BVPGVIMOIHYJPO-UONOGXRCSA-N 2 1 308.426 -0.133 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)COC)CC1 ZINC001483743191 1012106309 /nfs/dbraw/zinc/10/63/09/1012106309.db2.gz QJHVKCDAWIXUMH-KGLIPLIRSA-N 2 1 309.410 -0.670 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@@H](O)COC)CC1 ZINC001483743191 1012106321 /nfs/dbraw/zinc/10/63/21/1012106321.db2.gz QJHVKCDAWIXUMH-KGLIPLIRSA-N 2 1 309.410 -0.670 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001484124103 1012320200 /nfs/dbraw/zinc/32/02/00/1012320200.db2.gz FCUOSZVXOPXHSS-YOEHRIQHSA-N 2 1 320.437 -0.484 20 30 DBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234247 1012429254 /nfs/dbraw/zinc/42/92/54/1012429254.db2.gz SYNKNEUDDPEDGR-YOEHRIQHSA-N 2 1 316.405 -0.060 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234247 1012429261 /nfs/dbraw/zinc/42/92/61/1012429261.db2.gz SYNKNEUDDPEDGR-YOEHRIQHSA-N 2 1 316.405 -0.060 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)Cn1cc[nH+]c1C ZINC001484501548 1012744969 /nfs/dbraw/zinc/74/49/69/1012744969.db2.gz ZLYAAGUJBDSTLD-UHFFFAOYSA-N 2 1 308.382 -0.748 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)Cn2c[nH+]cc2C)CCC1 ZINC001484642730 1012809419 /nfs/dbraw/zinc/80/94/19/1012809419.db2.gz LXOULKUYUSBJTQ-UHFFFAOYSA-N 2 1 317.393 -0.431 20 30 DBEDMP C=CCOCC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484700069 1012836463 /nfs/dbraw/zinc/83/64/63/1012836463.db2.gz XCGGGNXCEWRRPP-CABCVRRESA-N 2 1 311.426 -0.042 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001484724183 1012841091 /nfs/dbraw/zinc/84/10/91/1012841091.db2.gz ODIHOCPKAIHDCP-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001484724183 1012841095 /nfs/dbraw/zinc/84/10/95/1012841095.db2.gz ODIHOCPKAIHDCP-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001484724183 1012841099 /nfs/dbraw/zinc/84/10/99/1012841099.db2.gz ODIHOCPKAIHDCP-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001484724183 1012841102 /nfs/dbraw/zinc/84/11/02/1012841102.db2.gz ODIHOCPKAIHDCP-CQSZACIVSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CC[NH2+][C@@]1(CO)CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001484850407 1012877171 /nfs/dbraw/zinc/87/71/71/1012877171.db2.gz HJXFSTRLOKWRFQ-INIZCTEOSA-N 2 1 309.410 -0.715 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484986932 1012925326 /nfs/dbraw/zinc/92/53/26/1012925326.db2.gz VYXZPJFSLOVQTG-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC001484986932 1012925341 /nfs/dbraw/zinc/92/53/41/1012925341.db2.gz VYXZPJFSLOVQTG-LSDHHAIUSA-N 2 1 320.437 -0.199 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N[C@H](C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC001485178974 1013038329 /nfs/dbraw/zinc/03/83/29/1013038329.db2.gz XJWMTAGLKPHBKG-NWDGAFQWSA-N 2 1 306.370 -0.686 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001485177653 1013039320 /nfs/dbraw/zinc/03/93/20/1013039320.db2.gz QZZHFMMPLYOODZ-STQMWFEESA-N 2 1 307.398 -0.023 20 30 DBEDMP CCN(CC[NH2+]CC#CCOC)C(=O)CC[NH+]1CCOCC1 ZINC001497477477 1017390098 /nfs/dbraw/zinc/39/00/98/1017390098.db2.gz GMAQNWWWIFMXHN-UHFFFAOYSA-N 2 1 311.426 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001497586533 1017433196 /nfs/dbraw/zinc/43/31/96/1017433196.db2.gz WMNVZZPMIHMANY-ZQXYTJGRSA-N 2 1 320.437 -0.274 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374168 1017757549 /nfs/dbraw/zinc/75/75/49/1017757549.db2.gz CGJNYSVUGBTKNV-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001498374168 1017757564 /nfs/dbraw/zinc/75/75/64/1017757564.db2.gz CGJNYSVUGBTKNV-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N[C@@H](C)CN(C)CC(=O)NCC#N ZINC001498454922 1017807533 /nfs/dbraw/zinc/80/75/33/1017807533.db2.gz GWOYAIYGEPPTBV-NSHDSACASA-N 2 1 306.370 -0.732 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC(=O)NCC#N)C2CC2)C1 ZINC001498863688 1017876813 /nfs/dbraw/zinc/87/68/13/1017876813.db2.gz MQWNYNGAGQOPPQ-STQMWFEESA-N 2 1 307.398 -0.938 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001499225255 1018033415 /nfs/dbraw/zinc/03/34/15/1018033415.db2.gz AGMSDVGYOODSMV-AWEZNQCLSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001499243447 1018041286 /nfs/dbraw/zinc/04/12/86/1018041286.db2.gz HCYGWSOKVAOHRE-CQSZACIVSA-N 2 1 320.437 -0.151 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001500687092 1018407245 /nfs/dbraw/zinc/40/72/45/1018407245.db2.gz RIRUAANVANYEKJ-KRWDZBQOSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@H+](C)C2CCC2)C1 ZINC001500687092 1018407253 /nfs/dbraw/zinc/40/72/53/1018407253.db2.gz RIRUAANVANYEKJ-KRWDZBQOSA-N 2 1 323.437 -0.327 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)C[N@@H+](C)C2CCC2)C1 ZINC001500687092 1018407257 /nfs/dbraw/zinc/40/72/57/1018407257.db2.gz RIRUAANVANYEKJ-KRWDZBQOSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001501152699 1018586569 /nfs/dbraw/zinc/58/65/69/1018586569.db2.gz CFFUBGUNCFCFPI-KBPBESRZSA-N 2 1 323.441 -0.350 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001501865613 1018887889 /nfs/dbraw/zinc/88/78/89/1018887889.db2.gz FTVKBJZUADIJMP-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)[C@@H](C)C1 ZINC001502727866 1019151264 /nfs/dbraw/zinc/15/12/64/1019151264.db2.gz MQYGGVUHXKSZKY-AAEUAGOBSA-N 2 1 318.381 -0.732 20 30 DBEDMP CC#CC[C@H]([NH3+])C(=O)N[C@@H]1CC(=O)N(CC[N@H+](C)CCOC)C1 ZINC001574973139 1019336167 /nfs/dbraw/zinc/33/61/67/1019336167.db2.gz SSUKXBJKTLIFLS-KGLIPLIRSA-N 2 1 324.425 -0.978 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001505939267 1019614246 /nfs/dbraw/zinc/61/42/46/1019614246.db2.gz DLXCRANXYJUSFE-JSGCOSHPSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001505939267 1019614252 /nfs/dbraw/zinc/61/42/52/1019614252.db2.gz DLXCRANXYJUSFE-JSGCOSHPSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001507161121 1020110414 /nfs/dbraw/zinc/11/04/14/1020110414.db2.gz XQMQJULFZJQPRH-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC#CCOC)C1 ZINC001507161121 1020110422 /nfs/dbraw/zinc/11/04/22/1020110422.db2.gz XQMQJULFZJQPRH-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001565878125 1024086373 /nfs/dbraw/zinc/08/63/73/1024086373.db2.gz MEVWSIGHRFJPMX-HDJSIYSDSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](OCC)C1 ZINC001565949098 1024093335 /nfs/dbraw/zinc/09/33/35/1024093335.db2.gz WOAMDYNOJHLPMJ-OWCLPIDISA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CCO)[C@H](OCC)C1 ZINC001565949098 1024093353 /nfs/dbraw/zinc/09/33/53/1024093353.db2.gz WOAMDYNOJHLPMJ-OWCLPIDISA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001566460766 1024174754 /nfs/dbraw/zinc/17/47/54/1024174754.db2.gz CAGARGVQBUDITE-UHFFFAOYSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001566793823 1024373103 /nfs/dbraw/zinc/37/31/03/1024373103.db2.gz ZZPQBEIQYNAHAS-IHRRRGAJSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001566793823 1024373121 /nfs/dbraw/zinc/37/31/21/1024373121.db2.gz ZZPQBEIQYNAHAS-IHRRRGAJSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001566793331 1024374425 /nfs/dbraw/zinc/37/44/25/1024374425.db2.gz OHPGKZUPNVRSQP-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001566793331 1024374442 /nfs/dbraw/zinc/37/44/42/1024374442.db2.gz OHPGKZUPNVRSQP-KKUMJFAQSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001566842816 1024388966 /nfs/dbraw/zinc/38/89/66/1024388966.db2.gz XSTHRCZUOCFNDD-ZNMIVQPWSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)C)C1 ZINC001566842816 1024388982 /nfs/dbraw/zinc/38/89/82/1024388982.db2.gz XSTHRCZUOCFNDD-ZNMIVQPWSA-N 2 1 320.437 -0.155 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001566880604 1024407429 /nfs/dbraw/zinc/40/74/29/1024407429.db2.gz ARRIGWNKZVOHJH-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001566880604 1024407445 /nfs/dbraw/zinc/40/74/45/1024407445.db2.gz ARRIGWNKZVOHJH-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001566880604 1024407464 /nfs/dbraw/zinc/40/74/64/1024407464.db2.gz ARRIGWNKZVOHJH-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001566939444 1024430436 /nfs/dbraw/zinc/43/04/36/1024430436.db2.gz AVJGCSUSGJRINU-KGLIPLIRSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(N)=O ZINC001566939444 1024430440 /nfs/dbraw/zinc/43/04/40/1024430440.db2.gz AVJGCSUSGJRINU-KGLIPLIRSA-N 2 1 306.410 -0.460 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001566982016 1024455881 /nfs/dbraw/zinc/45/58/81/1024455881.db2.gz RBSJZSAKDUXSAK-NRXISQOPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001567017334 1024470758 /nfs/dbraw/zinc/47/07/58/1024470758.db2.gz YYXMANLAQCBILD-KGLIPLIRSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001567035688 1024480016 /nfs/dbraw/zinc/48/00/16/1024480016.db2.gz DZFLZUPTGIKRJL-YPMHNXCESA-N 2 1 305.382 -0.576 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567096833 1024520607 /nfs/dbraw/zinc/52/06/07/1024520607.db2.gz UVIITGZDLVQYCL-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001567126993 1024538457 /nfs/dbraw/zinc/53/84/57/1024538457.db2.gz CDUVZZDUTIGXKG-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]C[C@@H](O)COC)C1 ZINC001567126993 1024538483 /nfs/dbraw/zinc/53/84/83/1024538483.db2.gz CDUVZZDUTIGXKG-XHSDSOJGSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001567140604 1024540713 /nfs/dbraw/zinc/54/07/13/1024540713.db2.gz OJXHQGXAGUFORY-CABCVRRESA-N 2 1 320.437 -0.484 20 30 DBEDMP C[N@H+]1CC[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001567153117 1024552574 /nfs/dbraw/zinc/55/25/74/1024552574.db2.gz HVILRXXYMIPBPZ-STQMWFEESA-N 2 1 307.398 -0.984 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001567177969 1024560668 /nfs/dbraw/zinc/56/06/68/1024560668.db2.gz YMYZYNSWOLKBMK-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001567218177 1024578953 /nfs/dbraw/zinc/57/89/53/1024578953.db2.gz GDEKNPBOPRCLFD-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001567218177 1024578990 /nfs/dbraw/zinc/57/89/90/1024578990.db2.gz GDEKNPBOPRCLFD-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001567319004 1024629801 /nfs/dbraw/zinc/62/98/01/1024629801.db2.gz WBTPGLQPUDXUNS-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+](C)CCNC(=O)[C@H]2CC[NH+](C)C2)C1=O ZINC001567319004 1024629803 /nfs/dbraw/zinc/62/98/03/1024629803.db2.gz WBTPGLQPUDXUNS-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@H+](C)C2)C1=O ZINC001567319004 1024629806 /nfs/dbraw/zinc/62/98/06/1024629806.db2.gz WBTPGLQPUDXUNS-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+](C)CCNC(=O)[C@H]2CC[N@@H+](C)C2)C1=O ZINC001567319004 1024629808 /nfs/dbraw/zinc/62/98/08/1024629808.db2.gz WBTPGLQPUDXUNS-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567373985 1024654477 /nfs/dbraw/zinc/65/44/77/1024654477.db2.gz OTKCWXQYJIVHOT-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567373985 1024654482 /nfs/dbraw/zinc/65/44/82/1024654482.db2.gz OTKCWXQYJIVHOT-AWEZNQCLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395646 1024668199 /nfs/dbraw/zinc/66/81/99/1024668199.db2.gz OEIZTWVDRZECEX-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001567395646 1024668214 /nfs/dbraw/zinc/66/82/14/1024668214.db2.gz OEIZTWVDRZECEX-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001567395646 1024668224 /nfs/dbraw/zinc/66/82/24/1024668224.db2.gz OEIZTWVDRZECEX-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001567395646 1024668234 /nfs/dbraw/zinc/66/82/34/1024668234.db2.gz OEIZTWVDRZECEX-QWHCGFSZSA-N 2 1 307.398 -0.842 20 30 DBEDMP CN(CC[NH2+]CC(=O)NCC#N)C(=O)CC[C@H]1CCC[N@H+]1C ZINC001567511578 1024750898 /nfs/dbraw/zinc/75/08/98/1024750898.db2.gz ZNJBYMYEOVUDQM-CYBMUJFWSA-N 2 1 309.414 -0.451 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567695920 1024810291 /nfs/dbraw/zinc/81/02/91/1024810291.db2.gz HXJVCOSJCIPQMP-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567695920 1024810294 /nfs/dbraw/zinc/81/02/94/1024810294.db2.gz HXJVCOSJCIPQMP-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567695920 1024810295 /nfs/dbraw/zinc/81/02/95/1024810295.db2.gz HXJVCOSJCIPQMP-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001567737382 1024817165 /nfs/dbraw/zinc/81/71/65/1024817165.db2.gz ZROMDHHHYNNPSR-AWEZNQCLSA-N 2 1 308.426 -0.532 20 30 DBEDMP C=CCOCC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001567848621 1024833501 /nfs/dbraw/zinc/83/35/01/1024833501.db2.gz IBSWKHODHUGGGQ-OAHLLOKOSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C[C@@H](O)COC)C1 ZINC001567915019 1024845868 /nfs/dbraw/zinc/84/58/68/1024845868.db2.gz JGABCYOXWSNGCK-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](C[C@@H](O)COC)C1 ZINC001567915019 1024845871 /nfs/dbraw/zinc/84/58/71/1024845871.db2.gz JGABCYOXWSNGCK-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567915019 1024845872 /nfs/dbraw/zinc/84/58/72/1024845872.db2.gz JGABCYOXWSNGCK-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](C[C@@H](O)COC)C1 ZINC001567915019 1024845873 /nfs/dbraw/zinc/84/58/73/1024845873.db2.gz JGABCYOXWSNGCK-XHSDSOJGSA-N 2 1 323.437 -0.376 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(CC)C(=O)Cn1c[nH+]cc1C ZINC001568759868 1025008922 /nfs/dbraw/zinc/00/89/22/1025008922.db2.gz AMVNKMUSKVPBMT-UHFFFAOYSA-N 2 1 305.382 -0.621 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O ZINC001568866507 1025053666 /nfs/dbraw/zinc/05/36/66/1025053666.db2.gz USWMBNTWLIUHOY-CGXNLCPXSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+][C@H]1CCCNC1=O ZINC001568866507 1025053678 /nfs/dbraw/zinc/05/36/78/1025053678.db2.gz USWMBNTWLIUHOY-CGXNLCPXSA-N 2 1 318.421 -0.375 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001569297518 1025191864 /nfs/dbraw/zinc/19/18/64/1025191864.db2.gz MBNGTALLCOXHDA-CABCVRRESA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001569297518 1025191875 /nfs/dbraw/zinc/19/18/75/1025191875.db2.gz MBNGTALLCOXHDA-CABCVRRESA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569652982 1025299414 /nfs/dbraw/zinc/29/94/14/1025299414.db2.gz CKXAPVUWLDRXNW-CZUORRHYSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001569652982 1025299424 /nfs/dbraw/zinc/29/94/24/1025299424.db2.gz CKXAPVUWLDRXNW-CZUORRHYSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652982 1025299431 /nfs/dbraw/zinc/29/94/31/1025299431.db2.gz CKXAPVUWLDRXNW-CZUORRHYSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652982 1025299438 /nfs/dbraw/zinc/29/94/38/1025299438.db2.gz CKXAPVUWLDRXNW-CZUORRHYSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC(=O)NCC#N)C1 ZINC001569695581 1025309381 /nfs/dbraw/zinc/30/93/81/1025309381.db2.gz QBXLYNKMZGWLHY-MRXNPFEDSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC001569764901 1025348945 /nfs/dbraw/zinc/34/89/45/1025348945.db2.gz FXPJPPCCNHDMIO-HOCLYGCPSA-N 2 1 309.410 -0.859 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001569824912 1025370402 /nfs/dbraw/zinc/37/04/02/1025370402.db2.gz BZPZUDOMQPJAEJ-CABCVRRESA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)CC)C1 ZINC001569824915 1025370637 /nfs/dbraw/zinc/37/06/37/1025370637.db2.gz BZPZUDOMQPJAEJ-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CCC1 ZINC001570114308 1025481700 /nfs/dbraw/zinc/48/17/00/1025481700.db2.gz ZIDPNXDVYKREDR-AWEZNQCLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001570398133 1025596397 /nfs/dbraw/zinc/59/63/97/1025596397.db2.gz WHEUDEKOMACFKY-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[NH+](C)CCC(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001570398133 1025596411 /nfs/dbraw/zinc/59/64/11/1025596411.db2.gz WHEUDEKOMACFKY-ZDUSSCGKSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570710289 1025709592 /nfs/dbraw/zinc/70/95/92/1025709592.db2.gz FVJYAMDILJRWCB-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001570710289 1025709617 /nfs/dbraw/zinc/70/96/17/1025709617.db2.gz FVJYAMDILJRWCB-UKRRQHHQSA-N 2 1 320.437 -0.486 20 30 DBEDMP COCC#CC[N@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001570742869 1025727791 /nfs/dbraw/zinc/72/77/91/1025727791.db2.gz XZIBTXYAYNPUFO-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[N@@H+](C)[C@H](C)CNC(=O)CC[NH+]1CCOCC1 ZINC001570742869 1025727806 /nfs/dbraw/zinc/72/78/06/1025727806.db2.gz XZIBTXYAYNPUFO-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001570731672 1025729279 /nfs/dbraw/zinc/72/92/79/1025729279.db2.gz JWOSRADXGCWUMD-MJBXVCDLSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001570731672 1025729297 /nfs/dbraw/zinc/72/92/97/1025729297.db2.gz JWOSRADXGCWUMD-MJBXVCDLSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001570731672 1025729315 /nfs/dbraw/zinc/72/93/15/1025729315.db2.gz JWOSRADXGCWUMD-MJBXVCDLSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001570731672 1025729334 /nfs/dbraw/zinc/72/93/34/1025729334.db2.gz JWOSRADXGCWUMD-MJBXVCDLSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001570731671 1025730477 /nfs/dbraw/zinc/73/04/77/1025730477.db2.gz JWOSRADXGCWUMD-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001570731671 1025730503 /nfs/dbraw/zinc/73/05/03/1025730503.db2.gz JWOSRADXGCWUMD-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001570731671 1025730521 /nfs/dbraw/zinc/73/05/21/1025730521.db2.gz JWOSRADXGCWUMD-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001570731671 1025730541 /nfs/dbraw/zinc/73/05/41/1025730541.db2.gz JWOSRADXGCWUMD-IHRRRGAJSA-N 2 1 323.441 -0.207 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N(C)C[C@H](C)[NH2+]CC(=O)NCC#N ZINC001571396360 1025932279 /nfs/dbraw/zinc/93/22/79/1025932279.db2.gz AQTZXSPFTICDLO-NSHDSACASA-N 2 1 306.370 -0.732 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001571418091 1025952342 /nfs/dbraw/zinc/95/23/42/1025952342.db2.gz PXKSIKHMRAAAHS-LLVKDONJSA-N 2 1 306.370 -0.732 20 30 DBEDMP Cc1c[nH+]cn1CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1C ZINC001571459434 1026032429 /nfs/dbraw/zinc/03/24/29/1026032429.db2.gz DLQXHYLLQYFDGL-QWHCGFSZSA-N 2 1 318.381 -0.590 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001571523314 1026057461 /nfs/dbraw/zinc/05/74/61/1026057461.db2.gz RBQPWTLGMCGTQR-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001571523314 1026057490 /nfs/dbraw/zinc/05/74/90/1026057490.db2.gz RBQPWTLGMCGTQR-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001571523312 1026060160 /nfs/dbraw/zinc/06/01/60/1026060160.db2.gz RBQPWTLGMCGTQR-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]1C ZINC001571523312 1026060173 /nfs/dbraw/zinc/06/01/73/1026060173.db2.gz RBQPWTLGMCGTQR-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001571608770 1026122629 /nfs/dbraw/zinc/12/26/29/1026122629.db2.gz OXKSERVLEWVNOC-HUUCEWRRSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571608770 1026122659 /nfs/dbraw/zinc/12/26/59/1026122659.db2.gz OXKSERVLEWVNOC-HUUCEWRRSA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571608770 1026122678 /nfs/dbraw/zinc/12/26/78/1026122678.db2.gz OXKSERVLEWVNOC-HUUCEWRRSA-N 2 1 311.426 -0.661 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001571664788 1026137766 /nfs/dbraw/zinc/13/77/66/1026137766.db2.gz WFPPIQWLJMHJKJ-WLYUNCDWSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001571867208 1026205662 /nfs/dbraw/zinc/20/56/62/1026205662.db2.gz LNHDDIPBGBJGSG-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001571867208 1026205667 /nfs/dbraw/zinc/20/56/67/1026205667.db2.gz LNHDDIPBGBJGSG-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP COCCNC(=[NH2+])NCc1cccnc1N1CC[NH+](C)CC1 ZINC000195522765 237010014 /nfs/dbraw/zinc/01/00/14/237010014.db2.gz JXMOPLOQFNPFNX-UHFFFAOYSA-N 2 1 306.414 -0.116 20 30 DBEDMP CN(CCC#N)C[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000566124804 374742415 /nfs/dbraw/zinc/74/24/15/374742415.db2.gz MYZOJOFMMRDGPV-HNNXBMFYSA-N 2 1 311.474 -0.192 20 30 DBEDMP C[NH+]1CCN(C(=O)CCNC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594440416 375930815 /nfs/dbraw/zinc/93/08/15/375930815.db2.gz CCWZSTDRYVHWMC-CYBMUJFWSA-N 2 1 309.414 -0.322 20 30 DBEDMP COCCNC(=[NH2+])NCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000161490751 392631997 /nfs/dbraw/zinc/63/19/97/392631997.db2.gz YXJFMBQMPSKTLA-UHFFFAOYSA-N 2 1 321.429 -0.461 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](C)CC2(O)CCOCC2)CC1 ZINC000491037325 392637722 /nfs/dbraw/zinc/63/77/22/392637722.db2.gz CZZRTNUAORBBRA-UHFFFAOYSA-N 2 1 309.410 -0.763 20 30 DBEDMP C#CCN1CCN(C(=O)CN(C)CC2(O)CCOCC2)CC1 ZINC000491037325 392637726 /nfs/dbraw/zinc/63/77/26/392637726.db2.gz CZZRTNUAORBBRA-UHFFFAOYSA-N 2 1 309.410 -0.763 20 30 DBEDMP C#CCNC(=O)CC[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000491699430 393824420 /nfs/dbraw/zinc/82/44/20/393824420.db2.gz NJAVVWLFIQJOBG-UHFFFAOYSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCOC)[C@H]2CCO[C@@H]2C)CC1 ZINC000491758667 393828715 /nfs/dbraw/zinc/82/87/15/393828715.db2.gz IYCJIDINVJSMBH-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCOC)[C@H]2CCO[C@@H]2C)CC1 ZINC000491758667 393828719 /nfs/dbraw/zinc/82/87/19/393828719.db2.gz IYCJIDINVJSMBH-CVEARBPZSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)CC1 ZINC000491752495 393829017 /nfs/dbraw/zinc/82/90/17/393829017.db2.gz MJQPCHTUSMKBTC-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN1CCN(C(=O)CN(C[C@@H]2CCC(=O)N2)C(C)C)CC1 ZINC000491752495 393829024 /nfs/dbraw/zinc/82/90/24/393829024.db2.gz MJQPCHTUSMKBTC-HNNXBMFYSA-N 2 1 320.437 -0.247 20 30 DBEDMP C=CC[C@@]1(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000662678101 412194276 /nfs/dbraw/zinc/19/42/76/412194276.db2.gz BIDDWQXAHTYDSP-INIZCTEOSA-N 2 1 308.426 -0.035 20 30 DBEDMP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000672355869 544771414 /nfs/dbraw/zinc/77/14/14/544771414.db2.gz GFZJHZVKJZEOLJ-CQSZACIVSA-N 2 1 308.426 -0.037 20 30 DBEDMP NC(=O)C[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](CC(N)=O)C2)C1 ZINC000676923111 544882289 /nfs/dbraw/zinc/88/22/89/544882289.db2.gz BQJSQAPYGJQJMK-ZIAGYGMSSA-N 2 1 306.410 -0.616 20 30 DBEDMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)NCc1nnn(C)n1 ZINC000330220579 336126258 /nfs/dbraw/zinc/12/62/58/336126258.db2.gz KXQMPJPSAVZFSL-UHFFFAOYSA-N 2 1 324.433 -0.418 20 30 DBEDMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)NCc1nnn(C)n1 ZINC000330220579 336126259 /nfs/dbraw/zinc/12/62/59/336126259.db2.gz KXQMPJPSAVZFSL-UHFFFAOYSA-N 2 1 324.433 -0.418 20 30 DBEDMP C=CC[NH+]1CCC(NC(NC[C@@H]2CN3CCN2CC3)=[NH+]C)CC1 ZINC000179229250 526416175 /nfs/dbraw/zinc/41/61/75/526416175.db2.gz BHWUZAGCMORVFG-MRXNPFEDSA-N 2 1 320.485 -0.198 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(C(N)=O)CCOCC1 ZINC000303902949 529101104 /nfs/dbraw/zinc/10/11/04/529101104.db2.gz YCJHBLZWMMLTBI-LBPRGKRZSA-N 2 1 311.430 -0.343 20 30 DBEDMP C[NH+]=C(NC[C@@H]1C[NH+]2CCN1CC2)N[C@@H]1CN(C2CC2)C[C@H]1C ZINC000261664640 665964764 /nfs/dbraw/zinc/96/47/64/665964764.db2.gz BFJWHUNCGBZNRE-FVQBIDKESA-N 2 1 320.485 -0.366 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026508773 665203206 /nfs/dbraw/zinc/20/32/06/665203206.db2.gz KDQADYLBRZEURS-RUXDESIVSA-N 2 1 306.410 -0.414 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(N)=O)CC1 ZINC001026508773 665203207 /nfs/dbraw/zinc/20/32/07/665203207.db2.gz KDQADYLBRZEURS-RUXDESIVSA-N 2 1 306.410 -0.414 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCC(=O)N1CCOCC1 ZINC000170910120 674908261 /nfs/dbraw/zinc/90/82/61/674908261.db2.gz APSIGGDMVMYVQH-ZDUSSCGKSA-N 2 1 311.430 -0.376 20 30 DBEDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNS(C)(=O)=O ZINC000303900153 671491032 /nfs/dbraw/zinc/49/10/32/671491032.db2.gz SBZKTFOEBLOAJC-NSHDSACASA-N 2 1 305.448 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)C(N)=O)C1 ZINC001030019190 671855217 /nfs/dbraw/zinc/85/52/17/671855217.db2.gz HZRAYNDTZVZULR-IHRRRGAJSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941668587 677839771 /nfs/dbraw/zinc/83/97/71/677839771.db2.gz PQCNAQCRNLUBAS-UHFFFAOYSA-N 2 1 304.438 -0.066 20 30 DBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186362 678058296 /nfs/dbraw/zinc/05/82/96/678058296.db2.gz OYLDQZDWPFMGHD-HUUCEWRRSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCN1CC[C@@H]([NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186362 678058298 /nfs/dbraw/zinc/05/82/98/678058298.db2.gz OYLDQZDWPFMGHD-HUUCEWRRSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)C1=O ZINC001032186361 678058393 /nfs/dbraw/zinc/05/83/93/678058393.db2.gz OYLDQZDWPFMGHD-GJZGRUSLSA-N 2 1 320.437 -0.227 20 30 DBEDMP C=CCN1CC[C@H]([NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001032186361 678058396 /nfs/dbraw/zinc/05/83/96/678058396.db2.gz OYLDQZDWPFMGHD-GJZGRUSLSA-N 2 1 320.437 -0.227 20 30 DBEDMP C[NH+]1CCN(C(=O)CCNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852858411 805983577 /nfs/dbraw/zinc/98/35/77/805983577.db2.gz BRTMPONWPUEGIP-UHFFFAOYSA-N 2 1 306.410 -0.730 20 30 DBEDMP C#CCNC(=O)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001316846123 806006639 /nfs/dbraw/zinc/00/66/39/806006639.db2.gz XIUJAJOERALVQS-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316846123 806006646 /nfs/dbraw/zinc/00/66/46/806006646.db2.gz XIUJAJOERALVQS-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316846123 806006652 /nfs/dbraw/zinc/00/66/52/806006652.db2.gz XIUJAJOERALVQS-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984469 806060930 /nfs/dbraw/zinc/06/09/30/806060930.db2.gz ASHZKVFWKVGPBR-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001316984469 806060939 /nfs/dbraw/zinc/06/09/39/806060939.db2.gz ASHZKVFWKVGPBR-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987834 806062707 /nfs/dbraw/zinc/06/27/07/806062707.db2.gz ZQMAOCKAGMLYGI-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316987834 806062717 /nfs/dbraw/zinc/06/27/17/806062717.db2.gz ZQMAOCKAGMLYGI-UONOGXRCSA-N 2 1 320.437 -0.343 20 30 DBEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011806 806069470 /nfs/dbraw/zinc/06/94/70/806069470.db2.gz LWQIHLJYUIRQFY-LSDHHAIUSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011806 806069478 /nfs/dbraw/zinc/06/94/78/806069478.db2.gz LWQIHLJYUIRQFY-LSDHHAIUSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1 ZINC001317017345 806070314 /nfs/dbraw/zinc/07/03/14/806070314.db2.gz TVPHJFUYVZITFX-KBPBESRZSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC(=O)NC)C1CC1 ZINC001317017345 806070323 /nfs/dbraw/zinc/07/03/23/806070323.db2.gz TVPHJFUYVZITFX-KBPBESRZSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC1 ZINC001317030700 806072652 /nfs/dbraw/zinc/07/26/52/806072652.db2.gz WLUQOXHZCJCBCI-DZGCQCFKSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317040010 806074641 /nfs/dbraw/zinc/07/46/41/806074641.db2.gz CAWKFZTZZWUJBA-OAHLLOKOSA-N 2 1 322.453 -0.142 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001317096651 806087257 /nfs/dbraw/zinc/08/72/57/806087257.db2.gz IWUJEMJCTUEKIP-UBHSHLNASA-N 2 1 317.393 -0.434 20 30 DBEDMP COCC#CC[NH2+][C@H]1C[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001317121876 806092878 /nfs/dbraw/zinc/09/28/78/806092878.db2.gz ORHMEUKGPHSPDH-GASCZTMLSA-N 2 1 309.410 -0.405 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001317124701 806093182 /nfs/dbraw/zinc/09/31/82/806093182.db2.gz VWQRHMYEZUBQBJ-LJISPDSOSA-N 2 1 320.437 -0.297 20 30 DBEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001317219150 806108503 /nfs/dbraw/zinc/10/85/03/806108503.db2.gz DKZLXEQVNWTAEC-GPANFISMSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219150 806108506 /nfs/dbraw/zinc/10/85/06/806108506.db2.gz DKZLXEQVNWTAEC-GPANFISMSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001317219151 806108556 /nfs/dbraw/zinc/10/85/56/806108556.db2.gz DKZLXEQVNWTAEC-UYSNPLJNSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+]C1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001317219151 806108559 /nfs/dbraw/zinc/10/85/59/806108559.db2.gz DKZLXEQVNWTAEC-UYSNPLJNSA-N 2 1 323.437 -0.016 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001317344250 806136315 /nfs/dbraw/zinc/13/63/15/806136315.db2.gz RBDBKSYHSNNRRX-AWEZNQCLSA-N 2 1 319.409 -0.068 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317452596 806154126 /nfs/dbraw/zinc/15/41/26/806154126.db2.gz JQFKNGPYBKFAFZ-KGLIPLIRSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001317452596 806154131 /nfs/dbraw/zinc/15/41/31/806154131.db2.gz JQFKNGPYBKFAFZ-KGLIPLIRSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001317536209 806180369 /nfs/dbraw/zinc/18/03/69/806180369.db2.gz KLUQWUCDEGDXEK-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001318512635 806307704 /nfs/dbraw/zinc/30/77/04/806307704.db2.gz TVVDZFYAKKOKNG-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001318512635 806307706 /nfs/dbraw/zinc/30/77/06/806307706.db2.gz TVVDZFYAKKOKNG-OLZOCXBDSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001318665580 806319519 /nfs/dbraw/zinc/31/95/19/806319519.db2.gz ANLFOWOQAVURHJ-CQSZACIVSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001318897912 806332976 /nfs/dbraw/zinc/33/29/76/806332976.db2.gz ZAZYXDQNVRIFDN-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC(N)=O)CC1 ZINC001318897912 806332987 /nfs/dbraw/zinc/33/29/87/806332987.db2.gz ZAZYXDQNVRIFDN-HNNXBMFYSA-N 2 1 320.437 -0.212 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001319466544 806383046 /nfs/dbraw/zinc/38/30/46/806383046.db2.gz LYSPHGINLDSXOX-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001319642832 806399982 /nfs/dbraw/zinc/39/99/82/806399982.db2.gz KVQCZIJDBWNSBK-CABCVRRESA-N 2 1 322.453 -0.192 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001320008534 806429063 /nfs/dbraw/zinc/42/90/63/806429063.db2.gz JBGCQXPKMRSNGX-AWEZNQCLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001320089908 806439133 /nfs/dbraw/zinc/43/91/33/806439133.db2.gz HKUNSAJBOYHKRY-OAHLLOKOSA-N 2 1 322.453 -0.014 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)CC[N@H+](C)[C@H](CC)C(N)=O)CC1 ZINC001320089908 806439140 /nfs/dbraw/zinc/43/91/40/806439140.db2.gz HKUNSAJBOYHKRY-OAHLLOKOSA-N 2 1 322.453 -0.014 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001321098680 806571443 /nfs/dbraw/zinc/57/14/43/806571443.db2.gz YMWMQIRHHPHKGV-NFAHFFEMSA-N 2 1 316.405 -0.905 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001321098680 806571446 /nfs/dbraw/zinc/57/14/46/806571446.db2.gz YMWMQIRHHPHKGV-NFAHFFEMSA-N 2 1 316.405 -0.905 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001321097911 806571696 /nfs/dbraw/zinc/57/16/96/806571696.db2.gz RIACEBVFRUPFIG-BWPKMQGJSA-N 2 1 318.421 -0.375 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NC1CC1 ZINC001321097911 806571702 /nfs/dbraw/zinc/57/17/02/806571702.db2.gz RIACEBVFRUPFIG-BWPKMQGJSA-N 2 1 318.421 -0.375 20 30 DBEDMP N#Cc1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cn1 ZINC000872145957 806646470 /nfs/dbraw/zinc/64/64/70/806646470.db2.gz AIYVXLFGYLYELF-UHFFFAOYSA-N 2 1 300.410 -0.020 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298713 806731447 /nfs/dbraw/zinc/73/14/47/806731447.db2.gz NGTUEAKSHDGADH-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001322298713 806731452 /nfs/dbraw/zinc/73/14/52/806731452.db2.gz NGTUEAKSHDGADH-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)N1CC[NH+](C)CC1 ZINC000876720956 806800875 /nfs/dbraw/zinc/80/08/75/806800875.db2.gz DQCDEZSKLUBDMA-NSHDSACASA-N 2 1 302.806 -0.263 20 30 DBEDMP C=CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001323109894 806825602 /nfs/dbraw/zinc/82/56/02/806825602.db2.gz USWFDVDWSJUPNG-KBPBESRZSA-N 2 1 308.426 -0.275 20 30 DBEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001324707140 807001145 /nfs/dbraw/zinc/00/11/45/807001145.db2.gz ONVZKRWVYKIAKI-WBVHZDCISA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001324707140 807001150 /nfs/dbraw/zinc/00/11/50/807001150.db2.gz ONVZKRWVYKIAKI-WBVHZDCISA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)c1cnn(-c2cc[nH+]cc2)c1 ZINC001278178140 803764683 /nfs/dbraw/zinc/76/46/83/803764683.db2.gz BWJHQTYSSQDNKB-AWEZNQCLSA-N 2 1 313.361 -0.029 20 30 DBEDMP COCC#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[NH+]2CCOCC2)C1 ZINC001278402471 803789000 /nfs/dbraw/zinc/78/90/00/803789000.db2.gz APJVWQNBTQNKKM-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCN1CCN(C(C)=O)CC1 ZINC000303878269 803835750 /nfs/dbraw/zinc/83/57/50/803835750.db2.gz FWOYHBIQCLYUOV-OAHLLOKOSA-N 2 1 324.473 -0.461 20 30 DBEDMP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@@H+](CC#CCOC)C1)[NH+](C)C ZINC001278815706 803836010 /nfs/dbraw/zinc/83/60/10/803836010.db2.gz HNEGUDYQICCXGI-HOCLYGCPSA-N 2 1 311.426 -0.471 20 30 DBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCOC[C@@H]1CCCO1 ZINC000304750069 803837665 /nfs/dbraw/zinc/83/76/65/803837665.db2.gz ICHSNYDPFBLQPS-AWEZNQCLSA-N 2 1 314.430 -0.191 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)C[N@H+](C)CCC)C[C@@H]1C ZINC001279179836 803874670 /nfs/dbraw/zinc/87/46/70/803874670.db2.gz AMASNEPMSXAXDL-GJZGRUSLSA-N 2 1 322.453 -0.238 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOCC)C1 ZINC001280598669 803987626 /nfs/dbraw/zinc/98/76/26/803987626.db2.gz ZHWWTAUFPTVSKH-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H](C[NH2+]CCOCC)C1 ZINC001280598669 803987632 /nfs/dbraw/zinc/98/76/32/803987632.db2.gz ZHWWTAUFPTVSKH-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001281193442 804118605 /nfs/dbraw/zinc/11/86/05/804118605.db2.gz SPEWRTCLQIFLHH-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001281193442 804118607 /nfs/dbraw/zinc/11/86/07/804118607.db2.gz SPEWRTCLQIFLHH-DOTOQJQBSA-N 2 1 323.437 -0.327 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001282231049 804264543 /nfs/dbraw/zinc/26/45/43/804264543.db2.gz TWNZNECXJRCLBM-VXGBXAGGSA-N 2 1 307.398 -0.023 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CC(=O)NCC#N ZINC001282392242 804272249 /nfs/dbraw/zinc/27/22/49/804272249.db2.gz YBYZAIDMTXZWSC-GXTWGEPZSA-N 2 1 321.425 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@@H+](C)CC(=O)NCC#N ZINC001282392242 804272256 /nfs/dbraw/zinc/27/22/56/804272256.db2.gz YBYZAIDMTXZWSC-GXTWGEPZSA-N 2 1 321.425 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001282398349 804274227 /nfs/dbraw/zinc/27/42/27/804274227.db2.gz MHBGJGUMXPTCQH-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001282398349 804274237 /nfs/dbraw/zinc/27/42/37/804274237.db2.gz MHBGJGUMXPTCQH-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001282398349 804274244 /nfs/dbraw/zinc/27/42/44/804274244.db2.gz MHBGJGUMXPTCQH-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001282398349 804274254 /nfs/dbraw/zinc/27/42/54/804274254.db2.gz MHBGJGUMXPTCQH-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@H+]1C)C(C)C ZINC001283452085 804507167 /nfs/dbraw/zinc/50/71/67/804507167.db2.gz DETURAIHBHYQON-HUUCEWRRSA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CCC[NH2+][C@H](CO)CNC(=O)[C@H]1CCn2c(C)[nH+]cc2C1 ZINC001283804826 804577393 /nfs/dbraw/zinc/57/73/93/804577393.db2.gz OIEHCXXCKCUYBA-KBPBESRZSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CC[NH2+]C[C@@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001284449045 804709829 /nfs/dbraw/zinc/70/98/29/804709829.db2.gz ZHLLRPUFCYCVKR-UKRRQHHQSA-N 2 1 304.394 -0.204 20 30 DBEDMP C#CC[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1CCn2c(C)[nH+]cc2C1 ZINC001284449044 804709865 /nfs/dbraw/zinc/70/98/65/804709865.db2.gz ZHLLRPUFCYCVKR-HIFRSBDPSA-N 2 1 304.394 -0.204 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001284916616 804798056 /nfs/dbraw/zinc/79/80/56/804798056.db2.gz YNQXBHHUULMGBS-HNNXBMFYSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[N@H+](C)C(C)C)C1 ZINC001284916616 804798062 /nfs/dbraw/zinc/79/80/62/804798062.db2.gz YNQXBHHUULMGBS-HNNXBMFYSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001284916616 804798068 /nfs/dbraw/zinc/79/80/68/804798068.db2.gz YNQXBHHUULMGBS-HNNXBMFYSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)C[NH+](C)C(C)C)C1 ZINC001284916616 804798074 /nfs/dbraw/zinc/79/80/74/804798074.db2.gz YNQXBHHUULMGBS-HNNXBMFYSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001284976975 804815025 /nfs/dbraw/zinc/81/50/25/804815025.db2.gz PGPHHQVTBJFGDF-HNNXBMFYSA-N 2 1 320.437 -0.176 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000826867190 805321901 /nfs/dbraw/zinc/32/19/01/805321901.db2.gz IKDBTSHTLGVZBL-CQSZACIVSA-N 2 1 323.441 -0.297 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001292916525 805357289 /nfs/dbraw/zinc/35/72/89/805357289.db2.gz RBMSAUALPXJFNS-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001292916525 805357297 /nfs/dbraw/zinc/35/72/97/805357297.db2.gz RBMSAUALPXJFNS-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001292916525 805357307 /nfs/dbraw/zinc/35/73/07/805357307.db2.gz RBMSAUALPXJFNS-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001292916525 805357314 /nfs/dbraw/zinc/35/73/14/805357314.db2.gz RBMSAUALPXJFNS-GJZGRUSLSA-N 2 1 320.437 -0.199 20 30 DBEDMP COCC[NH+]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)CC1 ZINC000884182900 807039300 /nfs/dbraw/zinc/03/93/00/807039300.db2.gz XIFAZGKNRZNOSC-BBBYJDLNSA-N 2 1 306.410 -0.084 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001325580418 807082404 /nfs/dbraw/zinc/08/24/04/807082404.db2.gz GGAAWOWBRGFNLU-KBPBESRZSA-N 2 1 323.441 -0.348 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001327163575 807245459 /nfs/dbraw/zinc/24/54/59/807245459.db2.gz OXVXZHVNKOYYJN-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@H]1CCC[NH+](CC(=O)NCC#N)CC1 ZINC001327163575 807245463 /nfs/dbraw/zinc/24/54/63/807245463.db2.gz OXVXZHVNKOYYJN-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC001327163575 807245468 /nfs/dbraw/zinc/24/54/68/807245468.db2.gz OXVXZHVNKOYYJN-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCC#N)CC1 ZINC001327163575 807245473 /nfs/dbraw/zinc/24/54/73/807245473.db2.gz OXVXZHVNKOYYJN-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)C1=O ZINC000903492627 807391228 /nfs/dbraw/zinc/39/12/28/807391228.db2.gz IAOOICDTFITCQO-VLXAULBPSA-N 2 1 307.394 -0.014 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001328840881 807476010 /nfs/dbraw/zinc/47/60/10/807476010.db2.gz FMIADRNLZINRIB-JXQTWKCFSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001328840881 807476016 /nfs/dbraw/zinc/47/60/16/807476016.db2.gz FMIADRNLZINRIB-JXQTWKCFSA-N 2 1 324.425 -0.896 20 30 DBEDMP C#CC[N@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575576 807681386 /nfs/dbraw/zinc/68/13/86/807681386.db2.gz JAMOZPZPMDEVLM-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)C1 ZINC000923575576 807681389 /nfs/dbraw/zinc/68/13/89/807681389.db2.gz JAMOZPZPMDEVLM-HUUCEWRRSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH2+][C@H](C)[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)CCO1 ZINC001330429490 807712422 /nfs/dbraw/zinc/71/24/22/807712422.db2.gz OZJLEIHLCRDHDG-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001331473578 807793730 /nfs/dbraw/zinc/79/37/30/807793730.db2.gz GUJYZKIUZLJMNV-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)N(C)C ZINC001331473578 807793732 /nfs/dbraw/zinc/79/37/32/807793732.db2.gz GUJYZKIUZLJMNV-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP COCC#CC[NH2+][C@H](CO)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001331788966 807833599 /nfs/dbraw/zinc/83/35/99/807833599.db2.gz DKCIGXBTGCTUOJ-AWEZNQCLSA-N 2 1 322.409 -0.277 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2c[nH+]cc2C)C1 ZINC001332011137 807861416 /nfs/dbraw/zinc/86/14/16/807861416.db2.gz ZEQFNZXHYDXTRW-TZMCWYRMSA-N 2 1 317.393 -0.480 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@@H]1C ZINC001332051681 807866768 /nfs/dbraw/zinc/86/67/68/807866768.db2.gz UCIFQOSHDUAAAS-QWHCGFSZSA-N 2 1 309.414 -0.453 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001332051679 807867176 /nfs/dbraw/zinc/86/71/76/807867176.db2.gz UCIFQOSHDUAAAS-CHWSQXEVSA-N 2 1 309.414 -0.453 20 30 DBEDMP C=CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC001332676820 807964707 /nfs/dbraw/zinc/96/47/07/807964707.db2.gz FHZOEAKLJVVTHI-GJZGRUSLSA-N 2 1 313.442 -0.108 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC#CC)C[C@@H]2O)CC1 ZINC000958723754 810012149 /nfs/dbraw/zinc/01/21/49/810012149.db2.gz JMKNVLPEXYHAIH-SJORKVTESA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC#CC)C[C@@H]2O)CC1 ZINC000958723753 810012309 /nfs/dbraw/zinc/01/23/09/810012309.db2.gz JMKNVLPEXYHAIH-IRXDYDNUSA-N 2 1 317.433 -0.236 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](C[C@@H](C)O)C[C@H]32)CC1 ZINC000962779010 810580120 /nfs/dbraw/zinc/58/01/20/810580120.db2.gz RHRTVKLDDBMZQX-OJLVUWQFSA-N 2 1 305.422 -0.241 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000968954768 811520594 /nfs/dbraw/zinc/52/05/94/811520594.db2.gz QEABYCGYEKVEIF-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H]2CCCNC2=O)C1 ZINC000968954768 811520598 /nfs/dbraw/zinc/52/05/98/811520598.db2.gz QEABYCGYEKVEIF-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001016336614 813652813 /nfs/dbraw/zinc/65/28/13/813652813.db2.gz MQUMGTKHSKRQBL-HIFRSBDPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+]([C@H](C)C(=O)NC)C2)CC1 ZINC001016336614 813652817 /nfs/dbraw/zinc/65/28/17/813652817.db2.gz MQUMGTKHSKRQBL-HIFRSBDPSA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001016335883 813653224 /nfs/dbraw/zinc/65/32/24/813653224.db2.gz HAJCIDVXGGGNGA-CABCVRRESA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+]([C@@H](CC)C(N)=O)C2)CC1 ZINC001016335883 813653227 /nfs/dbraw/zinc/65/32/27/813653227.db2.gz HAJCIDVXGGGNGA-CABCVRRESA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020250309 814335708 /nfs/dbraw/zinc/33/57/08/814335708.db2.gz AVSBJJCQNKMEAM-KKUMJFAQSA-N 2 1 316.409 -0.388 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCn2cncn2)C1 ZINC001020250309 814335718 /nfs/dbraw/zinc/33/57/18/814335718.db2.gz AVSBJJCQNKMEAM-KKUMJFAQSA-N 2 1 316.409 -0.388 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001033683116 814571407 /nfs/dbraw/zinc/57/14/07/814571407.db2.gz DVKBALYGNFEGQP-HIFRSBDPSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001033683116 814571410 /nfs/dbraw/zinc/57/14/10/814571410.db2.gz DVKBALYGNFEGQP-HIFRSBDPSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001033683117 814572126 /nfs/dbraw/zinc/57/21/26/814572126.db2.gz DVKBALYGNFEGQP-UKRRQHHQSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+]([C@H](C)C(N)=O)C2)CC1 ZINC001033683117 814572130 /nfs/dbraw/zinc/57/21/30/814572130.db2.gz DVKBALYGNFEGQP-UKRRQHHQSA-N 2 1 320.437 -0.262 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034663988 814711682 /nfs/dbraw/zinc/71/16/82/814711682.db2.gz PWLFOYCBJDCJCN-TUVASFSCSA-N 2 1 320.437 -0.025 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034663988 814711687 /nfs/dbraw/zinc/71/16/87/814711687.db2.gz PWLFOYCBJDCJCN-TUVASFSCSA-N 2 1 320.437 -0.025 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001034962304 814755949 /nfs/dbraw/zinc/75/59/49/814755949.db2.gz IBTMHKPIHCRIRR-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@H]1CCNC1=O ZINC001034962304 814755959 /nfs/dbraw/zinc/75/59/59/814755959.db2.gz IBTMHKPIHCRIRR-ILXRZTDVSA-N 2 1 318.421 -0.447 20 30 DBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010759 816718201 /nfs/dbraw/zinc/71/82/01/816718201.db2.gz UHMLBPIQEKVMBR-CVEARBPZSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010759 816718208 /nfs/dbraw/zinc/71/82/08/816718208.db2.gz UHMLBPIQEKVMBR-CVEARBPZSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001046010759 816718215 /nfs/dbraw/zinc/71/82/15/816718215.db2.gz UHMLBPIQEKVMBR-CVEARBPZSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001046010761 816719305 /nfs/dbraw/zinc/71/93/05/816719305.db2.gz UHMLBPIQEKVMBR-HZPDHXFCSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010761 816719308 /nfs/dbraw/zinc/71/93/08/816719308.db2.gz UHMLBPIQEKVMBR-HZPDHXFCSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001046010761 816719312 /nfs/dbraw/zinc/71/93/12/816719312.db2.gz UHMLBPIQEKVMBR-HZPDHXFCSA-N 2 1 304.438 -0.068 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001047633914 817243874 /nfs/dbraw/zinc/24/38/74/817243874.db2.gz RKKRELMZMKWECU-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[NH+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001047633914 817243879 /nfs/dbraw/zinc/24/38/79/817243879.db2.gz RKKRELMZMKWECU-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047633914 817243885 /nfs/dbraw/zinc/24/38/85/817243885.db2.gz RKKRELMZMKWECU-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C=CCC[N@H+]1C[C@H](O)[C@@H](N(C)C(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001047633914 817243891 /nfs/dbraw/zinc/24/38/91/817243891.db2.gz RKKRELMZMKWECU-SOUVJXGZSA-N 2 1 311.426 -0.213 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2C[N@@H+](C[C@H](C)O)C[C@@H]2O)CC1 ZINC001047638101 817247799 /nfs/dbraw/zinc/24/77/99/817247799.db2.gz BOUKMGBBILWURH-BPUTZDHNSA-N 2 1 323.437 -0.784 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158965 820410431 /nfs/dbraw/zinc/41/04/31/820410431.db2.gz ZCKLKLWXGRFQHO-MCIONIFRSA-N 2 1 304.398 -0.100 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@H+](CCCO)CCCO1 ZINC001073639084 821192163 /nfs/dbraw/zinc/19/21/63/821192163.db2.gz AKDMABDTBLYMRU-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1C[N@@H+](CCCO)CCCO1 ZINC001073639084 821192169 /nfs/dbraw/zinc/19/21/69/821192169.db2.gz AKDMABDTBLYMRU-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073639084 821192174 /nfs/dbraw/zinc/19/21/74/821192174.db2.gz AKDMABDTBLYMRU-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](CCCO)CCCO1 ZINC001073639084 821192180 /nfs/dbraw/zinc/19/21/80/821192180.db2.gz AKDMABDTBLYMRU-HOTGVXAUSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001073660355 821200709 /nfs/dbraw/zinc/20/07/09/821200709.db2.gz BMPYQXSKVHYKPT-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[NH+]1CCCO[C@@H](CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001073660355 821200719 /nfs/dbraw/zinc/20/07/19/821200719.db2.gz BMPYQXSKVHYKPT-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660355 821200724 /nfs/dbraw/zinc/20/07/24/821200724.db2.gz BMPYQXSKVHYKPT-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001073660355 821200734 /nfs/dbraw/zinc/20/07/34/821200734.db2.gz BMPYQXSKVHYKPT-OWCLPIDISA-N 2 1 323.437 -0.064 20 30 DBEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001273936461 832989621 /nfs/dbraw/zinc/98/96/21/832989621.db2.gz OGNCZVMHJZVREX-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@]1(CO)CCCN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001273936461 832989627 /nfs/dbraw/zinc/98/96/27/832989627.db2.gz OGNCZVMHJZVREX-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014110 821968231 /nfs/dbraw/zinc/96/82/31/821968231.db2.gz CZWGYNHLZIWRTB-HUUCEWRRSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418510 822106670 /nfs/dbraw/zinc/10/66/70/822106670.db2.gz SBNQDGIUGYYBLD-QJNCVLDKSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418510 822106674 /nfs/dbraw/zinc/10/66/74/822106674.db2.gz SBNQDGIUGYYBLD-QJNCVLDKSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418510 822106680 /nfs/dbraw/zinc/10/66/80/822106680.db2.gz SBNQDGIUGYYBLD-QJNCVLDKSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[NH+](C[C@H](O)COC)CC2)CC1 ZINC001113677854 828537677 /nfs/dbraw/zinc/53/76/77/828537677.db2.gz UFGLIZQEXHFOJJ-INIZCTEOSA-N 2 1 323.437 -0.517 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654363 824713112 /nfs/dbraw/zinc/71/31/12/824713112.db2.gz KNJKCFTWCYCTNK-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654363 824713115 /nfs/dbraw/zinc/71/31/15/824713115.db2.gz KNJKCFTWCYCTNK-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654363 824713121 /nfs/dbraw/zinc/71/31/21/824713121.db2.gz KNJKCFTWCYCTNK-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C=C(C)C[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083654363 824713124 /nfs/dbraw/zinc/71/31/24/824713124.db2.gz KNJKCFTWCYCTNK-WCCAFZKYSA-N 2 1 321.421 -0.413 20 30 DBEDMP C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405685 828688934 /nfs/dbraw/zinc/68/89/34/828688934.db2.gz YHVNSGWDTJWZAZ-QXSJWSMHSA-N 2 1 315.421 -0.117 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405685 828688938 /nfs/dbraw/zinc/68/89/38/828688938.db2.gz YHVNSGWDTJWZAZ-QXSJWSMHSA-N 2 1 315.421 -0.117 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](C[C@H](O)COC)C[C@H]21 ZINC001114420238 828690605 /nfs/dbraw/zinc/69/06/05/828690605.db2.gz FLOJEAHAICOOLA-ARKGTOAJSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](C[C@H](O)COC)C[C@H]21 ZINC001114420238 828690607 /nfs/dbraw/zinc/69/06/07/828690607.db2.gz FLOJEAHAICOOLA-ARKGTOAJSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001114420238 828690610 /nfs/dbraw/zinc/69/06/10/828690610.db2.gz FLOJEAHAICOOLA-ARKGTOAJSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](C[C@H](O)COC)C[C@H]21 ZINC001114420238 828690612 /nfs/dbraw/zinc/69/06/12/828690612.db2.gz FLOJEAHAICOOLA-ARKGTOAJSA-N 2 1 321.421 -0.862 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOC)C[C@@H]2O)CC1 ZINC001084087993 824886463 /nfs/dbraw/zinc/88/64/63/824886463.db2.gz KUQISFHHIMVALK-CABCVRRESA-N 2 1 309.410 -0.861 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CCO)C[C@H]32)CC1 ZINC001084850334 824985771 /nfs/dbraw/zinc/98/57/71/824985771.db2.gz WSRCORREAOVANL-HZPDHXFCSA-N 2 1 305.422 -0.143 20 30 DBEDMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114743331 828734914 /nfs/dbraw/zinc/73/49/14/828734914.db2.gz HBQQVYYUKAWDFS-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114743331 828734918 /nfs/dbraw/zinc/73/49/18/828734918.db2.gz HBQQVYYUKAWDFS-JYAVWHMHSA-N 2 1 307.398 -0.986 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086110097 825178835 /nfs/dbraw/zinc/17/88/35/825178835.db2.gz SXPNNHAWVHKCGH-MQYQWHSLSA-N 2 1 306.410 -0.558 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001086110097 825178840 /nfs/dbraw/zinc/17/88/40/825178840.db2.gz SXPNNHAWVHKCGH-MQYQWHSLSA-N 2 1 306.410 -0.558 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114832142 828749492 /nfs/dbraw/zinc/74/94/92/828749492.db2.gz MDALRNLYFWXFOY-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114832142 828749497 /nfs/dbraw/zinc/74/94/97/828749497.db2.gz MDALRNLYFWXFOY-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832142 828749501 /nfs/dbraw/zinc/74/95/01/828749501.db2.gz MDALRNLYFWXFOY-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114832142 828749508 /nfs/dbraw/zinc/74/95/08/828749508.db2.gz MDALRNLYFWXFOY-SZOQZIPDSA-N 2 1 320.437 -0.323 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980431 828768350 /nfs/dbraw/zinc/76/83/50/828768350.db2.gz RAFNPEBTCYOTHD-QLPKVWCKSA-N 2 1 323.437 -0.042 20 30 DBEDMP C=CCOCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114980431 828768356 /nfs/dbraw/zinc/76/83/56/828768356.db2.gz RAFNPEBTCYOTHD-QLPKVWCKSA-N 2 1 323.437 -0.042 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](CCO)CC[C@@H]2C1 ZINC001087998149 825386296 /nfs/dbraw/zinc/38/62/96/825386296.db2.gz UAWANAMAJWYCOC-PMPSAXMXSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCO)CC[C@@H]2C1 ZINC001087998149 825386305 /nfs/dbraw/zinc/38/63/05/825386305.db2.gz UAWANAMAJWYCOC-PMPSAXMXSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087998149 825386315 /nfs/dbraw/zinc/38/63/15/825386315.db2.gz UAWANAMAJWYCOC-PMPSAXMXSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCO)CC[C@@H]2C1 ZINC001087998149 825386324 /nfs/dbraw/zinc/38/63/24/825386324.db2.gz UAWANAMAJWYCOC-PMPSAXMXSA-N 2 1 305.422 -0.143 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115080778 828784278 /nfs/dbraw/zinc/78/42/78/828784278.db2.gz DSFHMOWCHIMWSN-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080778 828784282 /nfs/dbraw/zinc/78/42/82/828784282.db2.gz DSFHMOWCHIMWSN-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080778 828784284 /nfs/dbraw/zinc/78/42/84/828784284.db2.gz DSFHMOWCHIMWSN-NYTXWWLZSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+](C)CCC ZINC001115159175 828795213 /nfs/dbraw/zinc/79/52/13/828795213.db2.gz FSVFFYIJJKTGJK-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+](C)CCC ZINC001115159175 828795217 /nfs/dbraw/zinc/79/52/17/828795217.db2.gz FSVFFYIJJKTGJK-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115159175 828795223 /nfs/dbraw/zinc/79/52/23/828795223.db2.gz FSVFFYIJJKTGJK-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](C)CCC ZINC001115159175 828795227 /nfs/dbraw/zinc/79/52/27/828795227.db2.gz FSVFFYIJJKTGJK-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001274268049 833053874 /nfs/dbraw/zinc/05/38/74/833053874.db2.gz DQRLNOHVYMZYSM-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)C1 ZINC001274371586 833069124 /nfs/dbraw/zinc/06/91/24/833069124.db2.gz XTGCGXYYQZMZCJ-XQJDBVBESA-N 2 1 307.398 -0.770 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001274579248 833104191 /nfs/dbraw/zinc/10/41/91/833104191.db2.gz TWMJTUFWFSQGFR-BUHQSOCUSA-N 2 1 308.426 -0.109 20 30 DBEDMP C#CCC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001274565193 833100171 /nfs/dbraw/zinc/10/01/71/833100171.db2.gz JPTVCVHHEKJNPX-UHFFFAOYSA-N 2 1 323.437 -0.325 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100049282 826796020 /nfs/dbraw/zinc/79/60/20/826796020.db2.gz ZWOYYEAPKNQCTR-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100049282 826796022 /nfs/dbraw/zinc/79/60/22/826796022.db2.gz ZWOYYEAPKNQCTR-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100063702 826810507 /nfs/dbraw/zinc/81/05/07/826810507.db2.gz BOTWKBUUHYEWGO-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@@H]1O ZINC001100063702 826810520 /nfs/dbraw/zinc/81/05/20/826810520.db2.gz BOTWKBUUHYEWGO-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@@H]1O ZINC001100063702 826810532 /nfs/dbraw/zinc/81/05/32/826810532.db2.gz BOTWKBUUHYEWGO-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP CC[NH+](C)CCC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@@H]1O ZINC001100063702 826810542 /nfs/dbraw/zinc/81/05/42/826810542.db2.gz BOTWKBUUHYEWGO-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074420 826825662 /nfs/dbraw/zinc/82/56/62/826825662.db2.gz NHAYENJLWRTISJ-GJZGRUSLSA-N 2 1 321.421 -0.717 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](O)C1 ZINC001100074420 826825670 /nfs/dbraw/zinc/82/56/70/826825670.db2.gz NHAYENJLWRTISJ-GJZGRUSLSA-N 2 1 321.421 -0.717 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100082902 826839775 /nfs/dbraw/zinc/83/97/75/826839775.db2.gz JUCQZRPERLFINQ-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC#CCOC)C[C@H]1O ZINC001100082902 826839789 /nfs/dbraw/zinc/83/97/89/826839789.db2.gz JUCQZRPERLFINQ-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC#CCOC)C[C@H]1O ZINC001100082902 826839800 /nfs/dbraw/zinc/83/98/00/826839800.db2.gz JUCQZRPERLFINQ-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC#CCOC)C[C@H]1O ZINC001100082902 826839813 /nfs/dbraw/zinc/83/98/13/826839813.db2.gz JUCQZRPERLFINQ-HUUCEWRRSA-N 2 1 311.426 -0.471 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001100212233 826911786 /nfs/dbraw/zinc/91/17/86/826911786.db2.gz UFTXBFZSKRUGDN-RUXDESIVSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001100212233 826911790 /nfs/dbraw/zinc/91/17/90/826911790.db2.gz UFTXBFZSKRUGDN-RUXDESIVSA-N 2 1 324.425 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[N@H+](C)CC)C1 ZINC001100829927 827031658 /nfs/dbraw/zinc/03/16/58/827031658.db2.gz SIYVCMAULUTGTD-UHFFFAOYSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)C[N@H+](C)CCC)C1 ZINC001100904936 827042766 /nfs/dbraw/zinc/04/27/66/827042766.db2.gz OHZLAJJJPAIYCU-WLYUNCDWSA-N 2 1 322.453 -0.050 20 30 DBEDMP C=CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001100982524 827058564 /nfs/dbraw/zinc/05/85/64/827058564.db2.gz YEDBDCRVAZJMRZ-MOKVOYLWSA-N 2 1 308.426 -0.275 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001275094102 833151084 /nfs/dbraw/zinc/15/10/84/833151084.db2.gz LVDBVUGPFCBNTN-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001275094102 833151090 /nfs/dbraw/zinc/15/10/90/833151090.db2.gz LVDBVUGPFCBNTN-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001275094102 833151094 /nfs/dbraw/zinc/15/10/94/833151094.db2.gz LVDBVUGPFCBNTN-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP C[NH+](CC(=O)NCC#N)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001275094102 833151099 /nfs/dbraw/zinc/15/10/99/833151099.db2.gz LVDBVUGPFCBNTN-KBPBESRZSA-N 2 1 321.425 -0.357 20 30 DBEDMP CCC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001275173271 833155656 /nfs/dbraw/zinc/15/56/56/833155656.db2.gz DAFCUWRLIQZDSR-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001275284604 833167311 /nfs/dbraw/zinc/16/73/11/833167311.db2.gz NHZMTFZBOOTYDI-WLYUNCDWSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)Cc2cnc[nH]2)C1 ZINC001275289983 833168134 /nfs/dbraw/zinc/16/81/34/833168134.db2.gz SBPRCZQFKJFVMT-UHFFFAOYSA-N 2 1 303.366 -0.814 20 30 DBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC001105372367 827441050 /nfs/dbraw/zinc/44/10/50/827441050.db2.gz BTRLOYSFXDQWFI-ZDUSSCGKSA-N 2 1 316.409 -0.274 20 30 DBEDMP COCC#CC[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC001164538407 833218014 /nfs/dbraw/zinc/21/80/14/833218014.db2.gz GOXHJQWMFLKLAW-HNNXBMFYSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001107039494 827695043 /nfs/dbraw/zinc/69/50/43/827695043.db2.gz UMAGKNRTNWQYPQ-HUUCEWRRSA-N 2 1 322.453 -0.240 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC ZINC001276052152 833239527 /nfs/dbraw/zinc/23/95/27/833239527.db2.gz HVVINJLTKHQMBY-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NCC ZINC001276052152 833239533 /nfs/dbraw/zinc/23/95/33/833239533.db2.gz HVVINJLTKHQMBY-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCC[N@@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342922 827952301 /nfs/dbraw/zinc/95/23/01/827952301.db2.gz KRDKQLVWAOZGSY-INIZCTEOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCC[N@H+]1CCO[C@@](C)(CNC(=O)COCC[NH+](C)C)C1 ZINC001108342922 827952307 /nfs/dbraw/zinc/95/23/07/827952307.db2.gz KRDKQLVWAOZGSY-INIZCTEOSA-N 2 1 311.426 -0.205 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CCC[C@H]1C ZINC001166626875 833276669 /nfs/dbraw/zinc/27/66/69/833276669.db2.gz LIZCLIXSORBKEW-KGLIPLIRSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001166677776 833277607 /nfs/dbraw/zinc/27/76/07/833277607.db2.gz MWFXIAKJIGLPBM-KGLIPLIRSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672705 828129820 /nfs/dbraw/zinc/12/98/20/828129820.db2.gz QGLKYGPQLIQHCM-KBXIAJHMSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)CC[NH+](C)C)C2 ZINC001109672705 828129826 /nfs/dbraw/zinc/12/98/26/828129826.db2.gz QGLKYGPQLIQHCM-KBXIAJHMSA-N 2 1 320.437 -0.203 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001171226669 833367879 /nfs/dbraw/zinc/36/78/79/833367879.db2.gz JCHDTTJAONNQQP-KGLIPLIRSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171307400 833368831 /nfs/dbraw/zinc/36/88/31/833368831.db2.gz IOOZPIJYTGOVPO-KBPBESRZSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCCC[NH2+]CC(N)=O ZINC001171307400 833368833 /nfs/dbraw/zinc/36/88/33/833368833.db2.gz IOOZPIJYTGOVPO-KBPBESRZSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@H+](CCC(=O)NC)C1CCN(CCC(=O)NC)CC1 ZINC001119265446 829243796 /nfs/dbraw/zinc/24/37/96/829243796.db2.gz DPBWXTDQFVOGLR-UHFFFAOYSA-N 2 1 308.426 -0.342 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCCNC(=O)[C@@H]2CC[N@H+](C)C2)C1=O ZINC001176057059 833399544 /nfs/dbraw/zinc/39/95/44/833399544.db2.gz MLZDNGBJGBTTPI-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256643 829995833 /nfs/dbraw/zinc/99/58/33/829995833.db2.gz QGQOSMTUIISXFX-QWHCGFSZSA-N 2 1 307.398 -0.794 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001127256639 829996261 /nfs/dbraw/zinc/99/62/61/829996261.db2.gz QGQOSMTUIISXFX-CHWSQXEVSA-N 2 1 307.398 -0.794 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC001127679068 830022911 /nfs/dbraw/zinc/02/29/11/830022911.db2.gz GWEMQYDVMUSYLE-ZDUSSCGKSA-N 2 1 319.409 -0.148 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001128787310 830129774 /nfs/dbraw/zinc/12/97/74/830129774.db2.gz ZFBQHJZVPSESDC-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001129327786 830172433 /nfs/dbraw/zinc/17/24/33/830172433.db2.gz IXOZGENPXUOETA-AWEZNQCLSA-N 2 1 308.426 -0.581 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC001129417807 830178731 /nfs/dbraw/zinc/17/87/31/830178731.db2.gz PGLYCVKEXJYMHA-NSHDSACASA-N 2 1 304.354 -0.894 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[N@H+](C)C2CCC2)C1=O ZINC001129531967 830187329 /nfs/dbraw/zinc/18/73/29/830187329.db2.gz ODEMAUQIRFRZAO-AWEZNQCLSA-N 2 1 308.426 -0.037 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)C[C@@H]1n1ccnn1 ZINC001129686095 830201548 /nfs/dbraw/zinc/20/15/48/830201548.db2.gz WSAQCTSYUDFEEU-ILXRZTDVSA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001129770339 830207929 /nfs/dbraw/zinc/20/79/29/830207929.db2.gz DOLYMKVHOPZNQO-CABCVRRESA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H]1CCNC(=O)CC1 ZINC001129770339 830207933 /nfs/dbraw/zinc/20/79/33/830207933.db2.gz DOLYMKVHOPZNQO-CABCVRRESA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001129770463 830209093 /nfs/dbraw/zinc/20/90/93/830209093.db2.gz GLZXTHSHPXEZIO-AWEZNQCLSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNC(=O)C1CC1 ZINC001129770463 830209096 /nfs/dbraw/zinc/20/90/96/830209096.db2.gz GLZXTHSHPXEZIO-AWEZNQCLSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001129775192 830209411 /nfs/dbraw/zinc/20/94/11/830209411.db2.gz JWKWUCSHXXITDT-HNNXBMFYSA-N 2 1 316.405 -0.311 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1ccn(C)c(=O)c1 ZINC001129775192 830209413 /nfs/dbraw/zinc/20/94/13/830209413.db2.gz JWKWUCSHXXITDT-HNNXBMFYSA-N 2 1 316.405 -0.311 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O ZINC001129771288 830209702 /nfs/dbraw/zinc/20/97/02/830209702.db2.gz UTSWFKYNLNMVRV-KBPBESRZSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](CCCC)C(N)=O ZINC001129771288 830209695 /nfs/dbraw/zinc/20/96/95/830209695.db2.gz UTSWFKYNLNMVRV-KBPBESRZSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001129791089 830210935 /nfs/dbraw/zinc/21/09/35/830210935.db2.gz RFYRUFKIYYVQGD-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1CCCC1=O ZINC001129791089 830210942 /nfs/dbraw/zinc/21/09/42/830210942.db2.gz RFYRUFKIYYVQGD-HNNXBMFYSA-N 2 1 320.437 -0.198 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001129791120 830211434 /nfs/dbraw/zinc/21/14/34/830211434.db2.gz SUESZIHZRHMVPH-OCCSQVGLSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)C(=O)NC1CC1 ZINC001129791120 830211441 /nfs/dbraw/zinc/21/14/41/830211441.db2.gz SUESZIHZRHMVPH-OCCSQVGLSA-N 2 1 306.410 -0.543 20 30 DBEDMP CC#CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)C[C@@H]1n1ccnn1 ZINC001130075293 830259339 /nfs/dbraw/zinc/25/93/39/830259339.db2.gz QFTBYJXXYIGANN-CABCVRRESA-N 2 1 318.425 -0.015 20 30 DBEDMP C[N@@H+](C1CCCC1)C(C)(C)C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001130614767 830349567 /nfs/dbraw/zinc/34/95/67/830349567.db2.gz CXRNUQWZSHMCGY-UHFFFAOYSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[N@@H+]1CC[C@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@@H](C)O2 ZINC001131692783 830509870 /nfs/dbraw/zinc/50/98/70/830509870.db2.gz KQYZZPNSDLSMQA-WBVHZDCISA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CC[N@@H+]1CC[C@@]2(C1)CN(C(=O)COCC[NH+](C)C)C[C@H](C)O2 ZINC001131692780 830509949 /nfs/dbraw/zinc/50/99/49/830509949.db2.gz KQYZZPNSDLSMQA-DOTOQJQBSA-N 2 1 323.437 -0.110 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001132739570 830688450 /nfs/dbraw/zinc/68/84/50/830688450.db2.gz SFSCLANGWOQEQY-GJZGRUSLSA-N 2 1 322.453 -0.048 20 30 DBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NCC[NH2+]CC(=O)NCC#N)C1 ZINC001132738031 830688599 /nfs/dbraw/zinc/68/85/99/830688599.db2.gz UFVJPEJLDASWBW-CYBMUJFWSA-N 2 1 309.414 -0.546 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001133004938 830731563 /nfs/dbraw/zinc/73/15/63/830731563.db2.gz PPNIUOCNQYLMIM-ZDUSSCGKSA-N 2 1 317.393 -0.791 20 30 DBEDMP Cc1[nH+]cc2n1C[C@H](C(=O)NCC[NH2+]CC(=O)NCC#N)CC2 ZINC001133005185 830731977 /nfs/dbraw/zinc/73/19/77/830731977.db2.gz XYIFHWHHCAXPPT-GFCCVEGCSA-N 2 1 318.381 -0.901 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135093142 831011010 /nfs/dbraw/zinc/01/10/10/831011010.db2.gz ITYIUGGQCGIYBG-QWHCGFSZSA-N 2 1 307.398 -0.651 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[C@H]2CCC[N@H+]21 ZINC001135095653 831011043 /nfs/dbraw/zinc/01/10/43/831011043.db2.gz MYEUARJKBYBGLE-KBPBESRZSA-N 2 1 306.410 -0.542 20 30 DBEDMP C[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147212973 831350051 /nfs/dbraw/zinc/35/00/51/831350051.db2.gz XSJMTVUXZWZFGR-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC#N)C2 ZINC001147212973 831350056 /nfs/dbraw/zinc/35/00/56/831350056.db2.gz XSJMTVUXZWZFGR-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147212973 831350062 /nfs/dbraw/zinc/35/00/62/831350062.db2.gz XSJMTVUXZWZFGR-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP C[NH+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147212973 831350066 /nfs/dbraw/zinc/35/00/66/831350066.db2.gz XSJMTVUXZWZFGR-CYBMUJFWSA-N 2 1 319.409 -0.745 20 30 DBEDMP CC[C@H](C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001147774120 831406921 /nfs/dbraw/zinc/40/69/21/831406921.db2.gz QNMKOIBJQQERJI-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[C@H](C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001147774120 831406925 /nfs/dbraw/zinc/40/69/25/831406925.db2.gz QNMKOIBJQQERJI-CYBMUJFWSA-N 2 1 321.425 -0.499 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCNC(=O)C[C@@H]2CC[N@H+](C)C2)C1=O ZINC001147885294 831414609 /nfs/dbraw/zinc/41/46/09/831414609.db2.gz LNNNDEWVRRCTRW-KBPBESRZSA-N 2 1 308.426 -0.179 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400276 831529245 /nfs/dbraw/zinc/52/92/45/831529245.db2.gz VOJUKBMLSJRISW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149400276 831529248 /nfs/dbraw/zinc/52/92/48/831529248.db2.gz VOJUKBMLSJRISW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149400276 831529256 /nfs/dbraw/zinc/52/92/56/831529256.db2.gz VOJUKBMLSJRISW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149400276 831529263 /nfs/dbraw/zinc/52/92/63/831529263.db2.gz VOJUKBMLSJRISW-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP COCC#CC[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240296 831601414 /nfs/dbraw/zinc/60/14/14/831601414.db2.gz DZVFSMDPKFCGGE-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP COCC#CC[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150240296 831601416 /nfs/dbraw/zinc/60/14/16/831601416.db2.gz DZVFSMDPKFCGGE-HNNXBMFYSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001151049803 831660582 /nfs/dbraw/zinc/66/05/82/831660582.db2.gz ZIQOAIASXXFGJM-CYBMUJFWSA-N 2 1 309.414 -0.594 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2ncnn2CC)CC1 ZINC001152334903 831741899 /nfs/dbraw/zinc/74/18/99/831741899.db2.gz VHFSQKRVTCZGFE-UHFFFAOYSA-N 2 1 318.425 -0.151 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850819 831840053 /nfs/dbraw/zinc/84/00/53/831840053.db2.gz FDIRLTLJDDFAFU-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+](C)C1CCC1 ZINC001153850819 831840059 /nfs/dbraw/zinc/84/00/59/831840059.db2.gz FDIRLTLJDDFAFU-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+](C)C1CCC1 ZINC001153850819 831840063 /nfs/dbraw/zinc/84/00/63/831840063.db2.gz FDIRLTLJDDFAFU-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001153850819 831840068 /nfs/dbraw/zinc/84/00/68/831840068.db2.gz FDIRLTLJDDFAFU-CYBMUJFWSA-N 2 1 323.441 -0.063 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156125093 831969534 /nfs/dbraw/zinc/96/95/34/831969534.db2.gz HKHQBNPUYFOBLA-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156125093 831969538 /nfs/dbraw/zinc/96/95/38/831969538.db2.gz HKHQBNPUYFOBLA-STQMWFEESA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409505 831982970 /nfs/dbraw/zinc/98/29/70/831982970.db2.gz OSYMXPFQYYZWMA-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C12CC[NH+](CC1)C2 ZINC001156409505 831982973 /nfs/dbraw/zinc/98/29/73/831982973.db2.gz OSYMXPFQYYZWMA-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001157886526 832070290 /nfs/dbraw/zinc/07/02/90/832070290.db2.gz IMHWNOWHMBCCIP-CYBMUJFWSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001157887417 832070623 /nfs/dbraw/zinc/07/06/23/832070623.db2.gz VHAQWEUAGKQOQW-CQSZACIVSA-N 2 1 308.426 -0.296 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039752 832085219 /nfs/dbraw/zinc/08/52/19/832085219.db2.gz UBVZBRAYQONALR-ZIAGYGMSSA-N 2 1 321.425 -0.404 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC001158039271 832085670 /nfs/dbraw/zinc/08/56/70/832085670.db2.gz RWSTZUOQJPCCNY-HUUCEWRRSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001158380095 832108023 /nfs/dbraw/zinc/10/80/23/832108023.db2.gz MFENCUCVYXAPKF-MGPQQGTHSA-N 2 1 308.426 -0.440 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001158403350 832108708 /nfs/dbraw/zinc/10/87/08/832108708.db2.gz GCJXAXQXNJZINI-UONOGXRCSA-N 2 1 308.426 -0.438 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269061966 832127870 /nfs/dbraw/zinc/12/78/70/832127870.db2.gz UTEKQDQDNJHJIF-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001269061966 832127875 /nfs/dbraw/zinc/12/78/75/832127875.db2.gz UTEKQDQDNJHJIF-QLFBSQMISA-N 2 1 322.453 -0.099 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001185659568 833804612 /nfs/dbraw/zinc/80/46/12/833804612.db2.gz KPNQURNKGFOIAV-ZIAGYGMSSA-N 2 1 308.426 -0.037 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001185668649 833805405 /nfs/dbraw/zinc/80/54/05/833805405.db2.gz GQFIDKMHJFMRBC-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001185668650 833805921 /nfs/dbraw/zinc/80/59/21/833805921.db2.gz GQFIDKMHJFMRBC-ZIAGYGMSSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269296312 832409883 /nfs/dbraw/zinc/40/98/83/832409883.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269296312 832409884 /nfs/dbraw/zinc/40/98/84/832409884.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001269296312 832409888 /nfs/dbraw/zinc/40/98/88/832409888.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001269296312 832409889 /nfs/dbraw/zinc/40/98/89/832409889.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001269296312 832409890 /nfs/dbraw/zinc/40/98/90/832409890.db2.gz LSMGGRSNPWAZFS-KGLIPLIRSA-N 2 1 306.410 -0.780 20 30 DBEDMP CC[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001269492864 832442200 /nfs/dbraw/zinc/44/22/00/832442200.db2.gz PYEODBYCIFGVHX-OLZOCXBDSA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCOC)C2)CC1 ZINC001271229027 832643221 /nfs/dbraw/zinc/64/32/21/832643221.db2.gz QWPUPJHVZSUFKN-KRWDZBQOSA-N 2 1 323.437 -0.469 20 30 DBEDMP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1 ZINC001271873575 832712216 /nfs/dbraw/zinc/71/22/16/832712216.db2.gz JDEMWJBNIFLAGA-OKILXGFUSA-N 2 1 321.425 -0.642 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001159328641 832805510 /nfs/dbraw/zinc/80/55/10/832805510.db2.gz VABCAKZDYHDTMX-CQSZACIVSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#C[C@](C)([NH3+])C(=O)N1CC[C@@H]2C[N@@H+](CCOC)CCO[C@@H]2C1 ZINC001159634740 832828705 /nfs/dbraw/zinc/82/87/05/832828705.db2.gz CSRMIKSIMOMVMD-FMKPAKJESA-N 2 1 309.410 -0.467 20 30 DBEDMP C[C@@H](CC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001272865546 832844993 /nfs/dbraw/zinc/84/49/93/832844993.db2.gz MFPAOTRDBJJTFE-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1CC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159901433 832856404 /nfs/dbraw/zinc/85/64/04/832856404.db2.gz HIICFQUOWDDCRO-CQSZACIVSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)C[N@@H+](C)C1CCC1 ZINC001160003553 832864930 /nfs/dbraw/zinc/86/49/30/832864930.db2.gz URARYCUFVBVDNE-CYBMUJFWSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001160209465 832883073 /nfs/dbraw/zinc/88/30/73/832883073.db2.gz LSFJVDOVMGALGV-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNC(=O)C1CC1 ZINC001160209465 832883082 /nfs/dbraw/zinc/88/30/82/832883082.db2.gz LSFJVDOVMGALGV-HNNXBMFYSA-N 2 1 320.437 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCOC ZINC001160198287 832883686 /nfs/dbraw/zinc/88/36/86/832883686.db2.gz ZGZZYMYBDCSFAI-HNNXBMFYSA-N 2 1 311.426 -0.157 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCOCCOC ZINC001160198287 832883696 /nfs/dbraw/zinc/88/36/96/832883696.db2.gz ZGZZYMYBDCSFAI-HNNXBMFYSA-N 2 1 311.426 -0.157 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001160209525 832884188 /nfs/dbraw/zinc/88/41/88/832884188.db2.gz OSCMTVXBHPQNIB-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@@H]1CCN(C)C1=O ZINC001160209525 832884198 /nfs/dbraw/zinc/88/41/98/832884198.db2.gz OSCMTVXBHPQNIB-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001160209827 832885316 /nfs/dbraw/zinc/88/53/16/832885316.db2.gz XTOBTDULDLDTDP-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001160209827 832885322 /nfs/dbraw/zinc/88/53/22/832885322.db2.gz XTOBTDULDLDTDP-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001160209619 832885761 /nfs/dbraw/zinc/88/57/61/832885761.db2.gz SMVOZCFRMUFNRW-AWEZNQCLSA-N 2 1 321.425 -0.795 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1CCNC1=O ZINC001160209619 832885773 /nfs/dbraw/zinc/88/57/73/832885773.db2.gz SMVOZCFRMUFNRW-AWEZNQCLSA-N 2 1 321.425 -0.795 20 30 DBEDMP C[N@H+]1CCC[C@@H]1CCC(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001160268072 832889385 /nfs/dbraw/zinc/88/93/85/832889385.db2.gz VHQWKRWTFIPJEO-CYBMUJFWSA-N 2 1 309.414 -0.404 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001160274429 832890038 /nfs/dbraw/zinc/89/00/38/832890038.db2.gz SFYAIJCESBNWHH-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001273275513 832903678 /nfs/dbraw/zinc/90/36/78/832903678.db2.gz CYNUIELMHWSKGP-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]CCCO)C1 ZINC001273275513 832903681 /nfs/dbraw/zinc/90/36/81/832903681.db2.gz CYNUIELMHWSKGP-CABCVRRESA-N 2 1 309.410 -0.717 20 30 DBEDMP N#Cc1ccc(N2CCCN(C(=O)[C@@H]([NH3+])CC[NH3+])CC2)nc1 ZINC001160603151 832924337 /nfs/dbraw/zinc/92/43/37/832924337.db2.gz OSQZYVAJJNFLMO-ZDUSSCGKSA-N 2 1 302.382 -0.332 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001160862703 832954306 /nfs/dbraw/zinc/95/43/06/832954306.db2.gz VRBBADUZPLRCCR-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001160862703 832954308 /nfs/dbraw/zinc/95/43/08/832954308.db2.gz VRBBADUZPLRCCR-CHWSQXEVSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@H+]21 ZINC001160867936 832955493 /nfs/dbraw/zinc/95/54/93/832955493.db2.gz IZYXYKMZYNNOLR-GJZGRUSLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C=C[C@@H](O)C[N@@H+]1CCC[C@]2(CC(=O)N(CC[NH+](C)C)C2=O)C1 ZINC001273881705 832978669 /nfs/dbraw/zinc/97/86/69/832978669.db2.gz QBPRCHSYYAFUIU-CJNGLKHVSA-N 2 1 309.410 -0.064 20 30 DBEDMP C=C[C@@H](O)C[N@@H+]1CCOC[C@@]2(CC(=O)N(CC[NH+](C)C)C2)C1 ZINC001273882506 832979316 /nfs/dbraw/zinc/97/93/16/832979316.db2.gz ZQOHYOLUOWOHSI-ZBFHGGJFSA-N 2 1 311.426 -0.354 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001182676161 833686344 /nfs/dbraw/zinc/68/63/44/833686344.db2.gz CKBXXWORCYJXOY-MGPQQGTHSA-N 2 1 308.426 -0.181 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001183353918 833714441 /nfs/dbraw/zinc/71/44/41/833714441.db2.gz HDSAJFSBMSBUIY-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCOCCOC)C1 ZINC001183353918 833714445 /nfs/dbraw/zinc/71/44/45/833714445.db2.gz HDSAJFSBMSBUIY-CVEARBPZSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC#C)C1 ZINC001183354215 833714641 /nfs/dbraw/zinc/71/46/41/833714641.db2.gz WGGBFSUSOMAIRW-CABCVRRESA-N 2 1 316.405 -0.976 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2CC#C)C1 ZINC001183354215 833714645 /nfs/dbraw/zinc/71/46/45/833714645.db2.gz WGGBFSUSOMAIRW-CABCVRRESA-N 2 1 316.405 -0.976 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@@H](O)COC)CC1 ZINC001276977386 833917061 /nfs/dbraw/zinc/91/70/61/833917061.db2.gz HUVXSIIKWHLLOZ-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C[C@H](O)COC)CC1 ZINC001276977384 833917249 /nfs/dbraw/zinc/91/72/49/833917249.db2.gz HUVXSIIKWHLLOZ-CVEARBPZSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC001277151998 833929132 /nfs/dbraw/zinc/92/91/32/833929132.db2.gz WWFBKVHVDOYOKE-KBPBESRZSA-N 2 1 320.437 -0.296 20 30 DBEDMP C[C@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001277356241 833948557 /nfs/dbraw/zinc/94/85/57/833948557.db2.gz QUVCZSVUGCQKBL-OLZOCXBDSA-N 2 1 309.414 -0.548 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001277883561 834001569 /nfs/dbraw/zinc/00/15/69/834001569.db2.gz KJOWIATXTPEZQO-UONOGXRCSA-N 2 1 321.425 -0.309 20 30 DBEDMP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@H+]1C)[NH2+]CC(=O)NCC#N ZINC001277906963 834004715 /nfs/dbraw/zinc/00/47/15/834004715.db2.gz GYWZFMTZXOILHZ-OLZOCXBDSA-N 2 1 309.414 -0.453 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189035407 834039906 /nfs/dbraw/zinc/03/99/06/834039906.db2.gz XPTQDPBYXWPTEX-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001189035407 834039913 /nfs/dbraw/zinc/03/99/13/834039913.db2.gz XPTQDPBYXWPTEX-UONOGXRCSA-N 2 1 308.426 -0.227 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389917 834074419 /nfs/dbraw/zinc/07/44/19/834074419.db2.gz MERAOLSZEHROBD-QWHCGFSZSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001189389917 834074423 /nfs/dbraw/zinc/07/44/23/834074423.db2.gz MERAOLSZEHROBD-QWHCGFSZSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001189389917 834074433 /nfs/dbraw/zinc/07/44/33/834074433.db2.gz MERAOLSZEHROBD-QWHCGFSZSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001189389917 834074440 /nfs/dbraw/zinc/07/44/40/834074440.db2.gz MERAOLSZEHROBD-QWHCGFSZSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001190238726 834148870 /nfs/dbraw/zinc/14/88/70/834148870.db2.gz OXCPOVMBSDDRII-HZSPNIEDSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001190238726 834148874 /nfs/dbraw/zinc/14/88/74/834148874.db2.gz OXCPOVMBSDDRII-HZSPNIEDSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190238726 834148879 /nfs/dbraw/zinc/14/88/79/834148879.db2.gz OXCPOVMBSDDRII-HZSPNIEDSA-N 2 1 321.425 -0.501 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)CC[NH+]1C ZINC001190238726 834148882 /nfs/dbraw/zinc/14/88/82/834148882.db2.gz OXCPOVMBSDDRII-HZSPNIEDSA-N 2 1 321.425 -0.501 20 30 DBEDMP CC[N@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001191019149 834213964 /nfs/dbraw/zinc/21/39/64/834213964.db2.gz JQXLLXGRFFJPLW-CYBMUJFWSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH+](C)CC(=O)NCC#N)C1 ZINC001191019149 834213970 /nfs/dbraw/zinc/21/39/70/834213970.db2.gz JQXLLXGRFFJPLW-CYBMUJFWSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001191019149 834213977 /nfs/dbraw/zinc/21/39/77/834213977.db2.gz JQXLLXGRFFJPLW-CYBMUJFWSA-N 2 1 323.441 -0.111 20 30 DBEDMP CC[NH+](C)C(C)(C)C(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001191019149 834213979 /nfs/dbraw/zinc/21/39/79/834213979.db2.gz JQXLLXGRFFJPLW-CYBMUJFWSA-N 2 1 323.441 -0.111 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001192008379 834316894 /nfs/dbraw/zinc/31/68/94/834316894.db2.gz WYFYHNCOVMFSNZ-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C[NH+](C)CCCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001192008379 834316903 /nfs/dbraw/zinc/31/69/03/834316903.db2.gz WYFYHNCOVMFSNZ-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001192046280 834322697 /nfs/dbraw/zinc/32/26/97/834322697.db2.gz MGUAHGQPJJWJIG-GJZGRUSLSA-N 2 1 322.453 -0.001 20 30 DBEDMP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353609 834363716 /nfs/dbraw/zinc/36/37/16/834363716.db2.gz FUDRFKWWSBEZNG-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CC[C@H]([NH+](C)CC(=O)NCC#N)C2)C1 ZINC001192353609 834363726 /nfs/dbraw/zinc/36/37/26/834363726.db2.gz FUDRFKWWSBEZNG-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353609 834363737 /nfs/dbraw/zinc/36/37/37/834363737.db2.gz FUDRFKWWSBEZNG-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[C@@H]1CC[NH+](CC(=O)N2CC[C@H]([N@@H+](C)CC(=O)NCC#N)C2)C1 ZINC001192353609 834363750 /nfs/dbraw/zinc/36/37/50/834363750.db2.gz FUDRFKWWSBEZNG-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C=CCOC[C@H](O)C[N@H+]1C[C@H]2C[C@]3(C(=O)OC)C[NH2+]C[C@@H]3[C@H]2C1 ZINC001246047771 834413195 /nfs/dbraw/zinc/41/31/95/834413195.db2.gz SZYVIOLQRYWBCG-GAGVYUBLSA-N 2 1 324.421 -0.120 20 30 DBEDMP C=CCOC(=O)[C@@H]([NH3+])CCCC[NH2+][C@@H]1CCS(=O)(=O)C1 ZINC001246305062 834428976 /nfs/dbraw/zinc/42/89/76/834428976.db2.gz GOPXZZQQFRLAMW-NEPJUHHUSA-N 2 1 304.412 -0.010 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)C[NH+](CC)CC)C1 ZINC001192947765 834445607 /nfs/dbraw/zinc/44/56/07/834445607.db2.gz MQUNIZNPMLAARK-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001193102433 834462010 /nfs/dbraw/zinc/46/20/10/834462010.db2.gz JMAHMFCZKNFUNS-KBUPBQIOSA-N 2 1 311.426 -0.310 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102433 834462016 /nfs/dbraw/zinc/46/20/16/834462016.db2.gz JMAHMFCZKNFUNS-KBUPBQIOSA-N 2 1 311.426 -0.310 20 30 DBEDMP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001193102433 834462022 /nfs/dbraw/zinc/46/20/22/834462022.db2.gz JMAHMFCZKNFUNS-KBUPBQIOSA-N 2 1 311.426 -0.310 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461592 834499527 /nfs/dbraw/zinc/49/95/27/834499527.db2.gz HCZWLZMVOXPJNK-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461592 834499533 /nfs/dbraw/zinc/49/95/33/834499533.db2.gz HCZWLZMVOXPJNK-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193461592 834499536 /nfs/dbraw/zinc/49/95/36/834499536.db2.gz HCZWLZMVOXPJNK-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193461592 834499542 /nfs/dbraw/zinc/49/95/42/834499542.db2.gz HCZWLZMVOXPJNK-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461236 834499677 /nfs/dbraw/zinc/49/96/77/834499677.db2.gz GWOUWXFPMURDJX-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001193461236 834499683 /nfs/dbraw/zinc/49/96/83/834499683.db2.gz GWOUWXFPMURDJX-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001193461236 834499688 /nfs/dbraw/zinc/49/96/88/834499688.db2.gz GWOUWXFPMURDJX-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001193461236 834499696 /nfs/dbraw/zinc/49/96/96/834499696.db2.gz GWOUWXFPMURDJX-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002313 834554805 /nfs/dbraw/zinc/55/48/05/834554805.db2.gz QZEVKTRGDUYDSV-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002313 834554810 /nfs/dbraw/zinc/55/48/10/834554810.db2.gz QZEVKTRGDUYDSV-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002313 834554818 /nfs/dbraw/zinc/55/48/18/834554818.db2.gz QZEVKTRGDUYDSV-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002313 834554828 /nfs/dbraw/zinc/55/48/28/834554828.db2.gz QZEVKTRGDUYDSV-ZIAGYGMSSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002307 834555211 /nfs/dbraw/zinc/55/52/11/834555211.db2.gz QZEVKTRGDUYDSV-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002307 834555217 /nfs/dbraw/zinc/55/52/17/834555217.db2.gz QZEVKTRGDUYDSV-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002307 834555221 /nfs/dbraw/zinc/55/52/21/834555221.db2.gz QZEVKTRGDUYDSV-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002307 834555227 /nfs/dbraw/zinc/55/52/27/834555227.db2.gz QZEVKTRGDUYDSV-KBPBESRZSA-N 2 1 308.426 -0.227 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001194002799 834556446 /nfs/dbraw/zinc/55/64/46/834556446.db2.gz ZIDOUBYWDTVCME-STQMWFEESA-N 2 1 307.398 -0.889 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002799 834556435 /nfs/dbraw/zinc/55/64/35/834556435.db2.gz ZIDOUBYWDTVCME-STQMWFEESA-N 2 1 307.398 -0.889 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001194002799 834556440 /nfs/dbraw/zinc/55/64/40/834556440.db2.gz ZIDOUBYWDTVCME-STQMWFEESA-N 2 1 307.398 -0.889 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001194002799 834556442 /nfs/dbraw/zinc/55/64/42/834556442.db2.gz ZIDOUBYWDTVCME-STQMWFEESA-N 2 1 307.398 -0.889 20 30 DBEDMP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002310 834556501 /nfs/dbraw/zinc/55/65/01/834556501.db2.gz QZEVKTRGDUYDSV-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001194002310 834556505 /nfs/dbraw/zinc/55/65/05/834556505.db2.gz QZEVKTRGDUYDSV-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001194002310 834556512 /nfs/dbraw/zinc/55/65/12/834556512.db2.gz QZEVKTRGDUYDSV-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001194002310 834556515 /nfs/dbraw/zinc/55/65/15/834556515.db2.gz QZEVKTRGDUYDSV-KGLIPLIRSA-N 2 1 308.426 -0.227 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154034 834571244 /nfs/dbraw/zinc/57/12/44/834571244.db2.gz JFEMBEYXGLUYSD-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH+](C)CC#CCOC)C2)C1 ZINC001194154034 834571253 /nfs/dbraw/zinc/57/12/53/834571253.db2.gz JFEMBEYXGLUYSD-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@H+](C)CC#CCOC)C2)C1 ZINC001194154034 834571256 /nfs/dbraw/zinc/57/12/56/834571256.db2.gz JFEMBEYXGLUYSD-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP CC[NH+]1CCO[C@@H](C(=O)N2CC[C@@H]([N@@H+](C)CC#CCOC)C2)C1 ZINC001194154034 834571263 /nfs/dbraw/zinc/57/12/63/834571263.db2.gz JFEMBEYXGLUYSD-HZPDHXFCSA-N 2 1 323.437 -0.110 20 30 DBEDMP C=C(C)C[N@H+]1C[C@@H](O)[C@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001197320021 834855327 /nfs/dbraw/zinc/85/53/27/834855327.db2.gz SXBOWOIDHAISHI-HUUCEWRRSA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001198870072 834975251 /nfs/dbraw/zinc/97/52/51/834975251.db2.gz HJSSSSAJGPIICA-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001198870072 834975259 /nfs/dbraw/zinc/97/52/59/834975259.db2.gz HJSSSSAJGPIICA-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001198870072 834975269 /nfs/dbraw/zinc/97/52/69/834975269.db2.gz HJSSSSAJGPIICA-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001198870072 834975280 /nfs/dbraw/zinc/97/52/80/834975280.db2.gz HJSSSSAJGPIICA-RBSFLKMASA-N 2 1 311.426 -0.165 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001263850326 834991197 /nfs/dbraw/zinc/99/11/97/834991197.db2.gz LUDDJJCGDLHNHL-MELADBBJSA-N 2 1 306.410 -0.828 20 30 DBEDMP C#CC[N@@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264080050 835007374 /nfs/dbraw/zinc/00/73/74/835007374.db2.gz FJSJKGJQDVBHKW-INIZCTEOSA-N 2 1 323.437 -0.373 20 30 DBEDMP C#CC[N@H+](CCO)[C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001264080050 835007386 /nfs/dbraw/zinc/00/73/86/835007386.db2.gz FJSJKGJQDVBHKW-INIZCTEOSA-N 2 1 323.437 -0.373 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001199826276 835060317 /nfs/dbraw/zinc/06/03/17/835060317.db2.gz IVSVMBYVEWFDIG-CYBMUJFWSA-N 2 1 307.398 -0.699 20 30 DBEDMP CC#CC[N@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264662888 835045482 /nfs/dbraw/zinc/04/54/82/835045482.db2.gz RFRDTYIIEILATJ-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[N@@H+](C)CCOCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001264662888 835045493 /nfs/dbraw/zinc/04/54/93/835045493.db2.gz RFRDTYIIEILATJ-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001264662888 835045505 /nfs/dbraw/zinc/04/55/05/835045505.db2.gz RFRDTYIIEILATJ-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP CC#CC[NH+](C)CCOCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001264662888 835045514 /nfs/dbraw/zinc/04/55/14/835045514.db2.gz RFRDTYIIEILATJ-HNNXBMFYSA-N 2 1 311.426 -0.253 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265350472 835133069 /nfs/dbraw/zinc/13/30/69/835133069.db2.gz QOWKHTCSMVPCPY-KBPBESRZSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265350472 835133073 /nfs/dbraw/zinc/13/30/73/835133073.db2.gz QOWKHTCSMVPCPY-KBPBESRZSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265350474 835133129 /nfs/dbraw/zinc/13/31/29/835133129.db2.gz QOWKHTCSMVPCPY-UONOGXRCSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265350474 835133131 /nfs/dbraw/zinc/13/31/31/835133131.db2.gz QOWKHTCSMVPCPY-UONOGXRCSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001265350475 835133215 /nfs/dbraw/zinc/13/32/15/835133215.db2.gz QOWKHTCSMVPCPY-ZIAGYGMSSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001265350475 835133220 /nfs/dbraw/zinc/13/32/20/835133220.db2.gz QOWKHTCSMVPCPY-ZIAGYGMSSA-N 2 1 324.425 -0.896 20 30 DBEDMP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001200635593 835141623 /nfs/dbraw/zinc/14/16/23/835141623.db2.gz AMINDPOJVOQGSS-TZMCWYRMSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200796523 835152646 /nfs/dbraw/zinc/15/26/46/835152646.db2.gz ZNPTWIRAWKXCAK-QLFBSQMISA-N 2 1 309.410 -0.454 20 30 DBEDMP C#CC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CCCO1 ZINC001200796523 835152648 /nfs/dbraw/zinc/15/26/48/835152648.db2.gz ZNPTWIRAWKXCAK-QLFBSQMISA-N 2 1 309.410 -0.454 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001265558308 835153363 /nfs/dbraw/zinc/15/33/63/835153363.db2.gz UVUAEMSWDNBFGA-BARDWOONSA-N 2 1 320.437 -0.297 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C1CCC1 ZINC001265784040 835172716 /nfs/dbraw/zinc/17/27/16/835172716.db2.gz UOTBKDKWONXHIM-CHWSQXEVSA-N 2 1 308.426 -0.297 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037639 835219880 /nfs/dbraw/zinc/21/98/80/835219880.db2.gz VSGAANNCPQFNKY-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC#CCOC)C2)C1 ZINC001266037639 835219887 /nfs/dbraw/zinc/21/98/87/835219887.db2.gz VSGAANNCPQFNKY-JKSUJKDBSA-N 2 1 323.437 -0.205 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CCCO1 ZINC001202058604 835229191 /nfs/dbraw/zinc/22/91/91/835229191.db2.gz LLVWEOYNLTUQTJ-CVEARBPZSA-N 2 1 323.437 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001202496016 835252052 /nfs/dbraw/zinc/25/20/52/835252052.db2.gz MKLWQYJFINYPFU-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001266352699 835288563 /nfs/dbraw/zinc/28/85/63/835288563.db2.gz GKHBEHMPUVHVOS-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001266352699 835288572 /nfs/dbraw/zinc/28/85/72/835288572.db2.gz GKHBEHMPUVHVOS-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352699 835288584 /nfs/dbraw/zinc/28/85/84/835288584.db2.gz GKHBEHMPUVHVOS-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001266352699 835288589 /nfs/dbraw/zinc/28/85/89/835288589.db2.gz GKHBEHMPUVHVOS-KGLIPLIRSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266350986 835288807 /nfs/dbraw/zinc/28/88/07/835288807.db2.gz XCACQYGJQUWPHG-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCNC(=O)C12CC[NH+](CC1)C2 ZINC001266350986 835288812 /nfs/dbraw/zinc/28/88/12/835288812.db2.gz XCACQYGJQUWPHG-CYBMUJFWSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001266352614 835289179 /nfs/dbraw/zinc/28/91/79/835289179.db2.gz FCRDTMLJFGVZGA-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266352614 835289184 /nfs/dbraw/zinc/28/91/84/835289184.db2.gz FCRDTMLJFGVZGA-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352614 835289191 /nfs/dbraw/zinc/28/91/91/835289191.db2.gz FCRDTMLJFGVZGA-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001266352614 835289198 /nfs/dbraw/zinc/28/91/98/835289198.db2.gz FCRDTMLJFGVZGA-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266414021 835303511 /nfs/dbraw/zinc/30/35/11/835303511.db2.gz XRSZYOJAOZBREV-UHFFFAOYSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)C1CC[NH+](C)CC1 ZINC001266414021 835303519 /nfs/dbraw/zinc/30/35/19/835303519.db2.gz XRSZYOJAOZBREV-UHFFFAOYSA-N 2 1 308.426 -0.484 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001203699350 835305518 /nfs/dbraw/zinc/30/55/18/835305518.db2.gz IQHAHSMDJBSETM-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC#CCOC)CC2)C1 ZINC001203797834 835308341 /nfs/dbraw/zinc/30/83/41/835308341.db2.gz KFZQCWFVHOLYRA-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC#CCOC)CC2)C1 ZINC001203797834 835308346 /nfs/dbraw/zinc/30/83/46/835308346.db2.gz KFZQCWFVHOLYRA-MRXNPFEDSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC)CC1 ZINC001266440389 835308405 /nfs/dbraw/zinc/30/84/05/835308405.db2.gz RAEDAJKBVJUPLG-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC)CC1 ZINC001266440389 835308411 /nfs/dbraw/zinc/30/84/11/835308411.db2.gz RAEDAJKBVJUPLG-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001266505125 835322002 /nfs/dbraw/zinc/32/20/02/835322002.db2.gz DCKLLDJFVYZZKK-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[NH+]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001266505125 835322011 /nfs/dbraw/zinc/32/20/11/835322011.db2.gz DCKLLDJFVYZZKK-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266505125 835322020 /nfs/dbraw/zinc/32/20/20/835322020.db2.gz DCKLLDJFVYZZKK-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C=CCOCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001266505125 835322028 /nfs/dbraw/zinc/32/20/28/835322028.db2.gz DCKLLDJFVYZZKK-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001266532088 835331003 /nfs/dbraw/zinc/33/10/03/835331003.db2.gz UMVGAILIMCCEMW-ILXRZTDVSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)C)C1 ZINC001266532088 835331010 /nfs/dbraw/zinc/33/10/10/835331010.db2.gz UMVGAILIMCCEMW-ILXRZTDVSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001266532089 835332132 /nfs/dbraw/zinc/33/21/32/835332132.db2.gz UMVGAILIMCCEMW-KKUMJFAQSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H](C)C(=O)N(C)C)C1 ZINC001266532089 835332136 /nfs/dbraw/zinc/33/21/36/835332136.db2.gz UMVGAILIMCCEMW-KKUMJFAQSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001266599569 835344105 /nfs/dbraw/zinc/34/41/05/835344105.db2.gz OMHILMDGOYZZJT-KKUMJFAQSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC(=O)NC2CC2)C1 ZINC001266599569 835344113 /nfs/dbraw/zinc/34/41/13/835344113.db2.gz OMHILMDGOYZZJT-KKUMJFAQSA-N 2 1 318.421 -0.401 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001266718406 835367752 /nfs/dbraw/zinc/36/77/52/835367752.db2.gz OBBUQIULNYOSAX-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001266725435 835369703 /nfs/dbraw/zinc/36/97/03/835369703.db2.gz HRHNCNOBISAMEW-MELADBBJSA-N 2 1 308.426 -0.297 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267115302 835444263 /nfs/dbraw/zinc/44/42/63/835444263.db2.gz SQZWOJHVQYCPHT-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001267115302 835444267 /nfs/dbraw/zinc/44/42/67/835444267.db2.gz SQZWOJHVQYCPHT-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001267115302 835444271 /nfs/dbraw/zinc/44/42/71/835444271.db2.gz SQZWOJHVQYCPHT-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001267115302 835444274 /nfs/dbraw/zinc/44/42/74/835444274.db2.gz SQZWOJHVQYCPHT-KBPBESRZSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001267133022 835448100 /nfs/dbraw/zinc/44/81/00/835448100.db2.gz WDMNXLNHLBFLII-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC(=O)NC1CC1 ZINC001267133022 835448104 /nfs/dbraw/zinc/44/81/04/835448104.db2.gz WDMNXLNHLBFLII-HIFRSBDPSA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cncn1 ZINC001267131940 835448208 /nfs/dbraw/zinc/44/82/08/835448208.db2.gz KSBXWNQJJHARAE-GJZGRUSLSA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCn1cncn1 ZINC001267131940 835448214 /nfs/dbraw/zinc/44/82/14/835448214.db2.gz KSBXWNQJJHARAE-GJZGRUSLSA-N 2 1 318.425 -0.140 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267282687 835475536 /nfs/dbraw/zinc/47/55/36/835475536.db2.gz RQYBNTOFNQOQSS-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267282687 835475539 /nfs/dbraw/zinc/47/55/39/835475539.db2.gz RQYBNTOFNQOQSS-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282687 835475544 /nfs/dbraw/zinc/47/55/44/835475544.db2.gz RQYBNTOFNQOQSS-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267282687 835475548 /nfs/dbraw/zinc/47/55/48/835475548.db2.gz RQYBNTOFNQOQSS-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306394 835482512 /nfs/dbraw/zinc/48/25/12/835482512.db2.gz GIIIFPDNCCBFTB-ZFWWWQNUSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306394 835482513 /nfs/dbraw/zinc/48/25/13/835482513.db2.gz GIIIFPDNCCBFTB-ZFWWWQNUSA-N 2 1 323.441 -0.350 20 30 DBEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001267922521 835609686 /nfs/dbraw/zinc/60/96/86/835609686.db2.gz DKZLXEQVNWTAEC-BZUAXINKSA-N 2 1 323.437 -0.016 20 30 DBEDMP COCC#CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001267922521 835609692 /nfs/dbraw/zinc/60/96/92/835609692.db2.gz DKZLXEQVNWTAEC-BZUAXINKSA-N 2 1 323.437 -0.016 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)C1 ZINC001267969181 835614845 /nfs/dbraw/zinc/61/48/45/835614845.db2.gz HHCBVXOCXOBADF-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC#CCOC)C1 ZINC001267969181 835614849 /nfs/dbraw/zinc/61/48/49/835614849.db2.gz HHCBVXOCXOBADF-HZPDHXFCSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268081599 835629724 /nfs/dbraw/zinc/62/97/24/835629724.db2.gz QOWPFPRLFMXQAQ-ZNMIVQPWSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001268081598 835629902 /nfs/dbraw/zinc/62/99/02/835629902.db2.gz QOWPFPRLFMXQAQ-KKUMJFAQSA-N 2 1 322.453 -0.097 20 30 DBEDMP COCC#CC[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+]1CCOCC1 ZINC001268088897 835631308 /nfs/dbraw/zinc/63/13/08/835631308.db2.gz AWKXVAVJAKRFSG-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001268098554 835631811 /nfs/dbraw/zinc/63/18/11/835631811.db2.gz UAJSGCXKQALFNB-UONOGXRCSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nncn1C ZINC001268373416 835678322 /nfs/dbraw/zinc/67/83/22/835678322.db2.gz LGVXFOKGGADVJI-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1nncn1C ZINC001268373416 835678324 /nfs/dbraw/zinc/67/83/24/835678324.db2.gz LGVXFOKGGADVJI-KBPBESRZSA-N 2 1 318.425 -0.103 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001268380136 835681848 /nfs/dbraw/zinc/68/18/48/835681848.db2.gz YEYUSYLCMFWAKE-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001268629217 835758286 /nfs/dbraw/zinc/75/82/86/835758286.db2.gz UWICEIGRFNNDQL-FOSCPCJNSA-N 2 1 309.410 -0.381 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)NC/C=C\C[NH2+]CC#CCOC)C1 ZINC001268629217 835758296 /nfs/dbraw/zinc/75/82/96/835758296.db2.gz UWICEIGRFNNDQL-FOSCPCJNSA-N 2 1 309.410 -0.381 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NCC=C ZINC001268648569 835765898 /nfs/dbraw/zinc/76/58/98/835765898.db2.gz NIEHYUDFCKUDLK-ILXRZTDVSA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@@H](C)C(=O)NCC=C ZINC001268648569 835765907 /nfs/dbraw/zinc/76/59/07/835765907.db2.gz NIEHYUDFCKUDLK-ILXRZTDVSA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC1CC1 ZINC001268798945 835810017 /nfs/dbraw/zinc/81/00/17/835810017.db2.gz QUCGKJPBUDJQPN-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC(=O)NC1CC1 ZINC001268798945 835810021 /nfs/dbraw/zinc/81/00/21/835810021.db2.gz QUCGKJPBUDJQPN-HNNXBMFYSA-N 2 1 320.437 -0.199 20 30 DBEDMP COCC#CC[NH+]1CC(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001268892479 835837307 /nfs/dbraw/zinc/83/73/07/835837307.db2.gz VLBKLEPIGRYCJV-UHFFFAOYSA-N 2 1 323.437 -0.205 20 30 DBEDMP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349039 1013148167 /nfs/dbraw/zinc/14/81/67/1013148167.db2.gz CMOMXLPGUSVGIQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349039 1013148192 /nfs/dbraw/zinc/14/81/92/1013148192.db2.gz CMOMXLPGUSVGIQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485349039 1013148209 /nfs/dbraw/zinc/14/82/09/1013148209.db2.gz CMOMXLPGUSVGIQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485349039 1013148224 /nfs/dbraw/zinc/14/82/24/1013148224.db2.gz CMOMXLPGUSVGIQ-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)CC(=O)NCC#N ZINC001485349035 1013150549 /nfs/dbraw/zinc/15/05/49/1013150549.db2.gz CMOMXLPGUSVGIQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)CC(=O)NCC#N ZINC001485349035 1013150560 /nfs/dbraw/zinc/15/05/60/1013150560.db2.gz CMOMXLPGUSVGIQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349035 1013150539 /nfs/dbraw/zinc/15/05/39/1013150539.db2.gz CMOMXLPGUSVGIQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)CC(=O)NCC#N ZINC001485349035 1013150528 /nfs/dbraw/zinc/15/05/28/1013150528.db2.gz CMOMXLPGUSVGIQ-CHWSQXEVSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NC)CC1 ZINC001485388655 1013176545 /nfs/dbraw/zinc/17/65/45/1013176545.db2.gz OKHACIIJBLVGHS-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC(=O)NC)CC1 ZINC001485388655 1013176552 /nfs/dbraw/zinc/17/65/52/1013176552.db2.gz OKHACIIJBLVGHS-ZDUSSCGKSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001485693927 1013326770 /nfs/dbraw/zinc/32/67/70/1013326770.db2.gz RUZKQRBHTROALS-KKUMJFAQSA-N 2 1 320.437 -0.296 20 30 DBEDMP COCC#CCN(CCNC(=O)[C@H]1CCC[N@H+]1C)CCOC ZINC001486430518 1013839701 /nfs/dbraw/zinc/83/97/01/1013839701.db2.gz CDNLDVCCZZCUGU-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001486483997 1013848098 /nfs/dbraw/zinc/84/80/98/1013848098.db2.gz ULKNUOWRFJBPEU-UHFFFAOYSA-N 2 1 309.414 -0.455 20 30 DBEDMP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117028 977656381 /nfs/dbraw/zinc/65/63/81/977656381.db2.gz DKVJVYVZZNWGEF-HUUCEWRRSA-N 2 1 305.426 -0.320 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052117028 977656386 /nfs/dbraw/zinc/65/63/86/977656386.db2.gz DKVJVYVZZNWGEF-HUUCEWRRSA-N 2 1 305.426 -0.320 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)C1 ZINC001208070602 978314041 /nfs/dbraw/zinc/31/40/41/978314041.db2.gz NXVGUPUKLRSWSR-QLFBSQMISA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441437 978371019 /nfs/dbraw/zinc/37/10/19/978371019.db2.gz GFKYPKCKOGXGQO-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001208441437 978371029 /nfs/dbraw/zinc/37/10/29/978371029.db2.gz GFKYPKCKOGXGQO-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209635289 978469244 /nfs/dbraw/zinc/46/92/44/978469244.db2.gz PSMMCLRTVMPWKM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209635289 978469250 /nfs/dbraw/zinc/46/92/50/978469250.db2.gz PSMMCLRTVMPWKM-ZIAGYGMSSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642111 978469930 /nfs/dbraw/zinc/46/99/30/978469930.db2.gz BFCINZJAXDEBBV-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](CC)CC)C1 ZINC001209642111 978469936 /nfs/dbraw/zinc/46/99/36/978469936.db2.gz BFCINZJAXDEBBV-QLFBSQMISA-N 2 1 322.453 -0.097 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211065512 978552397 /nfs/dbraw/zinc/55/23/97/978552397.db2.gz WCGCUNGKCHSIGQ-CHWSQXEVSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@H](OC)C1 ZINC001213863527 978693991 /nfs/dbraw/zinc/69/39/91/978693991.db2.gz NADYAHSLKGHKQQ-BZUAXINKSA-N 2 1 323.437 -0.207 20 30 DBEDMP C[C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215536043 978772468 /nfs/dbraw/zinc/77/24/68/978772468.db2.gz FLTOWMOZMGNCBT-MGPQQGTHSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216383953 978786314 /nfs/dbraw/zinc/78/63/14/978786314.db2.gz SZLAKIJVJALLPL-RBSFLKMASA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216749922 978791365 /nfs/dbraw/zinc/79/13/65/978791365.db2.gz HCJAWGBTCIPWJP-HZSPNIEDSA-N 2 1 306.410 -0.876 20 30 DBEDMP C=CCOCC[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219813789 979024573 /nfs/dbraw/zinc/02/45/73/979024573.db2.gz FJFZOZSYUFZGEU-CABCVRRESA-N 2 1 311.426 -0.165 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877573 979036288 /nfs/dbraw/zinc/03/62/88/979036288.db2.gz MBHVRCXAYYXKAK-KGLIPLIRSA-N 2 1 311.426 -0.308 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001219877573 979036295 /nfs/dbraw/zinc/03/62/95/979036295.db2.gz MBHVRCXAYYXKAK-KGLIPLIRSA-N 2 1 311.426 -0.308 20 30 DBEDMP COCC#CCN1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](O)C1 ZINC001220755607 979274262 /nfs/dbraw/zinc/27/42/62/979274262.db2.gz SAVHTXFWNHGLDF-ZNMIVQPWSA-N 2 1 309.410 -0.861 20 30 DBEDMP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](O)C1 ZINC001220755384 979277231 /nfs/dbraw/zinc/27/72/31/979277231.db2.gz NSFFJEPUWDEIFJ-KFWWJZLASA-N 2 1 311.426 -0.308 20 30 DBEDMP C[NH+](C)CCC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001224326330 979569749 /nfs/dbraw/zinc/56/97/49/979569749.db2.gz PMNOAAJIVNHYKD-UHFFFAOYSA-N 2 1 309.414 -0.594 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001349170443 980419222 /nfs/dbraw/zinc/41/92/22/980419222.db2.gz RWGFLOZIHPWQAK-QWHCGFSZSA-N 2 1 307.398 -0.570 20 30 DBEDMP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC001349822958 980515071 /nfs/dbraw/zinc/51/50/71/980515071.db2.gz LUWLLJJEJKKMRB-CYBMUJFWSA-N 2 1 309.414 -0.276 20 30 DBEDMP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC001349822980 980515260 /nfs/dbraw/zinc/51/52/60/980515260.db2.gz LUWLLJJEJKKMRB-ZDUSSCGKSA-N 2 1 309.414 -0.276 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CC(=O)NCC#N ZINC001489144780 1014686268 /nfs/dbraw/zinc/68/62/68/1014686268.db2.gz HELRSTKPABJWGJ-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC[N@H+]1CC(=O)NCC#N ZINC001489144780 1014686280 /nfs/dbraw/zinc/68/62/80/1014686280.db2.gz HELRSTKPABJWGJ-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001489144780 1014686296 /nfs/dbraw/zinc/68/62/96/1014686296.db2.gz HELRSTKPABJWGJ-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001489144780 1014686313 /nfs/dbraw/zinc/68/63/13/1014686313.db2.gz HELRSTKPABJWGJ-HZSPNIEDSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)NCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001355701139 980906817 /nfs/dbraw/zinc/90/68/17/980906817.db2.gz KUKZEPXENAUYLX-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001355701139 980906827 /nfs/dbraw/zinc/90/68/27/980906827.db2.gz KUKZEPXENAUYLX-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[N@H+](C)C(C)C ZINC001355701139 980906835 /nfs/dbraw/zinc/90/68/35/980906835.db2.gz KUKZEPXENAUYLX-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)C[NH+](C)C(C)C ZINC001355701139 980906851 /nfs/dbraw/zinc/90/68/51/980906851.db2.gz KUKZEPXENAUYLX-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC(=O)NCC#N ZINC001490281766 1014915554 /nfs/dbraw/zinc/91/55/54/1014915554.db2.gz NAGAHVUPIPMYPE-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP CC[NH+]1CCCC[C@H]1C(=O)NCCC[N@H+](C)CC(=O)NCC#N ZINC001490281766 1014915565 /nfs/dbraw/zinc/91/55/65/1014915565.db2.gz NAGAHVUPIPMYPE-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC001490727271 1015097051 /nfs/dbraw/zinc/09/70/51/1015097051.db2.gz AQNSNSBSMQDGST-DZGCQCFKSA-N 2 1 320.437 -0.438 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@@H+](C)CC(N)=O)C1 ZINC001490768021 1015114058 /nfs/dbraw/zinc/11/40/58/1015114058.db2.gz XPLTZWLDRQYGSA-GJZGRUSLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[N@H+](C)CC(N)=O)C1 ZINC001490768021 1015114075 /nfs/dbraw/zinc/11/40/75/1015114075.db2.gz XPLTZWLDRQYGSA-GJZGRUSLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001490768021 1015114082 /nfs/dbraw/zinc/11/40/82/1015114082.db2.gz XPLTZWLDRQYGSA-GJZGRUSLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CC(N)=O)C1 ZINC001490768021 1015114093 /nfs/dbraw/zinc/11/40/93/1015114093.db2.gz XPLTZWLDRQYGSA-GJZGRUSLSA-N 2 1 320.437 -0.260 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001490876633 1015141210 /nfs/dbraw/zinc/14/12/10/1015141210.db2.gz IDNCULMUOOGTBF-XUXIUFHCSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001490947038 1015167833 /nfs/dbraw/zinc/16/78/33/1015167833.db2.gz VWQRHMYEZUBQBJ-KBUPBQIOSA-N 2 1 320.437 -0.297 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491017682 1015193839 /nfs/dbraw/zinc/19/38/39/1015193839.db2.gz SPTPDLFPWWRXJQ-MJBXVCDLSA-N 2 1 321.425 -0.264 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001491081013 1015219768 /nfs/dbraw/zinc/21/97/68/1015219768.db2.gz LNVCDQMRSRHKTB-HZSPNIEDSA-N 2 1 324.425 -0.754 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001491081013 1015219777 /nfs/dbraw/zinc/21/97/77/1015219777.db2.gz LNVCDQMRSRHKTB-HZSPNIEDSA-N 2 1 324.425 -0.754 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001491117962 1015240652 /nfs/dbraw/zinc/24/06/52/1015240652.db2.gz WAVCHDAFVPTFGS-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001491117962 1015240658 /nfs/dbraw/zinc/24/06/58/1015240658.db2.gz WAVCHDAFVPTFGS-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001491117962 1015240665 /nfs/dbraw/zinc/24/06/65/1015240665.db2.gz WAVCHDAFVPTFGS-HUUCEWRRSA-N 2 1 320.437 -0.342 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491725010 1015593721 /nfs/dbraw/zinc/59/37/21/1015593721.db2.gz MGUYEGCLTTXWLA-UONOGXRCSA-N 2 1 321.425 -0.311 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001491890752 1015663660 /nfs/dbraw/zinc/66/36/60/1015663660.db2.gz FSRSVKJZKSMOAV-KBPBESRZSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H]2CCNC2=O)CC1 ZINC001492873734 1015820566 /nfs/dbraw/zinc/82/05/66/1015820566.db2.gz RSKHOGCCYUWBJR-AWEZNQCLSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H]2CCNC2=O)CC1 ZINC001492873734 1015820568 /nfs/dbraw/zinc/82/05/68/1015820568.db2.gz RSKHOGCCYUWBJR-AWEZNQCLSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494773530 1016422406 /nfs/dbraw/zinc/42/24/06/1016422406.db2.gz UTEKQDQDNJHJIF-RRFJBIMHSA-N 2 1 322.453 -0.099 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001494773530 1016422420 /nfs/dbraw/zinc/42/24/20/1016422420.db2.gz UTEKQDQDNJHJIF-RRFJBIMHSA-N 2 1 322.453 -0.099 20 30 DBEDMP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001495729311 1016708376 /nfs/dbraw/zinc/70/83/76/1016708376.db2.gz HJTBKEZKWAQNJE-IHRRRGAJSA-N 2 1 323.441 -0.302 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001419715403 1004951945 /nfs/dbraw/zinc/95/19/45/1004951945.db2.gz UFAHTGIKMPNGPA-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626736 1016974918 /nfs/dbraw/zinc/97/49/18/1016974918.db2.gz HRCVVMMYUQOYCS-UONOGXRCSA-N 2 1 323.441 -0.302 20 30 DBEDMP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)[NH2+]CC(=O)NCC#N ZINC001496626729 1016975989 /nfs/dbraw/zinc/97/59/89/1016975989.db2.gz HRCVVMMYUQOYCS-KBPBESRZSA-N 2 1 323.441 -0.302 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001449179130 1010343875 /nfs/dbraw/zinc/34/38/75/1010343875.db2.gz BGTWVJVJXMEDSY-STQMWFEESA-N 2 1 319.833 -0.132 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001449179130 1010343889 /nfs/dbraw/zinc/34/38/89/1010343889.db2.gz BGTWVJVJXMEDSY-STQMWFEESA-N 2 1 319.833 -0.132 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784257 1010379541 /nfs/dbraw/zinc/37/95/41/1010379541.db2.gz DZRRCLJSPGQQLU-AWEZNQCLSA-N 2 1 319.409 -0.232 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+](C)CCCNC(=O)Cn1c[nH+]cc1C ZINC001479784257 1010379555 /nfs/dbraw/zinc/37/95/55/1010379555.db2.gz DZRRCLJSPGQQLU-AWEZNQCLSA-N 2 1 319.409 -0.232 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001480142262 1010553148 /nfs/dbraw/zinc/55/31/48/1010553148.db2.gz MUVIJZOZIJHSRY-XUXIUFHCSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)C(=O)NC)C1 ZINC001480142262 1010553159 /nfs/dbraw/zinc/55/31/59/1010553159.db2.gz MUVIJZOZIJHSRY-XUXIUFHCSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001480142533 1010554228 /nfs/dbraw/zinc/55/42/28/1010554228.db2.gz RVAQVVSTAISUJQ-TUVASFSCSA-N 2 1 309.410 -0.672 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]C[C@@H](O)COC)C1 ZINC001480142533 1010554242 /nfs/dbraw/zinc/55/42/42/1010554242.db2.gz RVAQVVSTAISUJQ-TUVASFSCSA-N 2 1 309.410 -0.672 20 30 DBEDMP CCC[N@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001480521625 1010678004 /nfs/dbraw/zinc/67/80/04/1010678004.db2.gz KOTDJEMLWJOEIG-UONOGXRCSA-N 2 1 323.441 -0.158 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001480620817 1010719808 /nfs/dbraw/zinc/71/98/08/1010719808.db2.gz DZCNDEFYPFMIAD-AWEZNQCLSA-N 2 1 324.425 -0.799 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001480616229 1010719867 /nfs/dbraw/zinc/71/98/67/1010719867.db2.gz HWBHFMUTPRPMGN-UONOGXRCSA-N 2 1 306.410 -0.589 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481654825 1010953411 /nfs/dbraw/zinc/95/34/11/1010953411.db2.gz LKZBPQQLZQEBGL-ZDUSSCGKSA-N 2 1 320.437 -0.179 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740221 1010985338 /nfs/dbraw/zinc/98/53/38/1010985338.db2.gz MRFTZOJLHQXPPC-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740221 1010985343 /nfs/dbraw/zinc/98/53/43/1010985343.db2.gz MRFTZOJLHQXPPC-KGLIPLIRSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740220 1010986879 /nfs/dbraw/zinc/98/68/79/1010986879.db2.gz MRFTZOJLHQXPPC-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C)C1 ZINC001481740220 1010986886 /nfs/dbraw/zinc/98/68/86/1010986886.db2.gz MRFTZOJLHQXPPC-KBPBESRZSA-N 2 1 308.426 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001482100187 1011052180 /nfs/dbraw/zinc/05/21/80/1011052180.db2.gz BCBJPZIALRNLKH-CABCVRRESA-N 2 1 322.453 -0.050 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001482110755 1011056545 /nfs/dbraw/zinc/05/65/45/1011056545.db2.gz VJSGEAANBGOWFR-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]Cc1cn(C)nn1 ZINC001482110755 1011056551 /nfs/dbraw/zinc/05/65/51/1011056551.db2.gz VJSGEAANBGOWFR-ZFWWWQNUSA-N 2 1 318.425 -0.245 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001482289253 1011108361 /nfs/dbraw/zinc/10/83/61/1011108361.db2.gz RRINGOMJJBEMJU-HZSPNIEDSA-N 2 1 323.441 -0.207 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)Cn1cc[nH+]c1C ZINC001482365671 1011131203 /nfs/dbraw/zinc/13/12/03/1011131203.db2.gz XDPQIDKAOZWWEY-OLZOCXBDSA-N 2 1 319.409 -0.234 20 30 DBEDMP CC(C)C[C@@H](C[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCC[N@H+]1C ZINC001482391459 1011138945 /nfs/dbraw/zinc/13/89/45/1011138945.db2.gz SMGFSXSJNPOPCI-UONOGXRCSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642797 1011243198 /nfs/dbraw/zinc/24/31/98/1011243198.db2.gz UBQYBLMNCPVDBE-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC001482642797 1011243214 /nfs/dbraw/zinc/24/32/14/1011243214.db2.gz UBQYBLMNCPVDBE-CQSZACIVSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CCC[NH2+]C[C@H](O)CNC(=O)[C@H]1CCc2c[nH+]c(C)n2C1 ZINC001482760951 1011400336 /nfs/dbraw/zinc/40/03/36/1011400336.db2.gz BIARMIMGRPQGAH-ZFWWWQNUSA-N 2 1 304.394 -0.156 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@H+]1C ZINC001482990858 1011576423 /nfs/dbraw/zinc/57/64/23/1011576423.db2.gz IQNLTMKUQZOLEZ-MEWZEZIVSA-N 2 1 306.410 -0.520 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001483081597 1011672626 /nfs/dbraw/zinc/67/26/26/1011672626.db2.gz APLZXEMLERIERF-ISZGNANSSA-N 2 1 306.410 -0.660 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC001483794943 1012147974 /nfs/dbraw/zinc/14/79/74/1012147974.db2.gz NGKDZXBIUVTDSW-ZDUSSCGKSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234231 1012431697 /nfs/dbraw/zinc/43/16/97/1012431697.db2.gz SYNKNEUDDPEDGR-PBHICJAKSA-N 2 1 316.405 -0.060 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCc3c[nH+]c(C)n3C2)C1 ZINC001484234231 1012431710 /nfs/dbraw/zinc/43/17/10/1012431710.db2.gz SYNKNEUDDPEDGR-PBHICJAKSA-N 2 1 316.405 -0.060 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](C[C@H](C)O)C2)CC1 ZINC001484253622 1012463105 /nfs/dbraw/zinc/46/31/05/1012463105.db2.gz YVLZOEINYKOLHM-WMLDXEAASA-N 2 1 323.437 -0.735 20 30 DBEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001484417710 1012618650 /nfs/dbraw/zinc/61/86/50/1012618650.db2.gz CCOXGKIXFGTVLU-OAHLLOKOSA-N 2 1 310.442 -0.327 20 30 DBEDMP C=CC[NH2+]C1CCN(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001484417710 1012618657 /nfs/dbraw/zinc/61/86/57/1012618657.db2.gz CCOXGKIXFGTVLU-OAHLLOKOSA-N 2 1 310.442 -0.327 20 30 DBEDMP C#CC[N@H+]1CCC[C@@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484446168 1012663900 /nfs/dbraw/zinc/66/39/00/1012663900.db2.gz OPFVKAZQKXEZQV-QGZVFWFLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@@](CO)(NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001484446168 1012663919 /nfs/dbraw/zinc/66/39/19/1012663919.db2.gz OPFVKAZQKXEZQV-QGZVFWFLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497613137 1017443549 /nfs/dbraw/zinc/44/35/49/1017443549.db2.gz XXZHNZGTUCRBNC-DHCBQETCSA-N 2 1 307.398 -0.628 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC(=O)NCC#N ZINC001497613138 1017444024 /nfs/dbraw/zinc/44/40/24/1017444024.db2.gz XXZHNZGTUCRBNC-ITDFMYJTSA-N 2 1 307.398 -0.628 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001497888893 1017539366 /nfs/dbraw/zinc/53/93/66/1017539366.db2.gz AKRDNGFIRZDCEI-QPSCCSFWSA-N 2 1 322.453 -0.051 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001499882220 1018199117 /nfs/dbraw/zinc/19/91/17/1018199117.db2.gz IKTBCXMKGVEXER-OLZOCXBDSA-N 2 1 307.398 -0.699 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001500721854 1018426537 /nfs/dbraw/zinc/42/65/37/1018426537.db2.gz HCNDWPWUSHNPBN-QGZVFWFLSA-N 2 1 323.437 -0.469 20 30 DBEDMP CN1CCO[C@@H](C(=O)NCCN2CCC(NCC#N)CC2)C1 ZINC001501251899 1018611320 /nfs/dbraw/zinc/61/13/20/1018611320.db2.gz XXJCXRNDDGLTLK-CQSZACIVSA-N 2 1 309.414 -0.989 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001502402244 1019042973 /nfs/dbraw/zinc/04/29/73/1019042973.db2.gz ITEQQXHEDMWMQD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001502402244 1019042993 /nfs/dbraw/zinc/04/29/93/1019042993.db2.gz ITEQQXHEDMWMQD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001502402244 1019043010 /nfs/dbraw/zinc/04/30/10/1019043010.db2.gz ITEQQXHEDMWMQD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C ZINC001502402244 1019043029 /nfs/dbraw/zinc/04/30/29/1019043029.db2.gz ITEQQXHEDMWMQD-ILXRZTDVSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001503263435 1019240810 /nfs/dbraw/zinc/24/08/10/1019240810.db2.gz PYJFWHDSMNYWNS-MJBXVCDLSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+][C@@H]1CCNC1=O ZINC001503263435 1019240818 /nfs/dbraw/zinc/24/08/18/1019240818.db2.gz PYJFWHDSMNYWNS-MJBXVCDLSA-N 2 1 306.410 -0.543 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001503445949 1019245599 /nfs/dbraw/zinc/24/55/99/1019245599.db2.gz QAJOWFZMXYEFPD-KKUMJFAQSA-N 2 1 322.453 -0.050 20 30 DBEDMP C[C@@H](CCNC(=O)C[N@H+]1CC[C@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001503473325 1019246742 /nfs/dbraw/zinc/24/67/42/1019246742.db2.gz OMOQRFJMIVNHIP-STQMWFEESA-N 2 1 309.414 -0.548 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456383 1019319253 /nfs/dbraw/zinc/31/92/53/1019319253.db2.gz TVJAGLPOAJDPCZ-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001505456383 1019319269 /nfs/dbraw/zinc/31/92/69/1019319269.db2.gz TVJAGLPOAJDPCZ-LSDHHAIUSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506065539 1019703222 /nfs/dbraw/zinc/70/32/22/1019703222.db2.gz QRMHMRYXHCOBLD-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)[C@H](C)C(=O)NC)CC1 ZINC001506065539 1019703234 /nfs/dbraw/zinc/70/32/34/1019703234.db2.gz QRMHMRYXHCOBLD-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C1 ZINC001507343289 1020296113 /nfs/dbraw/zinc/29/61/13/1020296113.db2.gz XLRBKASOLPBCNS-KBPBESRZSA-N 2 1 308.426 -0.345 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C1 ZINC001507451531 1020330578 /nfs/dbraw/zinc/33/05/78/1020330578.db2.gz UCJVVVYJWOYVBF-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001508114143 1020529082 /nfs/dbraw/zinc/52/90/82/1020529082.db2.gz GMEOKQGAWXPGGZ-RUXDESIVSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC)C1 ZINC001508114143 1020529089 /nfs/dbraw/zinc/52/90/89/1020529089.db2.gz GMEOKQGAWXPGGZ-RUXDESIVSA-N 2 1 306.410 -0.591 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001508192774 1020547375 /nfs/dbraw/zinc/54/73/75/1020547375.db2.gz FLTDFFKGRXNMSV-HNNXBMFYSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001508192774 1020547388 /nfs/dbraw/zinc/54/73/88/1020547388.db2.gz FLTDFFKGRXNMSV-HNNXBMFYSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001508192774 1020547393 /nfs/dbraw/zinc/54/73/93/1020547393.db2.gz FLTDFFKGRXNMSV-HNNXBMFYSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001508192774 1020547399 /nfs/dbraw/zinc/54/73/99/1020547399.db2.gz FLTDFFKGRXNMSV-HNNXBMFYSA-N 2 1 318.421 -0.422 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001580877089 1020812187 /nfs/dbraw/zinc/81/21/87/1020812187.db2.gz GTGJOQYOFSLJLQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(C)C(=O)[C@@H](CC)[NH+](C)C ZINC001580877089 1020812189 /nfs/dbraw/zinc/81/21/89/1020812189.db2.gz GTGJOQYOFSLJLQ-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001583793537 1021004001 /nfs/dbraw/zinc/00/40/01/1021004001.db2.gz LWVKFDWXUNVWBJ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001583793537 1021004010 /nfs/dbraw/zinc/00/40/10/1021004010.db2.gz LWVKFDWXUNVWBJ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001583793537 1021004017 /nfs/dbraw/zinc/00/40/17/1021004017.db2.gz LWVKFDWXUNVWBJ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001583793537 1021004024 /nfs/dbraw/zinc/00/40/24/1021004024.db2.gz LWVKFDWXUNVWBJ-KFWWJZLASA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC(=O)N2CC[NH+](C)CC2)CC1 ZINC001522453204 1021718418 /nfs/dbraw/zinc/71/84/18/1021718418.db2.gz MVJODEIYOIOKGD-UHFFFAOYSA-N 2 1 306.410 -0.778 20 30 DBEDMP C[C@@H](CCN1CC[NH+](C)CC1)NC(=O)NCC#CC[NH+](C)C ZINC001565496645 1024056481 /nfs/dbraw/zinc/05/64/81/1024056481.db2.gz NFDHLTKZACVKBO-HNNXBMFYSA-N 2 1 309.458 -0.123 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001566113871 1024134844 /nfs/dbraw/zinc/13/48/44/1024134844.db2.gz LQTKDCDIENZZNH-RDBSUJKOSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)[C@H]1C ZINC001566113871 1024134868 /nfs/dbraw/zinc/13/48/68/1024134868.db2.gz LQTKDCDIENZZNH-RDBSUJKOSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)[C@H]1C ZINC001566113871 1024134886 /nfs/dbraw/zinc/13/48/86/1024134886.db2.gz LQTKDCDIENZZNH-RDBSUJKOSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001566113871 1024134916 /nfs/dbraw/zinc/13/49/16/1024134916.db2.gz LQTKDCDIENZZNH-RDBSUJKOSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001566113870 1024139800 /nfs/dbraw/zinc/13/98/00/1024139800.db2.gz LQTKDCDIENZZNH-MCIONIFRSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)[C@H]1C ZINC001566113870 1024139812 /nfs/dbraw/zinc/13/98/12/1024139812.db2.gz LQTKDCDIENZZNH-MCIONIFRSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)[C@H]1C ZINC001566113870 1024139834 /nfs/dbraw/zinc/13/98/34/1024139834.db2.gz LQTKDCDIENZZNH-MCIONIFRSA-N 2 1 306.410 -0.734 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)[C@H]1C ZINC001566113870 1024139843 /nfs/dbraw/zinc/13/98/43/1024139843.db2.gz LQTKDCDIENZZNH-MCIONIFRSA-N 2 1 306.410 -0.734 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC001566733411 1024356774 /nfs/dbraw/zinc/35/67/74/1024356774.db2.gz QDRFXWWCPPEYPV-CYBMUJFWSA-N 2 1 318.381 -0.684 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001566766110 1024362511 /nfs/dbraw/zinc/36/25/11/1024362511.db2.gz VNCYNZRRULSKKR-MELADBBJSA-N 2 1 321.425 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC001566863119 1024392060 /nfs/dbraw/zinc/39/20/60/1024392060.db2.gz RQEYHPAYROCAQI-NMWPEEMBSA-N 2 1 320.437 -0.155 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)C1 ZINC001566862323 1024393510 /nfs/dbraw/zinc/39/35/10/1024393510.db2.gz WXWWLGYKUQBFRI-BETUJISGSA-N 2 1 305.382 -0.269 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@H+]1C ZINC001567025072 1024473690 /nfs/dbraw/zinc/47/36/90/1024473690.db2.gz UDVHISNRAHKXSK-KBPBESRZSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001567100368 1024521097 /nfs/dbraw/zinc/52/10/97/1024521097.db2.gz YSEZXNZJZLAISC-KBPBESRZSA-N 2 1 317.393 -0.480 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567203357 1024570387 /nfs/dbraw/zinc/57/03/87/1024570387.db2.gz QXASBNQCHAIUQX-CQSZACIVSA-N 2 1 321.425 -0.355 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001567203357 1024570410 /nfs/dbraw/zinc/57/04/10/1024570410.db2.gz QXASBNQCHAIUQX-CQSZACIVSA-N 2 1 321.425 -0.355 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567373987 1024652502 /nfs/dbraw/zinc/65/25/02/1024652502.db2.gz OTKCWXQYJIVHOT-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001567373987 1024652507 /nfs/dbraw/zinc/65/25/07/1024652507.db2.gz OTKCWXQYJIVHOT-CQSZACIVSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001567418759 1024687301 /nfs/dbraw/zinc/68/73/01/1024687301.db2.gz AIFSQDCZTAGITE-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001567419827 1024690495 /nfs/dbraw/zinc/69/04/95/1024690495.db2.gz VIDUBBZUCPJMKG-CQSZACIVSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419827 1024690502 /nfs/dbraw/zinc/69/05/02/1024690502.db2.gz VIDUBBZUCPJMKG-CQSZACIVSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001567419827 1024690516 /nfs/dbraw/zinc/69/05/16/1024690516.db2.gz VIDUBBZUCPJMKG-CQSZACIVSA-N 2 1 308.426 -0.486 20 30 DBEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001567717391 1024814001 /nfs/dbraw/zinc/81/40/01/1024814001.db2.gz KAZNCHYIKREBCK-INIZCTEOSA-N 2 1 324.469 -0.031 20 30 DBEDMP C=CCC[NH+]1CCN(CCN(C)C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001567717391 1024814003 /nfs/dbraw/zinc/81/40/03/1024814003.db2.gz KAZNCHYIKREBCK-INIZCTEOSA-N 2 1 324.469 -0.031 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C)C1)C(C)C ZINC001568470106 1024908139 /nfs/dbraw/zinc/90/81/39/1024908139.db2.gz HMFLVOVGJGQZAA-ZIAGYGMSSA-N 2 1 310.442 -0.029 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001568849961 1025048558 /nfs/dbraw/zinc/04/85/58/1025048558.db2.gz CXSXAAGBPJVEQL-NFAHFFEMSA-N 2 1 320.437 -0.129 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCCN(C)C(=O)Cn1cc[nH+]c1C ZINC001569266549 1025187491 /nfs/dbraw/zinc/18/74/91/1025187491.db2.gz BEHUDLYVGIBCAS-ZDUSSCGKSA-N 2 1 319.409 -0.232 20 30 DBEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001569297521 1025193471 /nfs/dbraw/zinc/19/34/71/1025193471.db2.gz MBNGTALLCOXHDA-LSDHHAIUSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+]C[C@H](NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001569297521 1025193475 /nfs/dbraw/zinc/19/34/75/1025193475.db2.gz MBNGTALLCOXHDA-LSDHHAIUSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307504 1025196785 /nfs/dbraw/zinc/19/67/85/1025196785.db2.gz JICIGRBSGYGRLZ-GJZGRUSLSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)CC[N@H+](C)CC ZINC001569561241 1025277247 /nfs/dbraw/zinc/27/72/47/1025277247.db2.gz PTWJVMCHROLMEL-CQSZACIVSA-N 2 1 308.426 -0.342 20 30 DBEDMP CC#CC[N@@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001569763662 1025344478 /nfs/dbraw/zinc/34/44/78/1025344478.db2.gz SRSRHBXDGADPHV-INIZCTEOSA-N 2 1 309.410 -0.715 20 30 DBEDMP CC#CC[N@H+]1CC[C@](O)(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001569763662 1025344495 /nfs/dbraw/zinc/34/44/95/1025344495.db2.gz SRSRHBXDGADPHV-INIZCTEOSA-N 2 1 309.410 -0.715 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@H+](CCF)C2)CC1 ZINC001569765547 1025346157 /nfs/dbraw/zinc/34/61/57/1025346157.db2.gz OMVOQLBTRATZIJ-INIZCTEOSA-N 2 1 311.401 -0.146 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@]2(O)CC[N@@H+](CCF)C2)CC1 ZINC001569765547 1025346171 /nfs/dbraw/zinc/34/61/71/1025346171.db2.gz OMVOQLBTRATZIJ-INIZCTEOSA-N 2 1 311.401 -0.146 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163719 1025508828 /nfs/dbraw/zinc/50/88/28/1025508828.db2.gz OINNRHBTECQIDC-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163719 1025508834 /nfs/dbraw/zinc/50/88/34/1025508834.db2.gz OINNRHBTECQIDC-LSDHHAIUSA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)CCO1 ZINC001570163716 1025509918 /nfs/dbraw/zinc/50/99/18/1025509918.db2.gz OINNRHBTECQIDC-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)CCO1 ZINC001570163716 1025509935 /nfs/dbraw/zinc/50/99/35/1025509935.db2.gz OINNRHBTECQIDC-CABCVRRESA-N 2 1 309.410 -0.453 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001570286243 1025559310 /nfs/dbraw/zinc/55/93/10/1025559310.db2.gz YGUNUDPFAFYFGS-DOTOQJQBSA-N 2 1 323.437 -0.591 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@](CO)([NH2+]CCCO)C1 ZINC001570286243 1025559338 /nfs/dbraw/zinc/55/93/38/1025559338.db2.gz YGUNUDPFAFYFGS-DOTOQJQBSA-N 2 1 323.437 -0.591 20 30 DBEDMP COCC#CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001570288738 1025559715 /nfs/dbraw/zinc/55/97/15/1025559715.db2.gz BBOJLBYZTAWSMF-WBVHZDCISA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](CC)CCO2)CC1 ZINC001570427115 1025614308 /nfs/dbraw/zinc/61/43/08/1025614308.db2.gz KSWLNRVIGMSNMO-OAHLLOKOSA-N 2 1 323.437 -0.327 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)CC1 ZINC001570427115 1025614316 /nfs/dbraw/zinc/61/43/16/1025614316.db2.gz KSWLNRVIGMSNMO-OAHLLOKOSA-N 2 1 323.437 -0.327 20 30 DBEDMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449963 1025621270 /nfs/dbraw/zinc/62/12/70/1025621270.db2.gz XULYJPLHEVNFAP-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449963 1025621286 /nfs/dbraw/zinc/62/12/86/1025621286.db2.gz XULYJPLHEVNFAP-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449963 1025621299 /nfs/dbraw/zinc/62/12/99/1025621299.db2.gz XULYJPLHEVNFAP-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC001570449963 1025621312 /nfs/dbraw/zinc/62/13/12/1025621312.db2.gz XULYJPLHEVNFAP-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)Cn2cc[nH+]c2C)C1 ZINC001570581293 1025669214 /nfs/dbraw/zinc/66/92/14/1025669214.db2.gz PBMYMIGEXCRGOI-UHFFFAOYSA-N 2 1 317.393 -0.575 20 30 DBEDMP CC[N@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001570958268 1025804168 /nfs/dbraw/zinc/80/41/68/1025804168.db2.gz MVSRWBPFVWSZKO-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CC[N@@H+](C)CCC(=O)NC[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001570958268 1025804170 /nfs/dbraw/zinc/80/41/70/1025804170.db2.gz MVSRWBPFVWSZKO-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001570958268 1025804174 /nfs/dbraw/zinc/80/41/74/1025804174.db2.gz MVSRWBPFVWSZKO-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP CC[NH+](C)CCC(=O)NC[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001570958268 1025804176 /nfs/dbraw/zinc/80/41/76/1025804176.db2.gz MVSRWBPFVWSZKO-ZSOGYDGISA-N 2 1 321.425 -0.738 20 30 DBEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001571240197 1025885157 /nfs/dbraw/zinc/88/51/57/1025885157.db2.gz BODKRZRGYMRONK-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP COCC#CC[NH2+]CCC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001571240197 1025885161 /nfs/dbraw/zinc/88/51/61/1025885161.db2.gz BODKRZRGYMRONK-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001571699885 1026163284 /nfs/dbraw/zinc/16/32/84/1026163284.db2.gz ILICBSYOIZAEEQ-OAHLLOKOSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001571699885 1026163292 /nfs/dbraw/zinc/16/32/92/1026163292.db2.gz ILICBSYOIZAEEQ-OAHLLOKOSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001571699885 1026163303 /nfs/dbraw/zinc/16/33/03/1026163303.db2.gz ILICBSYOIZAEEQ-OAHLLOKOSA-N 2 1 320.437 -0.011 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001571699885 1026163310 /nfs/dbraw/zinc/16/33/10/1026163310.db2.gz ILICBSYOIZAEEQ-OAHLLOKOSA-N 2 1 320.437 -0.011 20 30 DBEDMP CNC(=O)[C@H](C)C[NH+](C)CC#CC[N@H+](C)C[C@H](C)C(=O)NC ZINC000284255291 335010909 /nfs/dbraw/zinc/01/09/09/335010909.db2.gz WMZJQMHBKLJBQG-OKILXGFUSA-N 2 1 310.442 -0.382 20 30 DBEDMP CNC(=O)[C@H](C)C[N@@H+](C)CC#CC[NH+](C)C[C@H](C)C(=O)NC ZINC000284255291 335010910 /nfs/dbraw/zinc/01/09/10/335010910.db2.gz WMZJQMHBKLJBQG-OKILXGFUSA-N 2 1 310.442 -0.382 20 30 DBEDMP CNC(=O)[C@H](C)C[N@H+](C)CC#CC[NH+](C)C[C@H](C)C(=O)NC ZINC000284255291 335010912 /nfs/dbraw/zinc/01/09/12/335010912.db2.gz WMZJQMHBKLJBQG-OKILXGFUSA-N 2 1 310.442 -0.382 20 30 DBEDMP COC(=O)[C@H]1CC[NH+](CC#CC[N@@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000283935848 335008740 /nfs/dbraw/zinc/00/87/40/335008740.db2.gz CUSJNIAVXGUUNO-KBPBESRZSA-N 2 1 308.378 -0.020 20 30 DBEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000594437707 375930489 /nfs/dbraw/zinc/93/04/89/375930489.db2.gz DJXOAVISRPJKNO-ZIAGYGMSSA-N 2 1 321.425 -0.180 20 30 DBEDMP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000583564856 378418281 /nfs/dbraw/zinc/41/82/81/378418281.db2.gz IAOUWSDWVYNASX-HOTGVXAUSA-N 2 1 312.458 -0.125 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262303891 381625040 /nfs/dbraw/zinc/62/50/40/381625040.db2.gz OWNWLUNZCNINIV-UONOGXRCSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000262303877 381625930 /nfs/dbraw/zinc/62/59/30/381625930.db2.gz OWNWLUNZCNINIV-KBPBESRZSA-N 2 1 308.426 -0.131 20 30 DBEDMP C=CC[NH+]1CCC(NS(=O)(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000631917055 382654258 /nfs/dbraw/zinc/65/42/58/382654258.db2.gz FBBDCNDIRGEGEG-CYBMUJFWSA-N 2 1 303.428 -0.455 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000490650444 393789924 /nfs/dbraw/zinc/78/99/24/393789924.db2.gz NDKRNIJOYNCTGA-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000491651651 393822195 /nfs/dbraw/zinc/82/21/95/393822195.db2.gz IAECUVDVTWGCFE-OAHLLOKOSA-N 2 1 307.442 -0.369 20 30 DBEDMP C#CCNC(=O)CC[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000491651243 393822225 /nfs/dbraw/zinc/82/22/25/393822225.db2.gz FQDPICQSFWEFMN-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCNC(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000491651243 393822226 /nfs/dbraw/zinc/82/22/26/393822226.db2.gz FQDPICQSFWEFMN-AWEZNQCLSA-N 2 1 308.426 -0.342 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](n3cccn3)C2)CC1 ZINC000491726383 393825936 /nfs/dbraw/zinc/82/59/36/393825936.db2.gz GEZFJVOQRMLMEP-HNNXBMFYSA-N 2 1 301.394 -0.093 20 30 DBEDMP C#CCN1CCN(C(=O)CN2CC[C@H](n3cccn3)C2)CC1 ZINC000491726383 393825939 /nfs/dbraw/zinc/82/59/39/393825939.db2.gz GEZFJVOQRMLMEP-HNNXBMFYSA-N 2 1 301.394 -0.093 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@@H+](CCO)[C@@H]2CCO[C@@H]2C)CC1 ZINC000491753709 393828911 /nfs/dbraw/zinc/82/89/11/393828911.db2.gz PGWJAIGHBJOPTO-HUUCEWRRSA-N 2 1 309.410 -0.765 20 30 DBEDMP C#CCN1CCN(C(=O)C[N@H+](CCO)[C@@H]2CCO[C@@H]2C)CC1 ZINC000491753709 393828916 /nfs/dbraw/zinc/82/89/16/393828916.db2.gz PGWJAIGHBJOPTO-HUUCEWRRSA-N 2 1 309.410 -0.765 20 30 DBEDMP C[NH+]=C(NCCN1CCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261725644 275405703 /nfs/dbraw/zinc/40/57/03/275405703.db2.gz LDZMXXGZERMMQF-OAHLLOKOSA-N 2 1 309.458 -0.078 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430665898 338110822 /nfs/dbraw/zinc/11/08/22/338110822.db2.gz NOCJEMGFUOHFMS-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2[C@H]3C[N@@H+](CC(N)=O)C[C@H]32)CC1 ZINC000979090217 665600816 /nfs/dbraw/zinc/60/08/16/665600816.db2.gz OVBIMYFAHXRGQB-QKDCVEJESA-N 2 1 318.421 -0.889 20 30 DBEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970189376 663939207 /nfs/dbraw/zinc/93/92/07/663939207.db2.gz DQYAHLNDIOOWLS-XOSUWLCWSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970189376 663939210 /nfs/dbraw/zinc/93/92/10/663939210.db2.gz DQYAHLNDIOOWLS-XOSUWLCWSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC000970189375 663939435 /nfs/dbraw/zinc/93/94/35/663939435.db2.gz DQYAHLNDIOOWLS-RZZRIIHNSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC000970189375 663939438 /nfs/dbraw/zinc/93/94/38/663939438.db2.gz DQYAHLNDIOOWLS-RZZRIIHNSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676170 664236358 /nfs/dbraw/zinc/23/63/58/664236358.db2.gz CKNZCFAZHYPYEO-HUUCEWRRSA-N 2 1 303.410 -0.021 20 30 DBEDMP C#CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC000971676170 664236367 /nfs/dbraw/zinc/23/63/67/664236367.db2.gz CKNZCFAZHYPYEO-HUUCEWRRSA-N 2 1 303.410 -0.021 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+][C@H]2C[C@@H](NC(=O)[C@H]3CC[N@H+](C)C3)C2)C1=O ZINC001023086247 664440260 /nfs/dbraw/zinc/44/02/60/664440260.db2.gz GBVFEGKPUNYNPV-BYNSBNAKSA-N 2 1 320.437 -0.038 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CCN(C)CC1 ZINC000170912766 665056874 /nfs/dbraw/zinc/05/68/74/665056874.db2.gz QBJPRVFOHNNAQG-CQSZACIVSA-N 2 1 324.473 -0.461 20 30 DBEDMP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912766 665056875 /nfs/dbraw/zinc/05/68/75/665056875.db2.gz QBJPRVFOHNNAQG-CQSZACIVSA-N 3 1 324.473 -0.461 20 30 DBEDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC(=O)N1CC[NH+](C)CC1 ZINC000170912766 665056880 /nfs/dbraw/zinc/05/68/80/665056880.db2.gz QBJPRVFOHNNAQG-CQSZACIVSA-N 3 1 324.473 -0.461 20 30 DBEDMP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)NCC#CC[NH+](C)C)C1 ZINC000913525455 674801670 /nfs/dbraw/zinc/80/16/70/674801670.db2.gz YCVPTAUWYAVHRL-CQSZACIVSA-N 2 1 309.410 -0.057 20 30 DBEDMP CCOC(=O)[C@@H]1CCC[N@@H+](CC(=O)NCC#CC[NH+](C)C)C1 ZINC000913525455 674801671 /nfs/dbraw/zinc/80/16/71/674801671.db2.gz YCVPTAUWYAVHRL-CQSZACIVSA-N 2 1 309.410 -0.057 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CC(=O)N(C)C)C1 ZINC001028601225 670883851 /nfs/dbraw/zinc/88/38/51/670883851.db2.gz LLYRVCJQMOGPBU-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CC(=O)N(C)C)C1 ZINC001028601225 670883852 /nfs/dbraw/zinc/88/38/52/670883852.db2.gz LLYRVCJQMOGPBU-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001028601225 670883853 /nfs/dbraw/zinc/88/38/53/670883853.db2.gz LLYRVCJQMOGPBU-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CC(=O)N(C)C)C1 ZINC001028601225 670883854 /nfs/dbraw/zinc/88/38/54/670883854.db2.gz LLYRVCJQMOGPBU-GJZGRUSLSA-N 2 1 320.437 -0.390 20 30 DBEDMP C[NH+]=C(NC[C@@H]1CN2CCN1CC2)NC1CC[NH+](C2CC2)CC1 ZINC000261913853 671042476 /nfs/dbraw/zinc/04/24/76/671042476.db2.gz HVKONJDFIJOJRY-MRXNPFEDSA-N 2 1 320.485 -0.222 20 30 DBEDMP C[NH+]=C(NCCN1CCOCC1)N[C@H]1CCn2cc[nH+]c2C1 ZINC000262491707 671465079 /nfs/dbraw/zinc/46/50/79/671465079.db2.gz XKVLOZWFKWTLIT-ZDUSSCGKSA-N 2 1 306.414 -0.305 20 30 DBEDMP C[NH+]=C(NCCN1CCCCC1)NC[C@@H]1C[NH+]2CCN1CC2 ZINC000262757792 671572535 /nfs/dbraw/zinc/57/25/35/671572535.db2.gz CAEAHTYSKFOVJB-OAHLLOKOSA-N 2 1 308.474 -0.363 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)C(N)=O)C1 ZINC001030019191 671855026 /nfs/dbraw/zinc/85/50/26/671855026.db2.gz HZRAYNDTZVZULR-RDBSUJKOSA-N 2 1 306.410 -0.462 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000941345595 677788077 /nfs/dbraw/zinc/78/80/77/677788077.db2.gz YOMUKFFLTDGIQF-INIZCTEOSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941345595 677788081 /nfs/dbraw/zinc/78/80/81/677788081.db2.gz YOMUKFFLTDGIQF-INIZCTEOSA-N 2 1 304.438 -0.068 20 30 DBEDMP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[N@H+](C)C3)nn2)C1 ZINC001000043363 678793303 /nfs/dbraw/zinc/79/33/03/678793303.db2.gz KEPKOCAILVZARE-ZFWWWQNUSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043363 678793306 /nfs/dbraw/zinc/79/33/06/678793306.db2.gz KEPKOCAILVZARE-ZFWWWQNUSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)C3)nn2)C1 ZINC001000043363 678793308 /nfs/dbraw/zinc/79/33/08/678793308.db2.gz KEPKOCAILVZARE-ZFWWWQNUSA-N 2 1 316.409 -0.274 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845221119 805692175 /nfs/dbraw/zinc/69/21/75/805692175.db2.gz QAHTVWJZHIRFMB-UHFFFAOYSA-N 2 1 323.441 -0.643 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001316658684 805974620 /nfs/dbraw/zinc/97/46/20/805974620.db2.gz MHAAREWJXJURSN-RRFJBIMHSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC001316828459 805997848 /nfs/dbraw/zinc/99/78/48/805997848.db2.gz DUGLCWVVUUYGLQ-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)[C@@H]1CCNC1=O ZINC001316828459 805997851 /nfs/dbraw/zinc/99/78/51/805997851.db2.gz DUGLCWVVUUYGLQ-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H]1CCNC1=O ZINC001316828459 805997858 /nfs/dbraw/zinc/99/78/58/805997858.db2.gz DUGLCWVVUUYGLQ-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H]1CCNC1=O ZINC001316828459 805997864 /nfs/dbraw/zinc/99/78/64/805997864.db2.gz DUGLCWVVUUYGLQ-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)C1CC1 ZINC001317011793 806069158 /nfs/dbraw/zinc/06/91/58/806069158.db2.gz LWQIHLJYUIRQFY-GJZGRUSLSA-N 2 1 309.410 -0.549 20 30 DBEDMP COCC#CC[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001317011793 806069167 /nfs/dbraw/zinc/06/91/67/806069167.db2.gz LWQIHLJYUIRQFY-GJZGRUSLSA-N 2 1 309.410 -0.549 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001317059392 806078509 /nfs/dbraw/zinc/07/85/09/806078509.db2.gz LQLZXCPVFHGRFR-ZDUSSCGKSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001317113373 806090735 /nfs/dbraw/zinc/09/07/35/806090735.db2.gz MUVIJZOZIJHSRY-MQYQWHSLSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)C(=O)NC)C1 ZINC001317113373 806090745 /nfs/dbraw/zinc/09/07/45/806090745.db2.gz MUVIJZOZIJHSRY-MQYQWHSLSA-N 2 1 306.410 -0.545 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001317112475 806090805 /nfs/dbraw/zinc/09/08/05/806090805.db2.gz MPIOLRMZYCSUKV-QLFBSQMISA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001317127157 806093620 /nfs/dbraw/zinc/09/36/20/806093620.db2.gz DIHIBVSRBGTXJM-QLFBSQMISA-N 2 1 320.437 -0.153 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C1CCC1 ZINC001317503519 806170189 /nfs/dbraw/zinc/17/01/89/806170189.db2.gz ZRVYJJHIJOBMDW-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CCC[C@@H]1CNC(=O)C[N@H+](C)C1CCC1 ZINC001317503519 806170191 /nfs/dbraw/zinc/17/01/91/806170191.db2.gz ZRVYJJHIJOBMDW-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317503519 806170194 /nfs/dbraw/zinc/17/01/94/806170194.db2.gz ZRVYJJHIJOBMDW-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001317503519 806170197 /nfs/dbraw/zinc/17/01/97/806170197.db2.gz ZRVYJJHIJOBMDW-OAHLLOKOSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317508992 806171193 /nfs/dbraw/zinc/17/11/93/806171193.db2.gz KZSJGMCGDSEKFB-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001317508992 806171196 /nfs/dbraw/zinc/17/11/96/806171196.db2.gz KZSJGMCGDSEKFB-KBPBESRZSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001317536805 806181218 /nfs/dbraw/zinc/18/12/18/806181218.db2.gz YMLLDFSHMWFRKW-KGLIPLIRSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317536805 806181224 /nfs/dbraw/zinc/18/12/24/806181224.db2.gz YMLLDFSHMWFRKW-KGLIPLIRSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317536805 806181231 /nfs/dbraw/zinc/18/12/31/806181231.db2.gz YMLLDFSHMWFRKW-KGLIPLIRSA-N 2 1 306.410 -0.874 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)C[N@H+](C)C(C)C)C1 ZINC001317812238 806234236 /nfs/dbraw/zinc/23/42/36/806234236.db2.gz WPJHKMZFEVKCLB-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317812238 806234240 /nfs/dbraw/zinc/23/42/40/806234240.db2.gz WPJHKMZFEVKCLB-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)C[NH+](C)C(C)C)C1 ZINC001317812238 806234247 /nfs/dbraw/zinc/23/42/47/806234247.db2.gz WPJHKMZFEVKCLB-HNNXBMFYSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C[NH2+]CC(=O)NCC#N ZINC001319243345 806356156 /nfs/dbraw/zinc/35/61/56/806356156.db2.gz CUGFOBHRQQKHOV-CHWSQXEVSA-N 2 1 309.414 -0.690 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCCC1 ZINC001319360832 806372771 /nfs/dbraw/zinc/37/27/71/806372771.db2.gz BBWBTRQWTIYLHA-AWEZNQCLSA-N 2 1 320.437 -0.151 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NC)CCCC1 ZINC001319360832 806372783 /nfs/dbraw/zinc/37/27/83/806372783.db2.gz BBWBTRQWTIYLHA-AWEZNQCLSA-N 2 1 320.437 -0.151 20 30 DBEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589753 806394076 /nfs/dbraw/zinc/39/40/76/806394076.db2.gz MGNJVTOLTQDPIG-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589753 806394085 /nfs/dbraw/zinc/39/40/85/806394085.db2.gz MGNJVTOLTQDPIG-CABCVRRESA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589756 806394685 /nfs/dbraw/zinc/39/46/85/806394685.db2.gz MGNJVTOLTQDPIG-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC#CCOC)C1 ZINC001319589756 806394693 /nfs/dbraw/zinc/39/46/93/806394693.db2.gz MGNJVTOLTQDPIG-LSDHHAIUSA-N 2 1 311.426 -0.207 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)C(C)C ZINC001319942468 806421237 /nfs/dbraw/zinc/42/12/37/806421237.db2.gz BBYYCYSBKHTMMW-HUUCEWRRSA-N 2 1 322.453 -0.192 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710113 806449919 /nfs/dbraw/zinc/44/99/19/806449919.db2.gz VSZDUPKVTFVWGJ-XQHKEYJVSA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710113 806449928 /nfs/dbraw/zinc/44/99/28/806449928.db2.gz VSZDUPKVTFVWGJ-XQHKEYJVSA-N 2 1 308.382 -0.456 20 30 DBEDMP C=CCN1CC[C@@H]([N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711809 806452083 /nfs/dbraw/zinc/45/20/83/806452083.db2.gz NZGGPHDUWBBNTD-SYQHCUMBSA-N 2 1 320.393 -0.360 20 30 DBEDMP C=CCN1CC[C@@H]([N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C1=O ZINC000866711809 806452086 /nfs/dbraw/zinc/45/20/86/806452086.db2.gz NZGGPHDUWBBNTD-SYQHCUMBSA-N 2 1 320.393 -0.360 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC001320263545 806465258 /nfs/dbraw/zinc/46/52/58/806465258.db2.gz NOVGTKQRQOAZGC-KKUMJFAQSA-N 2 1 311.426 -0.567 20 30 DBEDMP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001321249088 806594414 /nfs/dbraw/zinc/59/44/14/806594414.db2.gz HYSOVNCGVOSQKE-NNTXTVRGSA-N 2 1 306.410 -0.660 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001321842001 806678306 /nfs/dbraw/zinc/67/83/06/806678306.db2.gz KEDDPRJVHJUZJY-QWHCGFSZSA-N 2 1 309.414 -0.407 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182012 806718011 /nfs/dbraw/zinc/71/80/11/806718011.db2.gz CXHKGTINBJLZPO-HIFRSBDPSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC001322182012 806718015 /nfs/dbraw/zinc/71/80/15/806718015.db2.gz CXHKGTINBJLZPO-HIFRSBDPSA-N 2 1 310.442 -0.242 20 30 DBEDMP C[C@@H](C[N@H+](C)CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322230937 806724111 /nfs/dbraw/zinc/72/41/11/806724111.db2.gz PDYLYGLAOPYXEV-LBPRGKRZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@@H](C[N@@H+](C)CC(=O)NCC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC001322230937 806724117 /nfs/dbraw/zinc/72/41/17/806724117.db2.gz PDYLYGLAOPYXEV-LBPRGKRZSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322549037 806751606 /nfs/dbraw/zinc/75/16/06/806751606.db2.gz JJEWPFCAHPFDIT-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H]1CCN(C)C1=O ZINC001322549037 806751611 /nfs/dbraw/zinc/75/16/11/806751611.db2.gz JJEWPFCAHPFDIT-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)C1 ZINC001324273132 806958385 /nfs/dbraw/zinc/95/83/85/806958385.db2.gz HHCBVXOCXOBADF-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC#CCOC)C1 ZINC001324273132 806958387 /nfs/dbraw/zinc/95/83/87/806958387.db2.gz HHCBVXOCXOBADF-JKSUJKDBSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001277997907 803739817 /nfs/dbraw/zinc/73/98/17/803739817.db2.gz VOZKTAZJOBMOSI-ZIAGYGMSSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC[NH+](CC(=O)NC)CC1 ZINC001278183852 803765590 /nfs/dbraw/zinc/76/55/90/803765590.db2.gz DCXAJKOPKYDTGD-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@H]([NH2+]CC(=O)NCC#N)C[C@H]1C ZINC001278423990 803791455 /nfs/dbraw/zinc/79/14/55/803791455.db2.gz MYCQNZPSVPSMAV-CHWSQXEVSA-N 2 1 309.414 -0.455 20 30 DBEDMP C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000128901940 803812866 /nfs/dbraw/zinc/81/28/66/803812866.db2.gz JRPQEEKOMSMMMZ-WDEREUQCSA-N 2 1 317.459 -0.674 20 30 DBEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCC(=O)N1CCCCC1 ZINC000303907463 803836568 /nfs/dbraw/zinc/83/65/68/803836568.db2.gz WVOPAOHWRYVALR-UHFFFAOYSA-N 2 1 311.430 -0.375 20 30 DBEDMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=[NH2+])N1CCOCC1 ZINC000303977688 803836782 /nfs/dbraw/zinc/83/67/82/803836782.db2.gz LMGBFOSEIPHILN-ZDUSSCGKSA-N 2 1 311.430 -0.424 20 30 DBEDMP CC1(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)OCCO1 ZINC000305812181 803837870 /nfs/dbraw/zinc/83/78/70/803837870.db2.gz JYDXGWZOTCLIMN-UHFFFAOYSA-N 2 1 300.403 -0.234 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001278882281 803856364 /nfs/dbraw/zinc/85/63/64/803856364.db2.gz DDSGDVBRLNGTEA-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001278882281 803856374 /nfs/dbraw/zinc/85/63/74/803856374.db2.gz DDSGDVBRLNGTEA-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001278882281 803856385 /nfs/dbraw/zinc/85/63/85/803856385.db2.gz DDSGDVBRLNGTEA-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001278882281 803856392 /nfs/dbraw/zinc/85/63/92/803856392.db2.gz DDSGDVBRLNGTEA-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC(=O)NCC#N)C1 ZINC001279029170 803869493 /nfs/dbraw/zinc/86/94/93/803869493.db2.gz AVROCSYRDTYQRZ-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001279529127 803897558 /nfs/dbraw/zinc/89/75/58/803897558.db2.gz JXPCDTGXVQFHQY-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[NH+]1CCC[C@@](CO)(NC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001279529127 803897569 /nfs/dbraw/zinc/89/75/69/803897569.db2.gz JXPCDTGXVQFHQY-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001279529127 803897578 /nfs/dbraw/zinc/89/75/78/803897578.db2.gz JXPCDTGXVQFHQY-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H]2C[NH+](CC)CCO2)C1 ZINC001279529127 803897587 /nfs/dbraw/zinc/89/75/87/803897587.db2.gz JXPCDTGXVQFHQY-NVXWUHKLSA-N 2 1 323.437 -0.327 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC(=O)NCC#N)C2)C1 ZINC001280296375 803944803 /nfs/dbraw/zinc/94/48/03/803944803.db2.gz NHHMJEFGLAEUQM-UONOGXRCSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001280884318 804032582 /nfs/dbraw/zinc/03/25/82/804032582.db2.gz ZFIDLWZIMICGAJ-CABCVRRESA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001280884318 804032592 /nfs/dbraw/zinc/03/25/92/804032592.db2.gz ZFIDLWZIMICGAJ-CABCVRRESA-N 2 1 322.453 -0.144 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001280884318 804032596 /nfs/dbraw/zinc/03/25/96/804032596.db2.gz ZFIDLWZIMICGAJ-CABCVRRESA-N 2 1 322.453 -0.144 20 30 DBEDMP C=CC[NH2+]CC1(O)CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001281633779 804198359 /nfs/dbraw/zinc/19/83/59/804198359.db2.gz AOQAJSFKQHUDEX-UHFFFAOYSA-N 2 1 311.426 -0.162 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967265 804238822 /nfs/dbraw/zinc/23/88/22/804238822.db2.gz GHEGJVFNNSKPGL-OAHLLOKOSA-N 2 1 320.437 -0.246 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001281967265 804238831 /nfs/dbraw/zinc/23/88/31/804238831.db2.gz GHEGJVFNNSKPGL-OAHLLOKOSA-N 2 1 320.437 -0.246 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392174 804272218 /nfs/dbraw/zinc/27/22/18/804272218.db2.gz WXUFLAQYDNKOER-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392174 804272219 /nfs/dbraw/zinc/27/22/19/804272219.db2.gz WXUFLAQYDNKOER-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282392174 804272227 /nfs/dbraw/zinc/27/22/27/804272227.db2.gz WXUFLAQYDNKOER-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@@H]1C(=O)NC[C@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282392174 804272234 /nfs/dbraw/zinc/27/22/34/804272234.db2.gz WXUFLAQYDNKOER-UONOGXRCSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392173 804272714 /nfs/dbraw/zinc/27/27/14/804272714.db2.gz WXUFLAQYDNKOER-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC(=O)NCC#N ZINC001282392173 804272720 /nfs/dbraw/zinc/27/27/20/804272720.db2.gz WXUFLAQYDNKOER-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N ZINC001282392173 804272728 /nfs/dbraw/zinc/27/27/28/804272728.db2.gz WXUFLAQYDNKOER-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC(C)[NH+]1CCC[C@H]1C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N ZINC001282392173 804272736 /nfs/dbraw/zinc/27/27/36/804272736.db2.gz WXUFLAQYDNKOER-KGLIPLIRSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@H+]3CCN2CCC3)CC1 ZINC000764327091 804281514 /nfs/dbraw/zinc/28/15/14/804281514.db2.gz PVQLTJUIIJYILP-INIZCTEOSA-N 2 1 304.438 -0.020 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001282454568 804285499 /nfs/dbraw/zinc/28/54/99/804285499.db2.gz DLXCRANXYJUSFE-TZMCWYRMSA-N 2 1 311.430 -0.351 20 30 DBEDMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)CC(=O)NCC#N)[NH+](C)C ZINC001282454568 804285509 /nfs/dbraw/zinc/28/55/09/804285509.db2.gz DLXCRANXYJUSFE-TZMCWYRMSA-N 2 1 311.430 -0.351 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001282872588 804324238 /nfs/dbraw/zinc/32/42/38/804324238.db2.gz AQRVNHIINIIHHY-ZQDZILKHSA-N 2 1 320.437 -0.630 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCC[N@H+]1C ZINC001282949046 804354889 /nfs/dbraw/zinc/35/48/89/804354889.db2.gz YUSGPCBDBZJBJV-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001282949046 804354897 /nfs/dbraw/zinc/35/48/97/804354897.db2.gz YUSGPCBDBZJBJV-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001282949046 804354900 /nfs/dbraw/zinc/35/49/00/804354900.db2.gz YUSGPCBDBZJBJV-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCNC(=O)[C@H]1CCC[NH+]1C ZINC001282949046 804354911 /nfs/dbraw/zinc/35/49/11/804354911.db2.gz YUSGPCBDBZJBJV-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001283101935 804414759 /nfs/dbraw/zinc/41/47/59/804414759.db2.gz DJBSKXGYITZAEM-AJNGGQMLSA-N 2 1 320.437 -0.440 20 30 DBEDMP COCC#CC[NH2+]C[C@H](O)CN(C)C(=O)Cn1c[nH+]cc1C ZINC001284431920 804704262 /nfs/dbraw/zinc/70/42/62/804704262.db2.gz JTZGRXPXSYCRQS-AWEZNQCLSA-N 2 1 308.382 -0.750 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001284507854 804724553 /nfs/dbraw/zinc/72/45/53/804724553.db2.gz APFMHAHKTQIWDE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001284507854 804724561 /nfs/dbraw/zinc/72/45/61/804724561.db2.gz APFMHAHKTQIWDE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCC[N@H+]1C ZINC001284507854 804724566 /nfs/dbraw/zinc/72/45/66/804724566.db2.gz APFMHAHKTQIWDE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@@H]1CCC[NH+]1C ZINC001284507854 804724578 /nfs/dbraw/zinc/72/45/78/804724578.db2.gz APFMHAHKTQIWDE-GJZGRUSLSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCN1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001284507852 804724673 /nfs/dbraw/zinc/72/46/73/804724673.db2.gz APFMHAHKTQIWDE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCC[N@@H+]1C ZINC001284507852 804724677 /nfs/dbraw/zinc/72/46/77/804724677.db2.gz APFMHAHKTQIWDE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCC[N@H+]1C ZINC001284507852 804724682 /nfs/dbraw/zinc/72/46/82/804724682.db2.gz APFMHAHKTQIWDE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)[C@H]1CCC[NH+]1C ZINC001284507852 804724688 /nfs/dbraw/zinc/72/46/88/804724688.db2.gz APFMHAHKTQIWDE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC001284536807 804732107 /nfs/dbraw/zinc/73/21/07/804732107.db2.gz JWTPOQFDOJXFCK-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[N@H+](C)C(C)C ZINC001284536807 804732112 /nfs/dbraw/zinc/73/21/12/804732112.db2.gz JWTPOQFDOJXFCK-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+](C)C(C)C ZINC001284536807 804732116 /nfs/dbraw/zinc/73/21/16/804732116.db2.gz JWTPOQFDOJXFCK-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)C[NH+](C)C(C)C ZINC001284536807 804732122 /nfs/dbraw/zinc/73/21/22/804732122.db2.gz JWTPOQFDOJXFCK-HNNXBMFYSA-N 2 1 322.453 -0.001 20 30 DBEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001284877965 804782533 /nfs/dbraw/zinc/78/25/33/804782533.db2.gz JLSHXXYWXYZXIS-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CC#CC[NH2+]CCOCCN(C)C(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001284877965 804782538 /nfs/dbraw/zinc/78/25/38/804782538.db2.gz JLSHXXYWXYZXIS-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP N#C[C@H]1C[NH2+]CC12CC(C(=O)NC[C@H]1C[N@H+]3CCN1CCC3)C2 ZINC000884413545 807049293 /nfs/dbraw/zinc/04/92/93/807049293.db2.gz WGIQQFVBEJGCRX-GWUWNPHMSA-N 2 1 317.437 -0.368 20 30 DBEDMP C#CC[N@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325141742 807039811 /nfs/dbraw/zinc/03/98/11/807039811.db2.gz OEZPVELRNZKFLM-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CC[N@@H+]1CC[C@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325141742 807039818 /nfs/dbraw/zinc/03/98/18/807039818.db2.gz OEZPVELRNZKFLM-KRWDZBQOSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CC[N@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325141743 807039895 /nfs/dbraw/zinc/03/98/95/807039895.db2.gz OEZPVELRNZKFLM-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP C#CC[N@@H+]1CC[C@@](O)(CNC(=O)CCCC[NH+]2CCOCC2)C1 ZINC001325141743 807039903 /nfs/dbraw/zinc/03/99/03/807039903.db2.gz OEZPVELRNZKFLM-QGZVFWFLSA-N 2 1 323.437 -0.325 20 30 DBEDMP CCC[NH+](C)CC(=O)NC[C@]1(O)CC[N@@H+](CC#CCOC)C1 ZINC001325152631 807042061 /nfs/dbraw/zinc/04/20/61/807042061.db2.gz AREBXQLMGIAZQN-MRXNPFEDSA-N 2 1 311.426 -0.469 20 30 DBEDMP COCC#CC[NH2+]CCN(CCO)C(=O)Cn1c[nH+]cc1C ZINC001326064096 807140382 /nfs/dbraw/zinc/14/03/82/807140382.db2.gz RGBGIZLDBVAXRA-UHFFFAOYSA-N 2 1 308.382 -0.748 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)CCCN(C)C(=O)C[NH+]1CCCC1 ZINC001327290616 807255562 /nfs/dbraw/zinc/25/55/62/807255562.db2.gz HPKZPYYQOGRHKU-UHFFFAOYSA-N 2 1 308.426 -0.388 20 30 DBEDMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@H+](C)CC(=O)NCC#N ZINC001329532519 807583292 /nfs/dbraw/zinc/58/32/92/807583292.db2.gz QDZAAMIXUKZENH-GFCCVEGCSA-N 2 1 309.414 -0.596 20 30 DBEDMP C[C@H](CNC(=O)C1CC[NH+](C)CC1)[N@@H+](C)CC(=O)NCC#N ZINC001329532519 807583297 /nfs/dbraw/zinc/58/32/97/807583297.db2.gz QDZAAMIXUKZENH-GFCCVEGCSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[N@@H+](C)CC)C1 ZINC001330070995 807669133 /nfs/dbraw/zinc/66/91/33/807669133.db2.gz MONHHGBAJNVTRP-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)CC)C1 ZINC001330070995 807669138 /nfs/dbraw/zinc/66/91/38/807669138.db2.gz MONHHGBAJNVTRP-UONOGXRCSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332361003 807905096 /nfs/dbraw/zinc/90/50/96/807905096.db2.gz KHCVYFFPPBBTKA-KBPBESRZSA-N 2 1 320.437 -0.343 20 30 DBEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931486108 807922672 /nfs/dbraw/zinc/92/26/72/807922672.db2.gz MGHPGNZJSFRFLA-GFCCVEGCSA-N 2 1 312.414 -0.225 20 30 DBEDMP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332677215 807964995 /nfs/dbraw/zinc/96/49/95/807964995.db2.gz IHBGSUHDVNJKOB-HNNXBMFYSA-N 2 1 322.409 -0.408 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001332677215 807965000 /nfs/dbraw/zinc/96/50/00/807965000.db2.gz IHBGSUHDVNJKOB-HNNXBMFYSA-N 2 1 322.409 -0.408 20 30 DBEDMP CN(CCC#N)C[C@H](O)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC001335369263 808282647 /nfs/dbraw/zinc/28/26/47/808282647.db2.gz UCWXXQWTVWUNSA-MRXNPFEDSA-N 2 1 311.474 -0.190 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](O)C1 ZINC000958077584 809761170 /nfs/dbraw/zinc/76/11/70/809761170.db2.gz WQNYHJMDIAMTMN-UKRRQHHQSA-N 2 1 321.425 -0.347 20 30 DBEDMP C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000958598596 809973972 /nfs/dbraw/zinc/97/39/72/809973972.db2.gz KLGMRZDNSZCIQH-WFASDCNBSA-N 2 1 302.378 -0.197 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961283904 810260122 /nfs/dbraw/zinc/26/01/22/810260122.db2.gz QPIRXNQUELIDLS-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961283904 810260126 /nfs/dbraw/zinc/26/01/26/810260126.db2.gz QPIRXNQUELIDLS-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961283904 810260130 /nfs/dbraw/zinc/26/01/30/810260130.db2.gz QPIRXNQUELIDLS-GTHOZQOVSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000961283914 810260375 /nfs/dbraw/zinc/26/03/75/810260375.db2.gz QPIRXNQUELIDLS-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC000961283914 810260383 /nfs/dbraw/zinc/26/03/83/810260383.db2.gz QPIRXNQUELIDLS-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CCC[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC000961283914 810260387 /nfs/dbraw/zinc/26/03/87/810260387.db2.gz QPIRXNQUELIDLS-ZBKZBXIDSA-N 2 1 315.417 -0.081 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018986351 814039756 /nfs/dbraw/zinc/03/97/56/814039756.db2.gz ZLDCRLKXXFCUCR-MJBXVCDLSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@@H]2CCNC2=O)C1 ZINC001018986351 814039764 /nfs/dbraw/zinc/03/97/64/814039764.db2.gz ZLDCRLKXXFCUCR-MJBXVCDLSA-N 2 1 304.394 -0.837 20 30 DBEDMP C#CC[NH+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001046082999 816753952 /nfs/dbraw/zinc/75/39/52/816753952.db2.gz ZVVFPNPXDBPOGK-CVEARBPZSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082999 816753958 /nfs/dbraw/zinc/75/39/58/816753958.db2.gz ZVVFPNPXDBPOGK-CVEARBPZSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001046082999 816753962 /nfs/dbraw/zinc/75/39/62/816753962.db2.gz ZVVFPNPXDBPOGK-CVEARBPZSA-N 2 1 304.438 -0.210 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)C[C@@H]1n1ccnn1 ZINC001070158572 820410382 /nfs/dbraw/zinc/41/03/82/820410382.db2.gz PXRCSMCLYPSZJU-RDBSUJKOSA-N 2 1 302.382 -0.653 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165241 820413035 /nfs/dbraw/zinc/41/30/35/820413035.db2.gz KEECOEDFVBNCOV-HZSPNIEDSA-N 2 1 320.397 -0.864 20 30 DBEDMP C=CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001070165241 820413042 /nfs/dbraw/zinc/41/30/42/820413042.db2.gz KEECOEDFVBNCOV-HZSPNIEDSA-N 2 1 320.397 -0.864 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1n1ccnn1 ZINC001070208882 820425284 /nfs/dbraw/zinc/42/52/84/820425284.db2.gz BPONOBJKXYQUCY-CABCVRRESA-N 2 1 316.409 -0.263 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)C[C@@H]1n1ccnn1 ZINC001070275374 820439424 /nfs/dbraw/zinc/43/94/24/820439424.db2.gz IXUVUUPKUMYBMY-ZNMIVQPWSA-N 2 1 316.409 -0.405 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014345 821967775 /nfs/dbraw/zinc/96/77/75/821967775.db2.gz RHPGNVQUQZIFCG-ZIAGYGMSSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014345 821967783 /nfs/dbraw/zinc/96/77/83/821967783.db2.gz RHPGNVQUQZIFCG-ZIAGYGMSSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001077014222 821968206 /nfs/dbraw/zinc/96/82/06/821968206.db2.gz JWZZAKWUHJRMJU-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001273936463 832989704 /nfs/dbraw/zinc/98/97/04/832989704.db2.gz OGNCZVMHJZVREX-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[NH2+][C@@]1(CO)CCCN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001273936463 832989710 /nfs/dbraw/zinc/98/97/10/832989710.db2.gz OGNCZVMHJZVREX-ZBFHGGJFSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418333 822106975 /nfs/dbraw/zinc/10/69/75/822106975.db2.gz NVJHWTJNWQIFCN-WBDXWENLSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001077418333 822106980 /nfs/dbraw/zinc/10/69/80/822106980.db2.gz NVJHWTJNWQIFCN-WBDXWENLSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001077418333 822106984 /nfs/dbraw/zinc/10/69/84/822106984.db2.gz NVJHWTJNWQIFCN-WBDXWENLSA-N 2 1 307.394 -0.803 20 30 DBEDMP C=CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001077418333 822106991 /nfs/dbraw/zinc/10/69/91/822106991.db2.gz NVJHWTJNWQIFCN-WBDXWENLSA-N 2 1 307.394 -0.803 20 30 DBEDMP C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001080164427 824007730 /nfs/dbraw/zinc/00/77/30/824007730.db2.gz ASCGZGUGFIRWSU-RJZXRHAOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001080164427 824007735 /nfs/dbraw/zinc/00/77/35/824007735.db2.gz ASCGZGUGFIRWSU-RJZXRHAOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001080164427 824007748 /nfs/dbraw/zinc/00/77/48/824007748.db2.gz ASCGZGUGFIRWSU-RJZXRHAOSA-N 2 1 303.406 -0.081 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](C[C@@H](C)O)C[C@H]2OC)CC1 ZINC001082384337 824433871 /nfs/dbraw/zinc/43/38/71/824433871.db2.gz QIRXDXLZAZLCQT-FVQBIDKESA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655042 824713783 /nfs/dbraw/zinc/71/37/83/824713783.db2.gz SBNQDGIUGYYBLD-CLPSQLOGSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655042 824713791 /nfs/dbraw/zinc/71/37/91/824713791.db2.gz SBNQDGIUGYYBLD-CLPSQLOGSA-N 2 1 319.405 -0.966 20 30 DBEDMP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)[C@@H](O)C1 ZINC001083655042 824713797 /nfs/dbraw/zinc/71/37/97/824713797.db2.gz SBNQDGIUGYYBLD-CLPSQLOGSA-N 2 1 319.405 -0.966 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409057 828688728 /nfs/dbraw/zinc/68/87/28/828688728.db2.gz FTVSFOLTHYJQBQ-XNISGKROSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C1CC1)[NH+](C)C ZINC001114409057 828688730 /nfs/dbraw/zinc/68/87/30/828688730.db2.gz FTVSFOLTHYJQBQ-XNISGKROSA-N 2 1 320.437 -0.325 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001114409073 828688743 /nfs/dbraw/zinc/68/87/43/828688743.db2.gz GACBARPYRMGEIK-PAPYEOQZSA-N 2 1 319.409 -0.987 20 30 DBEDMP C[NH+](C)[C@@H](C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001114409073 828688745 /nfs/dbraw/zinc/68/87/45/828688745.db2.gz GACBARPYRMGEIK-PAPYEOQZSA-N 2 1 319.409 -0.987 20 30 DBEDMP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405598 828688877 /nfs/dbraw/zinc/68/88/77/828688877.db2.gz WDUDHYBCPXQRDW-QXSJWSMHSA-N 2 1 315.421 -0.117 20 30 DBEDMP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405598 828688879 /nfs/dbraw/zinc/68/88/79/828688879.db2.gz WDUDHYBCPXQRDW-QXSJWSMHSA-N 2 1 315.421 -0.117 20 30 DBEDMP C=CC[N@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851322 824792860 /nfs/dbraw/zinc/79/28/60/824792860.db2.gz ZHTATTIIFCUZIL-KGLIPLIRSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CC[N@@H+]1C[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](O)C1 ZINC001083851322 824792865 /nfs/dbraw/zinc/79/28/65/824792865.db2.gz ZHTATTIIFCUZIL-KGLIPLIRSA-N 2 1 307.398 -0.594 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114460765 828697921 /nfs/dbraw/zinc/69/79/21/828697921.db2.gz GYGGKULPTMPGOW-COMQUAJESA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C ZINC001114460765 828697923 /nfs/dbraw/zinc/69/79/23/828697923.db2.gz GYGGKULPTMPGOW-COMQUAJESA-N 2 1 308.426 -0.325 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114799208 828744193 /nfs/dbraw/zinc/74/41/93/828744193.db2.gz SVEAEZFEIXRMSP-BFJAYTPKSA-N 2 1 322.453 -0.079 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001114799208 828744197 /nfs/dbraw/zinc/74/41/97/828744197.db2.gz SVEAEZFEIXRMSP-BFJAYTPKSA-N 2 1 322.453 -0.079 20 30 DBEDMP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001086153077 825187158 /nfs/dbraw/zinc/18/71/58/825187158.db2.gz VHLNUKQIBSTLBN-FWPNWONVSA-N 2 1 303.406 -0.033 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001114831633 828749113 /nfs/dbraw/zinc/74/91/13/828749113.db2.gz DRMVIRMOPIFSDF-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001114831633 828749116 /nfs/dbraw/zinc/74/91/16/828749116.db2.gz DRMVIRMOPIFSDF-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114831633 828749118 /nfs/dbraw/zinc/74/91/18/828749118.db2.gz DRMVIRMOPIFSDF-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001114831633 828749120 /nfs/dbraw/zinc/74/91/20/828749120.db2.gz DRMVIRMOPIFSDF-SZOQZIPDSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001114831634 828749445 /nfs/dbraw/zinc/74/94/45/828749445.db2.gz DRMVIRMOPIFSDF-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001114831634 828749452 /nfs/dbraw/zinc/74/94/52/828749452.db2.gz DRMVIRMOPIFSDF-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114831634 828749456 /nfs/dbraw/zinc/74/94/56/828749456.db2.gz DRMVIRMOPIFSDF-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001114831634 828749461 /nfs/dbraw/zinc/74/94/61/828749461.db2.gz DRMVIRMOPIFSDF-WVZRYYJFSA-N 2 1 318.421 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114991364 828770903 /nfs/dbraw/zinc/77/09/03/828770903.db2.gz BXCFCPJUJJGPKY-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[NH+](CC)CC ZINC001114991364 828770906 /nfs/dbraw/zinc/77/09/06/828770906.db2.gz BXCFCPJUJJGPKY-VIKVFOODSA-N 2 1 306.410 -0.876 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[N@H+](C)CC ZINC001115080779 828784115 /nfs/dbraw/zinc/78/41/15/828784115.db2.gz DSFHMOWCHIMWSN-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080779 828784119 /nfs/dbraw/zinc/78/41/19/828784119.db2.gz DSFHMOWCHIMWSN-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)CC ZINC001115080779 828784121 /nfs/dbraw/zinc/78/41/21/828784121.db2.gz DSFHMOWCHIMWSN-TTZDDIAXSA-N 2 1 320.437 -0.488 20 30 DBEDMP C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](O)C1 ZINC001090271465 825617168 /nfs/dbraw/zinc/61/71/68/825617168.db2.gz IODIIQJPHLCALF-ZFWWWQNUSA-N 2 1 321.425 -0.204 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242282 828812282 /nfs/dbraw/zinc/81/22/82/828812282.db2.gz YQBDBFLQHMQEPI-CXTNEJHOSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242282 828812287 /nfs/dbraw/zinc/81/22/87/828812287.db2.gz YQBDBFLQHMQEPI-CXTNEJHOSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242282 828812300 /nfs/dbraw/zinc/81/23/00/828812300.db2.gz YQBDBFLQHMQEPI-CXTNEJHOSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242282 828812310 /nfs/dbraw/zinc/81/23/10/828812310.db2.gz YQBDBFLQHMQEPI-CXTNEJHOSA-N 2 1 306.410 -0.713 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090636041 825771109 /nfs/dbraw/zinc/77/11/09/825771109.db2.gz BXKHFLZFYRIZJN-HUUCEWRRSA-N 2 1 321.425 -0.204 20 30 DBEDMP C#CC[N@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090637269 825772739 /nfs/dbraw/zinc/77/27/39/825772739.db2.gz JGGJIMUQBPVFPE-LSDHHAIUSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](O)C1 ZINC001090637269 825772741 /nfs/dbraw/zinc/77/27/41/825772741.db2.gz JGGJIMUQBPVFPE-LSDHHAIUSA-N 2 1 319.409 -0.757 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC#CC)C[C@@H]2O)CC1 ZINC001090830017 825863410 /nfs/dbraw/zinc/86/34/10/825863410.db2.gz HSMYYVQIDHXPRF-IRXDYDNUSA-N 2 1 317.433 -0.094 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001274367799 833068784 /nfs/dbraw/zinc/06/87/84/833068784.db2.gz GRLQQUMXPPKDIP-WHJWBVKISA-N 2 1 320.437 -0.272 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872509 826707442 /nfs/dbraw/zinc/70/74/42/826707442.db2.gz VGTNYLNTLABJRR-GJZGRUSLSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](O)C1 ZINC001099872509 826707447 /nfs/dbraw/zinc/70/74/47/826707447.db2.gz VGTNYLNTLABJRR-GJZGRUSLSA-N 2 1 323.437 -0.328 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973329 826751716 /nfs/dbraw/zinc/75/17/16/826751716.db2.gz BEKZGTPMCGEYCH-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001099973329 826751719 /nfs/dbraw/zinc/75/17/19/826751719.db2.gz BEKZGTPMCGEYCH-CABCVRRESA-N 2 1 311.426 -0.471 20 30 DBEDMP C=C(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037218 826787496 /nfs/dbraw/zinc/78/74/96/826787496.db2.gz VYZBQWPHTFSCEO-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=C(C)C[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)[C@H](O)C1 ZINC001100037218 826787498 /nfs/dbraw/zinc/78/74/98/826787498.db2.gz VYZBQWPHTFSCEO-HUUCEWRRSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037113 826787675 /nfs/dbraw/zinc/78/76/75/826787675.db2.gz UEZFRXZVRLFJLQ-GJZGRUSLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@H](NC(=O)CC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001100037113 826787676 /nfs/dbraw/zinc/78/76/76/826787676.db2.gz UEZFRXZVRLFJLQ-GJZGRUSLSA-N 2 1 311.426 -0.164 20 30 DBEDMP C#CC[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056062 826802677 /nfs/dbraw/zinc/80/26/77/826802677.db2.gz NTTCYDIYQTVQLQ-HUUCEWRRSA-N 2 1 309.410 -0.718 20 30 DBEDMP C#CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@H](O)C1 ZINC001100056062 826802697 /nfs/dbraw/zinc/80/26/97/826802697.db2.gz NTTCYDIYQTVQLQ-HUUCEWRRSA-N 2 1 309.410 -0.718 20 30 DBEDMP C=CC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001100056520 826803538 /nfs/dbraw/zinc/80/35/38/826803538.db2.gz WACIGWDQRVPGEN-CABCVRRESA-N 2 1 311.426 -0.165 20 30 DBEDMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC(=O)NCC#N ZINC001274642134 833113937 /nfs/dbraw/zinc/11/39/37/833113937.db2.gz BRSCUHTVUCRDIZ-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@H+]1CC(=O)NCC#N ZINC001274642134 833113939 /nfs/dbraw/zinc/11/39/39/833113939.db2.gz BRSCUHTVUCRDIZ-STQMWFEESA-N 2 1 309.414 -0.453 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1c[nH+]cc1C ZINC001162646570 833115132 /nfs/dbraw/zinc/11/51/32/833115132.db2.gz GSGUXPDCZMWFDH-ZDUSSCGKSA-N 2 1 307.398 -0.022 20 30 DBEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132078 826884853 /nfs/dbraw/zinc/88/48/53/826884853.db2.gz NCDOXLWRZPONCK-LSDHHAIUSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H](O)C1 ZINC001100132078 826884870 /nfs/dbraw/zinc/88/48/70/826884870.db2.gz NCDOXLWRZPONCK-LSDHHAIUSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)[C@H](O)C1 ZINC001100132078 826884879 /nfs/dbraw/zinc/88/48/79/826884879.db2.gz NCDOXLWRZPONCK-LSDHHAIUSA-N 2 1 311.426 -0.472 20 30 DBEDMP COCC#CC[NH+]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H](O)C1 ZINC001100132078 826884890 /nfs/dbraw/zinc/88/48/90/826884890.db2.gz NCDOXLWRZPONCK-LSDHHAIUSA-N 2 1 311.426 -0.472 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100186039 826905674 /nfs/dbraw/zinc/90/56/74/826905674.db2.gz XJBLYCQTCKVRBH-BPCQOVAHSA-N 2 1 307.398 -0.795 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001274720186 833122892 /nfs/dbraw/zinc/12/28/92/833122892.db2.gz RJTHUEWCLFYBTF-MELADBBJSA-N 2 1 323.441 -0.159 20 30 DBEDMP C#CC[NH2+]C1CC(CNC(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001100401774 826958062 /nfs/dbraw/zinc/95/80/62/826958062.db2.gz KAMRQWOWJCVAPM-YMAMQOFZSA-N 2 1 303.410 -0.069 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C[C@H](O)COC)C1 ZINC001100415581 826961371 /nfs/dbraw/zinc/96/13/71/826961371.db2.gz XWDVYOBAKYKVFP-CKUJCDMFSA-N 2 1 323.437 -0.424 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]C[C@H](O)COC)C1 ZINC001100415581 826961377 /nfs/dbraw/zinc/96/13/77/826961377.db2.gz XWDVYOBAKYKVFP-CKUJCDMFSA-N 2 1 323.437 -0.424 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NCC1CC([NH2+]CC(=O)NCC#N)C1 ZINC001100983817 827058731 /nfs/dbraw/zinc/05/87/31/827058731.db2.gz SCNXGJKLZJLCMJ-UHFFFAOYSA-N 2 1 318.381 -0.684 20 30 DBEDMP COCC#CC[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844337 827155485 /nfs/dbraw/zinc/15/54/85/827155485.db2.gz WKHQSFKPUBOZLQ-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101844337 827155489 /nfs/dbraw/zinc/15/54/89/827155489.db2.gz WKHQSFKPUBOZLQ-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101844337 827155494 /nfs/dbraw/zinc/15/54/94/827155494.db2.gz WKHQSFKPUBOZLQ-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP COCC#CC[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101844337 827155499 /nfs/dbraw/zinc/15/54/99/827155499.db2.gz WKHQSFKPUBOZLQ-OAGGEKHMSA-N 2 1 323.437 -0.349 20 30 DBEDMP CC[NH+](CC)CC(=O)NC[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001102473744 827209216 /nfs/dbraw/zinc/20/92/16/827209216.db2.gz NHZGDBZCYKTIQQ-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC001102578312 827226670 /nfs/dbraw/zinc/22/66/70/827226670.db2.gz VRDAEZCJSLAUPE-QLFBSQMISA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[C@H](C)C1 ZINC001102578312 827226672 /nfs/dbraw/zinc/22/66/72/827226672.db2.gz VRDAEZCJSLAUPE-QLFBSQMISA-N 2 1 320.437 -0.628 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)[C@H](C)C1 ZINC001102578312 827226678 /nfs/dbraw/zinc/22/66/78/827226678.db2.gz VRDAEZCJSLAUPE-QLFBSQMISA-N 2 1 320.437 -0.628 20 30 DBEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001102579801 827229319 /nfs/dbraw/zinc/22/93/19/827229319.db2.gz QGVQSYFSZKYVRS-ZIAGYGMSSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)[C@H](C)C1 ZINC001102600891 827230832 /nfs/dbraw/zinc/23/08/32/827230832.db2.gz AKJIZGYAWOVUQU-HUUCEWRRSA-N 2 1 322.453 -0.240 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600891 827230836 /nfs/dbraw/zinc/23/08/36/827230836.db2.gz AKJIZGYAWOVUQU-HUUCEWRRSA-N 2 1 322.453 -0.240 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)C[NH+](C)C(C)C)[C@H](C)C1 ZINC001102600891 827230844 /nfs/dbraw/zinc/23/08/44/827230844.db2.gz AKJIZGYAWOVUQU-HUUCEWRRSA-N 2 1 322.453 -0.240 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001163820205 833170671 /nfs/dbraw/zinc/17/06/71/833170671.db2.gz DPXUWQMPHXQRBM-ZDUSSCGKSA-N 2 1 321.425 -0.404 20 30 DBEDMP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC001105191779 827402297 /nfs/dbraw/zinc/40/22/97/827402297.db2.gz FCJPATURYJYMAM-OAHLLOKOSA-N 2 1 316.409 -0.132 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001164574255 833221613 /nfs/dbraw/zinc/22/16/13/833221613.db2.gz DVOQEYOZCJREIJ-STQMWFEESA-N 2 1 309.414 -0.548 20 30 DBEDMP CCC[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001106905864 827684830 /nfs/dbraw/zinc/68/48/30/827684830.db2.gz LBZMKPOPQQZRKN-ZIAGYGMSSA-N 2 1 323.441 -0.348 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001107038662 827695210 /nfs/dbraw/zinc/69/52/10/827695210.db2.gz CFFUBGUNCFCFPI-ZIAGYGMSSA-N 2 1 323.441 -0.350 20 30 DBEDMP C=CCOCCN1CC(CCO)(NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001276100515 833245140 /nfs/dbraw/zinc/24/51/40/833245140.db2.gz CDEFNKQHMWBSHX-AWEZNQCLSA-N 2 1 311.426 -0.306 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+](C)C)CC2=O)C1 ZINC001108569597 828017942 /nfs/dbraw/zinc/01/79/42/828017942.db2.gz LFLUSTKJCIIITP-CYBMUJFWSA-N 2 1 306.410 -0.637 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)CC[N@@H+](C)CC)CC2=O)C1 ZINC001108584834 828024147 /nfs/dbraw/zinc/02/41/47/828024147.db2.gz MMIMRYHQTJLRQM-CQSZACIVSA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)CC[N@H+](C)CC)CC2=O)C1 ZINC001108584834 828024158 /nfs/dbraw/zinc/02/41/58/828024158.db2.gz MMIMRYHQTJLRQM-CQSZACIVSA-N 2 1 320.437 -0.247 20 30 DBEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001167626699 833305562 /nfs/dbraw/zinc/30/55/62/833305562.db2.gz FUARAIGKSKKBTK-AWEZNQCLSA-N 2 1 323.441 -0.015 20 30 DBEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[N@H+]21 ZINC001168023040 833315502 /nfs/dbraw/zinc/31/55/02/833315502.db2.gz SUODBFACIOXZBK-KGLIPLIRSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([N@H+]3CC[C@H](O)C3)C2)CC1 ZINC001117532325 828989446 /nfs/dbraw/zinc/98/94/46/828989446.db2.gz BUYAQCZQHYVLMU-HOTGVXAUSA-N 2 1 305.422 -0.001 20 30 DBEDMP N#CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001118131021 829038296 /nfs/dbraw/zinc/03/82/96/829038296.db2.gz PXHCRUSZJYCZIQ-QWHCGFSZSA-N 2 1 309.414 -0.289 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171307406 833368801 /nfs/dbraw/zinc/36/88/01/833368801.db2.gz IOOZPIJYTGOVPO-KGLIPLIRSA-N 2 1 308.426 -0.166 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CCCC[NH2+]CC(N)=O ZINC001171307406 833368803 /nfs/dbraw/zinc/36/88/03/833368803.db2.gz IOOZPIJYTGOVPO-KGLIPLIRSA-N 2 1 308.426 -0.166 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001176637187 833414357 /nfs/dbraw/zinc/41/43/57/833414357.db2.gz ZDXVQELIWHEPQI-ZDUSSCGKSA-N 2 1 312.414 -0.895 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001176637187 833414358 /nfs/dbraw/zinc/41/43/58/833414358.db2.gz ZDXVQELIWHEPQI-ZDUSSCGKSA-N 2 1 312.414 -0.895 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](C[C@H](O)COC)C1 ZINC001276390075 833423925 /nfs/dbraw/zinc/42/39/25/833423925.db2.gz WNYVUXIEKXZBPB-KBMXLJTQSA-N 2 1 323.437 -0.472 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001176986109 833444712 /nfs/dbraw/zinc/44/47/12/833444712.db2.gz DYWVYYDHQQBFSU-CQSZACIVSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001176986108 833444931 /nfs/dbraw/zinc/44/49/31/833444931.db2.gz DYWVYYDHQQBFSU-AWEZNQCLSA-N 2 1 308.426 -0.294 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC001127257007 829996862 /nfs/dbraw/zinc/99/68/62/829996862.db2.gz UVQOOASEXBBHRI-KBPBESRZSA-N 2 1 306.410 -0.684 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001129770882 830208636 /nfs/dbraw/zinc/20/86/36/830208636.db2.gz MQAMQMNQRAARDO-CABCVRRESA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC=C)C1=O ZINC001129770882 830208647 /nfs/dbraw/zinc/20/86/47/830208647.db2.gz MQAMQMNQRAARDO-CABCVRRESA-N 2 1 318.421 -0.423 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001129771420 830209615 /nfs/dbraw/zinc/20/96/15/830209615.db2.gz WUVGHLYHJHFMEO-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H]1CCN(CC)C1=O ZINC001129771420 830209620 /nfs/dbraw/zinc/20/96/20/830209620.db2.gz WUVGHLYHJHFMEO-KGLIPLIRSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]1n1ccnn1 ZINC001130137090 830269417 /nfs/dbraw/zinc/26/94/17/830269417.db2.gz IKGWVSUBBVMIFQ-KGLIPLIRSA-N 2 1 304.398 -0.407 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1=O ZINC001130182874 830277108 /nfs/dbraw/zinc/27/71/08/830277108.db2.gz YMNHGZUGTILLQG-MGPQQGTHSA-N 2 1 324.425 -0.802 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1=O ZINC001130182874 830277113 /nfs/dbraw/zinc/27/71/13/830277113.db2.gz YMNHGZUGTILLQG-MGPQQGTHSA-N 2 1 324.425 -0.802 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@@H+]12 ZINC001130187505 830278933 /nfs/dbraw/zinc/27/89/33/830278933.db2.gz WTNUAYVTHBTBMR-UONOGXRCSA-N 2 1 306.410 -0.542 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001130298139 830293211 /nfs/dbraw/zinc/29/32/11/830293211.db2.gz WRQWMGDVBABPFS-AWEZNQCLSA-N 2 1 323.441 -0.061 20 30 DBEDMP COCC#CC[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131519267 830480027 /nfs/dbraw/zinc/48/00/27/830480027.db2.gz BVFDYVGFRHEIOP-NPCAHTBFSA-N 2 1 307.394 -0.795 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272947 830619397 /nfs/dbraw/zinc/61/93/97/830619397.db2.gz CJNIGUYBPUCNMD-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)CC[C@H]1C ZINC001132272947 830619398 /nfs/dbraw/zinc/61/93/98/830619398.db2.gz CJNIGUYBPUCNMD-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001134759340 830974492 /nfs/dbraw/zinc/97/44/92/830974492.db2.gz MNBGVGVCBIWJAT-ZDUSSCGKSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H](C)C[C@@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333311 831276426 /nfs/dbraw/zinc/27/64/26/831276426.db2.gz NRGGEMPHTWPNIH-CHWSQXEVSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@H](C)NC(=O)Cn1cc[nH+]c1C ZINC001146333314 831276535 /nfs/dbraw/zinc/27/65/35/831276535.db2.gz NRGGEMPHTWPNIH-STQMWFEESA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001146591084 831285402 /nfs/dbraw/zinc/28/54/02/831285402.db2.gz FUWNJKVNUSGSAW-UONOGXRCSA-N 2 1 310.442 -0.051 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CC[N@@H+](C)CC ZINC001146718839 831292499 /nfs/dbraw/zinc/29/24/99/831292499.db2.gz HOPGLKPIBTZMNT-UHFFFAOYSA-N 2 1 311.430 -0.204 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174372 831433907 /nfs/dbraw/zinc/43/39/07/831433907.db2.gz LBSMNTBTHFYXSY-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001148174372 831433911 /nfs/dbraw/zinc/43/39/11/831433911.db2.gz LBSMNTBTHFYXSY-UHFFFAOYSA-N 2 1 320.437 -0.388 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210978 831437409 /nfs/dbraw/zinc/43/74/09/831437409.db2.gz ZCPXSDPHDLWQDN-UHFFFAOYSA-N 2 1 306.410 -0.778 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001148210978 831437411 /nfs/dbraw/zinc/43/74/11/831437411.db2.gz ZCPXSDPHDLWQDN-UHFFFAOYSA-N 2 1 306.410 -0.778 20 30 DBEDMP COCC#CC[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148605418 831464919 /nfs/dbraw/zinc/46/49/19/831464919.db2.gz SCBZNSBPKMPVFU-UHFFFAOYSA-N 2 1 323.437 -0.251 20 30 DBEDMP C#CCC[N@H+]1CCCO[C@H](CNC(=O)COCC[NH+](C)C)C1 ZINC001150587432 831630334 /nfs/dbraw/zinc/63/03/34/831630334.db2.gz HODLOHFXLKILOE-OAHLLOKOSA-N 2 1 311.426 -0.205 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)Cn1cc[nH+]c1C ZINC001151147381 831668229 /nfs/dbraw/zinc/66/82/29/831668229.db2.gz LJWDBJMZYNOYBQ-UHFFFAOYSA-N 2 1 320.397 -0.341 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1=O ZINC001151740928 831707219 /nfs/dbraw/zinc/70/72/19/831707219.db2.gz ZOFOBNUVTJYRSI-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1=O ZINC001151740928 831707222 /nfs/dbraw/zinc/70/72/22/831707222.db2.gz ZOFOBNUVTJYRSI-KGLIPLIRSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+][C@@H](C)c2nncn2C)CC1 ZINC001152329860 831741205 /nfs/dbraw/zinc/74/12/05/831741205.db2.gz CKQHHIJKMVKNRN-ZDUSSCGKSA-N 2 1 318.425 -0.073 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2cnn(CC)n2)CC1 ZINC001152335039 831742439 /nfs/dbraw/zinc/74/24/39/831742439.db2.gz XFZXIGHUTVPXEE-UHFFFAOYSA-N 2 1 318.425 -0.151 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)C[N@@H+](C)C(C)C ZINC001152440077 831749730 /nfs/dbraw/zinc/74/97/30/831749730.db2.gz XGHNHTMIWNLFEG-UHFFFAOYSA-N 2 1 311.430 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001153998130 831856189 /nfs/dbraw/zinc/85/61/89/831856189.db2.gz JTGFUBOUIYRAAP-ZIAGYGMSSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@@H](CC)[NH+](C)C ZINC001153998130 831856191 /nfs/dbraw/zinc/85/61/91/831856191.db2.gz JTGFUBOUIYRAAP-ZIAGYGMSSA-N 2 1 310.442 -0.097 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894576 831905375 /nfs/dbraw/zinc/90/53/75/831905375.db2.gz TWOAJHCSVFQZKU-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C1(C[NH+](C)C)CC1 ZINC001154894576 831905379 /nfs/dbraw/zinc/90/53/79/831905379.db2.gz TWOAJHCSVFQZKU-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254806 831923828 /nfs/dbraw/zinc/92/38/28/831923828.db2.gz FMAUVLSFBRISPB-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155254806 831923830 /nfs/dbraw/zinc/92/38/30/831923830.db2.gz FMAUVLSFBRISPB-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155254806 831923831 /nfs/dbraw/zinc/92/38/31/831923831.db2.gz FMAUVLSFBRISPB-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH+](CC)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155254806 831923833 /nfs/dbraw/zinc/92/38/33/831923833.db2.gz FMAUVLSFBRISPB-LSDHHAIUSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC[N@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255129 831923905 /nfs/dbraw/zinc/92/39/05/831923905.db2.gz KGLXGOMWTFZKTD-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[N@@H+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001155255129 831923908 /nfs/dbraw/zinc/92/39/08/831923908.db2.gz KGLXGOMWTFZKTD-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001155255129 831923911 /nfs/dbraw/zinc/92/39/11/831923911.db2.gz KGLXGOMWTFZKTD-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[NH+](CC(=O)NCC#N)[C@H](C)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001155255129 831923913 /nfs/dbraw/zinc/92/39/13/831923913.db2.gz KGLXGOMWTFZKTD-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289098 831926597 /nfs/dbraw/zinc/92/65/97/831926597.db2.gz JTGFUBOUIYRAAP-KGLIPLIRSA-N 2 1 310.442 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)[C@H](C)CNC(=O)[C@H](CC)[NH+](C)C ZINC001155289098 831926600 /nfs/dbraw/zinc/92/66/00/831926600.db2.gz JTGFUBOUIYRAAP-KGLIPLIRSA-N 2 1 310.442 -0.097 20 30 DBEDMP C=CCN1CC[C@H]([NH2+]CCCNC(=O)[C@H]2CCC[N@@H+]2C)C1=O ZINC001155812512 831954450 /nfs/dbraw/zinc/95/44/50/831954450.db2.gz NXBMYIKPWPUTJP-UONOGXRCSA-N 2 1 308.426 -0.037 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](CC)CC(=O)NC)CC1 ZINC001157092073 832021098 /nfs/dbraw/zinc/02/10/98/832021098.db2.gz JARJPWJHXQPRFO-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](CC)CC(=O)NC)CC1 ZINC001157092073 832021104 /nfs/dbraw/zinc/02/11/04/832021104.db2.gz JARJPWJHXQPRFO-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC001158486569 832117383 /nfs/dbraw/zinc/11/73/83/832117383.db2.gz OHYHHNPXWCCRIL-KBPBESRZSA-N 2 1 324.425 -0.752 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)CC(C)(C)C ZINC001185722842 833808773 /nfs/dbraw/zinc/80/87/73/833808773.db2.gz BNTQSPPSMDNLOX-CYBMUJFWSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269296310 832409951 /nfs/dbraw/zinc/40/99/51/832409951.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269296310 832409956 /nfs/dbraw/zinc/40/99/56/832409956.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001269296310 832409959 /nfs/dbraw/zinc/40/99/59/832409959.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001269296310 832409964 /nfs/dbraw/zinc/40/99/64/832409964.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001269296310 832409966 /nfs/dbraw/zinc/40/99/66/832409966.db2.gz LSMGGRSNPWAZFS-KBPBESRZSA-N 2 1 306.410 -0.780 20 30 DBEDMP CC[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)[NH2+]CC(=O)NCC#N ZINC001269403210 832427803 /nfs/dbraw/zinc/42/78/03/832427803.db2.gz UGKOGETWZCWKNJ-KGLIPLIRSA-N 2 1 323.441 -0.017 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)COC)CC1 ZINC001269428655 832432870 /nfs/dbraw/zinc/43/28/70/832432870.db2.gz QJHVKCDAWIXUMH-KBPBESRZSA-N 2 1 309.410 -0.670 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]C[C@H](O)COC)CC1 ZINC001269428655 832432873 /nfs/dbraw/zinc/43/28/73/832432873.db2.gz QJHVKCDAWIXUMH-KBPBESRZSA-N 2 1 309.410 -0.670 20 30 DBEDMP CC[C@H](CNC(=O)CC[NH+]1CCOCC1)[NH2+]CC#CCOC ZINC001269482802 832440000 /nfs/dbraw/zinc/44/00/00/832440000.db2.gz ZBISGQASQLNJOO-OAHLLOKOSA-N 2 1 311.426 -0.157 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001269736504 832464024 /nfs/dbraw/zinc/46/40/24/832464024.db2.gz KNPSOBVWTJUZMJ-INIZCTEOSA-N 2 1 321.425 -0.498 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001269736504 832464025 /nfs/dbraw/zinc/46/40/25/832464025.db2.gz KNPSOBVWTJUZMJ-INIZCTEOSA-N 2 1 321.425 -0.498 20 30 DBEDMP C#CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271145293 832628862 /nfs/dbraw/zinc/62/88/62/832628862.db2.gz LOXGRPVGVXTQOD-DOTOQJQBSA-N 2 1 305.422 -0.096 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001271436218 832667991 /nfs/dbraw/zinc/66/79/91/832667991.db2.gz LHUCYEZVOZLRCH-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C(C)C)C[C@H]1C ZINC001271458556 832670678 /nfs/dbraw/zinc/67/06/78/832670678.db2.gz NQWQFZXGKTZADS-HUUCEWRRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)C[C@H]2C1 ZINC001271890863 832713787 /nfs/dbraw/zinc/71/37/87/832713787.db2.gz CNLGCMJATBDQDS-KFWWJZLASA-N 2 1 318.421 -0.922 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC[NH+](C)C3)C[C@H]2C1 ZINC001271890863 832713790 /nfs/dbraw/zinc/71/37/90/832713790.db2.gz CNLGCMJATBDQDS-KFWWJZLASA-N 2 1 318.421 -0.922 20 30 DBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001271905063 832714139 /nfs/dbraw/zinc/71/41/39/832714139.db2.gz LSRFGLHMNFKDIU-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CCC[NH2+]C1CCN(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001271905063 832714143 /nfs/dbraw/zinc/71/41/43/832714143.db2.gz LSRFGLHMNFKDIU-INIZCTEOSA-N 2 1 322.453 -0.490 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001159839362 832851149 /nfs/dbraw/zinc/85/11/49/832851149.db2.gz ZHIMPINYHNKMHI-HNNXBMFYSA-N 2 1 322.453 -0.190 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H](C)NC(=O)Cn1c[nH+]cc1C ZINC001272914735 832852437 /nfs/dbraw/zinc/85/24/37/832852437.db2.gz QSKCNDVDIMCJMU-JSGCOSHPSA-N 2 1 319.409 -0.186 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1CC ZINC001160198318 832883198 /nfs/dbraw/zinc/88/31/98/832883198.db2.gz ZXHKWZLOXYZCJY-HNNXBMFYSA-N 2 1 318.425 -0.009 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1cnnn1CC ZINC001160198318 832883211 /nfs/dbraw/zinc/88/32/11/832883211.db2.gz ZXHKWZLOXYZCJY-HNNXBMFYSA-N 2 1 318.425 -0.009 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001160209572 832885818 /nfs/dbraw/zinc/88/58/18/832885818.db2.gz QYVXDPGVJFXQQL-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+][C@H](C)C(=O)N(C)C ZINC001160209572 832885825 /nfs/dbraw/zinc/88/58/25/832885825.db2.gz QYVXDPGVJFXQQL-KGLIPLIRSA-N 2 1 308.426 -0.343 20 30 DBEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193971 832891286 /nfs/dbraw/zinc/89/12/86/832891286.db2.gz ZYPOBWKIXLPKAC-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC#CCOC)C1 ZINC001273193971 832891298 /nfs/dbraw/zinc/89/12/98/832891298.db2.gz ZYPOBWKIXLPKAC-LSDHHAIUSA-N 2 1 311.426 -0.159 20 30 DBEDMP C#CC[NH2+]C[C@@H]1CN(C(=O)CCCC[NH+]2CCOCC2)CCO1 ZINC001273333903 832913204 /nfs/dbraw/zinc/91/32/04/832913204.db2.gz ZRECAWYZMNZXGG-MRXNPFEDSA-N 2 1 323.437 -0.061 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001273381130 832919925 /nfs/dbraw/zinc/91/99/25/832919925.db2.gz ALKBGSIVKUAZHT-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001161090505 832975746 /nfs/dbraw/zinc/97/57/46/832975746.db2.gz VSHCWHWYPTVGSG-UHFFFAOYSA-N 2 1 321.425 -0.284 20 30 DBEDMP C[NH+](C)CCC(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001161090505 832975751 /nfs/dbraw/zinc/97/57/51/832975751.db2.gz VSHCWHWYPTVGSG-UHFFFAOYSA-N 2 1 321.425 -0.284 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCCCCCC[NH2+]CC(=O)NCC#N ZINC001178045730 833489142 /nfs/dbraw/zinc/48/91/42/833489142.db2.gz SYJXBIIECUDWLK-CQSZACIVSA-N 2 1 323.441 -0.013 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)[C@H]1C ZINC001179539302 833549818 /nfs/dbraw/zinc/54/98/18/833549818.db2.gz UUMIPMXBHGBRLH-KKUMJFAQSA-N 2 1 320.437 -0.343 20 30 DBEDMP COCC#CC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCOCC2)[C@H]1C ZINC001179719394 833556371 /nfs/dbraw/zinc/55/63/71/833556371.db2.gz FBQXUESLENFCFN-HOTGVXAUSA-N 2 1 323.437 -0.063 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001182693498 833687367 /nfs/dbraw/zinc/68/73/67/833687367.db2.gz VCHMGDUJJOATJE-QLFBSQMISA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001183288717 833712038 /nfs/dbraw/zinc/71/20/38/833712038.db2.gz LQLZXCPVFHGRFR-CYBMUJFWSA-N 2 1 306.410 -0.589 20 30 DBEDMP C[N@@H+](CC(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)C1CCC1 ZINC001183289489 833712246 /nfs/dbraw/zinc/71/22/46/833712246.db2.gz ZURUJBYGCZKOSH-GFCCVEGCSA-N 2 1 307.398 -0.699 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC001183288777 833712335 /nfs/dbraw/zinc/71/23/35/833712335.db2.gz ODXAPPYTPIOZQY-UONOGXRCSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001183354260 833714256 /nfs/dbraw/zinc/71/42/56/833714256.db2.gz YEGCBSDEMUPEEE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001183354260 833714257 /nfs/dbraw/zinc/71/42/57/833714257.db2.gz YEGCBSDEMUPEEE-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP CC[N@@H+](C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183771894 833736681 /nfs/dbraw/zinc/73/66/81/833736681.db2.gz DLMYVOAGZXEJOY-GFCCVEGCSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001184877605 833774375 /nfs/dbraw/zinc/77/43/75/833774375.db2.gz VGAOBDQGZJIPBX-BFHYXJOUSA-N 2 1 306.410 -0.591 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001187106415 833902528 /nfs/dbraw/zinc/90/25/28/833902528.db2.gz GMCWRNMJJGTMNI-UONOGXRCSA-N 2 1 308.426 -0.179 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001277216521 833934329 /nfs/dbraw/zinc/93/43/29/833934329.db2.gz DLYLSMNWSQDPLP-UONOGXRCSA-N 2 1 323.441 -0.015 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001188139269 833970589 /nfs/dbraw/zinc/97/05/89/833970589.db2.gz KBPZQHFSPKKNAW-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C[N@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389916 834073232 /nfs/dbraw/zinc/07/32/32/834073232.db2.gz MERAOLSZEHROBD-OLZOCXBDSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[N@@H+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001189389916 834073242 /nfs/dbraw/zinc/07/32/42/834073242.db2.gz MERAOLSZEHROBD-OLZOCXBDSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001189389916 834073248 /nfs/dbraw/zinc/07/32/48/834073248.db2.gz MERAOLSZEHROBD-OLZOCXBDSA-N 2 1 307.398 -0.747 20 30 DBEDMP C[NH+](CC(=O)NCC#N)[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001189389916 834073258 /nfs/dbraw/zinc/07/32/58/834073258.db2.gz MERAOLSZEHROBD-OLZOCXBDSA-N 2 1 307.398 -0.747 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2CN(CC(=O)NCC#N)C[C@H]21 ZINC001189653001 834102473 /nfs/dbraw/zinc/10/24/73/834102473.db2.gz PPZYBPSWMPIACK-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[N@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001189653001 834102478 /nfs/dbraw/zinc/10/24/78/834102478.db2.gz PPZYBPSWMPIACK-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[N@@H+](C)CCC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001189653001 834102482 /nfs/dbraw/zinc/10/24/82/834102482.db2.gz PPZYBPSWMPIACK-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189653001 834102485 /nfs/dbraw/zinc/10/24/85/834102485.db2.gz PPZYBPSWMPIACK-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP CC[NH+](C)CCC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001189653001 834102490 /nfs/dbraw/zinc/10/24/90/834102490.db2.gz PPZYBPSWMPIACK-UONOGXRCSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655137 834177358 /nfs/dbraw/zinc/17/73/58/834177358.db2.gz NTJPKGATZNLLBP-GDBMZVCRSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC001190655137 834177363 /nfs/dbraw/zinc/17/73/63/834177363.db2.gz NTJPKGATZNLLBP-GDBMZVCRSA-N 2 1 320.437 -0.391 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001192343225 834359749 /nfs/dbraw/zinc/35/97/49/834359749.db2.gz NRJJKITWQQDZFC-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC001192343225 834359760 /nfs/dbraw/zinc/35/97/60/834359760.db2.gz NRJJKITWQQDZFC-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343225 834359772 /nfs/dbraw/zinc/35/97/72/834359772.db2.gz NRJJKITWQQDZFC-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)C[NH+]2CCC[C@H]2C)C1 ZINC001192343225 834359783 /nfs/dbraw/zinc/35/97/83/834359783.db2.gz NRJJKITWQQDZFC-CABCVRRESA-N 2 1 320.437 -0.247 20 30 DBEDMP COCC#CC[N@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192848381 834432389 /nfs/dbraw/zinc/43/23/89/834432389.db2.gz WAMFGLQRXKRFLV-INIZCTEOSA-N 2 1 323.437 -0.109 20 30 DBEDMP COCC#CC[N@@H+](C)[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001192848381 834432397 /nfs/dbraw/zinc/43/23/97/834432397.db2.gz WAMFGLQRXKRFLV-INIZCTEOSA-N 2 1 323.437 -0.109 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CN(CC#CCOC)C[C@H]2O)CC[N@H+]1C ZINC001193085775 834460235 /nfs/dbraw/zinc/46/02/35/834460235.db2.gz OHRJWNCTUPJCOM-ZJIFWQFVSA-N 2 1 323.437 -0.472 20 30 DBEDMP 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/nfs/dbraw/zinc/05/22/39/835052239.db2.gz BAURYURXIBWWAF-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001264756316 835052250 /nfs/dbraw/zinc/05/22/50/835052250.db2.gz BAURYURXIBWWAF-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP CC#CC[NH+](CCO)C1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001264756316 835052262 /nfs/dbraw/zinc/05/22/62/835052262.db2.gz BAURYURXIBWWAF-MRXNPFEDSA-N 2 1 323.437 -0.374 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001199787726 835056709 /nfs/dbraw/zinc/05/67/09/835056709.db2.gz CUUTUENHFKGQLP-ZFWWWQNUSA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001265358682 835132984 /nfs/dbraw/zinc/13/29/84/835132984.db2.gz NWWWPUNZQLPPLG-CABCVRRESA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC(=O)N(C)C)C1CC1 ZINC001265358682 835132986 /nfs/dbraw/zinc/13/29/86/835132986.db2.gz NWWWPUNZQLPPLG-CABCVRRESA-N 2 1 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/nfs/dbraw/zinc/32/06/07/835320607.db2.gz DKEGNXMWDUBNLW-CQSZACIVSA-N 2 1 306.410 -0.588 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266549362 835334972 /nfs/dbraw/zinc/33/49/72/835334972.db2.gz UFJQNEXIXVVVCJ-UONOGXRCSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266549362 835334976 /nfs/dbraw/zinc/33/49/76/835334976.db2.gz UFJQNEXIXVVVCJ-UONOGXRCSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266549362 835334979 /nfs/dbraw/zinc/33/49/79/835334979.db2.gz UFJQNEXIXVVVCJ-UONOGXRCSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[NH+]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001266549363 835335200 /nfs/dbraw/zinc/33/52/00/835335200.db2.gz UFJQNEXIXVVVCJ-ZIAGYGMSSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266549363 835335207 /nfs/dbraw/zinc/33/52/07/835335207.db2.gz UFJQNEXIXVVVCJ-ZIAGYGMSSA-N 2 1 308.426 -0.322 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001266549363 835335212 /nfs/dbraw/zinc/33/52/12/835335212.db2.gz UFJQNEXIXVVVCJ-ZIAGYGMSSA-N 2 1 308.426 -0.322 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001205479784 835345559 /nfs/dbraw/zinc/34/55/59/835345559.db2.gz XZUJHOJRWXJGNR-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+][C@@H](C)C(N)=O)CC1 ZINC001205479784 835345566 /nfs/dbraw/zinc/34/55/66/835345566.db2.gz XZUJHOJRWXJGNR-ZFWWWQNUSA-N 2 1 320.437 -0.214 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266725796 835369723 /nfs/dbraw/zinc/36/97/23/835369723.db2.gz UVHMWEZOORKAJL-MELADBBJSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC(=O)NC(C)C ZINC001266728631 835370268 /nfs/dbraw/zinc/37/02/68/835370268.db2.gz FGCKRQSSHRHOJH-AWEZNQCLSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001266725327 835370591 /nfs/dbraw/zinc/37/05/91/835370591.db2.gz CZRORLINGDVGKJ-MELADBBJSA-N 2 1 308.426 -0.133 20 30 DBEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC(=O)NCC#N ZINC001266993827 835423990 /nfs/dbraw/zinc/42/39/90/835423990.db2.gz GDLIMPABHQHEIM-QWHCGFSZSA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267049378 835435749 /nfs/dbraw/zinc/43/57/49/835435749.db2.gz IHINXKCYZKCYQN-CQSZACIVSA-N 2 1 317.393 -0.621 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267049377 835435991 /nfs/dbraw/zinc/43/59/91/835435991.db2.gz IHINXKCYZKCYQN-AWEZNQCLSA-N 2 1 317.393 -0.621 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306390 835482395 /nfs/dbraw/zinc/48/23/95/835482395.db2.gz GIIIFPDNCCBFTB-HIFRSBDPSA-N 2 1 323.441 -0.350 20 30 DBEDMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001267306390 835482398 /nfs/dbraw/zinc/48/23/98/835482398.db2.gz GIIIFPDNCCBFTB-HIFRSBDPSA-N 2 1 323.441 -0.350 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C1CCC1 ZINC001267383864 835498859 /nfs/dbraw/zinc/49/88/59/835498859.db2.gz BWHNLODZZNGGCZ-ZDUSSCGKSA-N 2 1 308.426 -0.343 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)Cn1c[nH+]cc1C ZINC001267403098 835504056 /nfs/dbraw/zinc/50/40/56/835504056.db2.gz UFLGUGYIVLIDKT-CYBMUJFWSA-N 2 1 307.398 -0.070 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001267594751 835538436 /nfs/dbraw/zinc/53/84/36/835538436.db2.gz BRTCUIOPNBDCHA-LSDHHAIUSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001267594751 835538440 /nfs/dbraw/zinc/53/84/40/835538440.db2.gz BRTCUIOPNBDCHA-LSDHHAIUSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001267594751 835538444 /nfs/dbraw/zinc/53/84/44/835538444.db2.gz BRTCUIOPNBDCHA-LSDHHAIUSA-N 2 1 320.437 -0.532 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267732241 835581214 /nfs/dbraw/zinc/58/12/14/835581214.db2.gz KESQWJCJWLROIQ-KGLIPLIRSA-N 2 1 318.421 -0.589 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001267732241 835581215 /nfs/dbraw/zinc/58/12/15/835581215.db2.gz KESQWJCJWLROIQ-KGLIPLIRSA-N 2 1 318.421 -0.589 20 30 DBEDMP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC)[NH2+]CC(=O)NCC#N ZINC001267804936 835599888 /nfs/dbraw/zinc/59/98/88/835599888.db2.gz MRERZMDAQJNWTD-MELADBBJSA-N 2 1 323.441 -0.159 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC(=O)NCC#N)C1CC1 ZINC001267859237 835606785 /nfs/dbraw/zinc/60/67/85/835606785.db2.gz JCCSRBBVEKYIIT-CJNGLKHVSA-N 2 1 321.425 -0.405 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001268353289 835675003 /nfs/dbraw/zinc/67/50/03/835675003.db2.gz DYEVBTGNRYUUEH-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+]CC[C@H](C)NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001268353289 835675008 /nfs/dbraw/zinc/67/50/08/835675008.db2.gz DYEVBTGNRYUUEH-QWHCGFSZSA-N 2 1 312.414 -0.896 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NCC=C ZINC001268648570 835766002 /nfs/dbraw/zinc/76/60/02/835766002.db2.gz NIEHYUDFCKUDLK-KFWWJZLASA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+][C@H](C)C(=O)NCC=C ZINC001268648570 835766010 /nfs/dbraw/zinc/76/60/10/835766010.db2.gz NIEHYUDFCKUDLK-KFWWJZLASA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001268648358 835766254 /nfs/dbraw/zinc/76/62/54/835766254.db2.gz FOZLGDIFIANCAA-KGLIPLIRSA-N 2 1 321.425 -0.797 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCN1CCNC1=O ZINC001268648358 835766262 /nfs/dbraw/zinc/76/62/62/835766262.db2.gz FOZLGDIFIANCAA-KGLIPLIRSA-N 2 1 321.425 -0.797 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001268658064 835768763 /nfs/dbraw/zinc/76/87/63/835768763.db2.gz DPFKOMOFOKHDCQ-HUUCEWRRSA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001268658063 835769149 /nfs/dbraw/zinc/76/91/49/835769149.db2.gz DPFKOMOFOKHDCQ-CABCVRRESA-N 2 1 322.453 -0.048 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268747305 835798148 /nfs/dbraw/zinc/79/81/48/835798148.db2.gz QJWMQPZVBXVWSE-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001268747305 835798156 /nfs/dbraw/zinc/79/81/56/835798156.db2.gz QJWMQPZVBXVWSE-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001268747305 835798166 /nfs/dbraw/zinc/79/81/66/835798166.db2.gz QJWMQPZVBXVWSE-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)C[C@H](C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001268747305 835798177 /nfs/dbraw/zinc/79/81/77/835798177.db2.gz QJWMQPZVBXVWSE-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485373016 1013168248 /nfs/dbraw/zinc/16/82/48/1013168248.db2.gz IAJKCJIHWNGKEM-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@H](C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001485373016 1013168255 /nfs/dbraw/zinc/16/82/55/1013168255.db2.gz IAJKCJIHWNGKEM-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373016 1013168265 /nfs/dbraw/zinc/16/82/65/1013168265.db2.gz IAJKCJIHWNGKEM-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001485373016 1013168274 /nfs/dbraw/zinc/16/82/74/1013168274.db2.gz IAJKCJIHWNGKEM-KGLIPLIRSA-N 2 1 308.426 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485578122 1013278055 /nfs/dbraw/zinc/27/80/55/1013278055.db2.gz VDZCFWLMDSYUQR-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001485578122 1013278059 /nfs/dbraw/zinc/27/80/59/1013278059.db2.gz VDZCFWLMDSYUQR-CQSZACIVSA-N 2 1 322.453 -0.096 20 30 DBEDMP C[C@@H](CCC[NH2+]CC(=O)NCC#N)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001485714225 1013333589 /nfs/dbraw/zinc/33/35/89/1013333589.db2.gz CGXKAVVUBGVFKP-STQMWFEESA-N 2 1 309.414 -0.405 20 30 DBEDMP C#CCC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCN2C[C@@H]3C)CC1 ZINC001527802416 1014296723 /nfs/dbraw/zinc/29/67/23/1014296723.db2.gz ACZSUPBUTLTERH-HOCLYGCPSA-N 2 1 304.438 -0.021 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001052958396 977843302 /nfs/dbraw/zinc/84/33/02/977843302.db2.gz MWUJYDICJGVVBQ-OAHLLOKOSA-N 2 1 320.437 -0.212 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001207737631 978250405 /nfs/dbraw/zinc/25/04/05/978250405.db2.gz ISYHCEDFNISDJS-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001207737631 978250417 /nfs/dbraw/zinc/25/04/17/978250417.db2.gz ISYHCEDFNISDJS-KBPBESRZSA-N 2 1 324.425 -0.800 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208352466 978349425 /nfs/dbraw/zinc/34/94/25/978349425.db2.gz GDUNINGBLKTJTC-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC001208352466 978349439 /nfs/dbraw/zinc/34/94/39/978349439.db2.gz GDUNINGBLKTJTC-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001209643636 978470275 /nfs/dbraw/zinc/47/02/75/978470275.db2.gz UOYRONZIMPSNPR-ZIAGYGMSSA-N 2 1 321.425 -0.451 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001210528936 978517231 /nfs/dbraw/zinc/51/72/31/978517231.db2.gz NPPRTCNRJMQFDG-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH+]1C[C@@H](C)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001210528936 978517236 /nfs/dbraw/zinc/51/72/36/978517236.db2.gz NPPRTCNRJMQFDG-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210528936 978517240 /nfs/dbraw/zinc/51/72/40/978517240.db2.gz NPPRTCNRJMQFDG-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C[NH+](C)CCC)C1 ZINC001210528936 978517248 /nfs/dbraw/zinc/51/72/48/978517248.db2.gz NPPRTCNRJMQFDG-RBSFLKMASA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001210673866 978524746 /nfs/dbraw/zinc/52/47/46/978524746.db2.gz IKUZUVQHIJGDIA-LSDHHAIUSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001210673863 978526375 /nfs/dbraw/zinc/52/63/75/978526375.db2.gz IKUZUVQHIJGDIA-CABCVRRESA-N 2 1 320.437 -0.342 20 30 DBEDMP C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026303 978550087 /nfs/dbraw/zinc/55/00/87/978550087.db2.gz YUNGNIMOPWPAMC-MGPQQGTHSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001211026303 978550092 /nfs/dbraw/zinc/55/00/92/978550092.db2.gz YUNGNIMOPWPAMC-MGPQQGTHSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211026303 978550097 /nfs/dbraw/zinc/55/00/97/978550097.db2.gz YUNGNIMOPWPAMC-MGPQQGTHSA-N 2 1 308.426 -0.323 20 30 DBEDMP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001211026303 978550098 /nfs/dbraw/zinc/55/00/98/978550098.db2.gz YUNGNIMOPWPAMC-MGPQQGTHSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001211064243 978553822 /nfs/dbraw/zinc/55/38/22/978553822.db2.gz LLGZUZNILXVWOD-KGLIPLIRSA-N 2 1 306.410 -0.732 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1CCC[C@H]([NH2+]CC(=O)NCC#N)C1 ZINC001211268018 978562117 /nfs/dbraw/zinc/56/21/17/978562117.db2.gz GCDYQPJLMJLUJO-ZDUSSCGKSA-N 2 1 309.414 -0.453 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CCC)C[C@H]1C ZINC001216490971 978787731 /nfs/dbraw/zinc/78/77/31/978787731.db2.gz YWGFCMBNUOWZBM-HUUCEWRRSA-N 2 1 322.453 -0.096 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216749923 978792034 /nfs/dbraw/zinc/79/20/34/978792034.db2.gz HCJAWGBTCIPWJP-MGPQQGTHSA-N 2 1 306.410 -0.876 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)C[C@H]1C ZINC001216754009 978793249 /nfs/dbraw/zinc/79/32/49/978793249.db2.gz DFZBRUHZYUTXOH-HZSPNIEDSA-N 2 1 308.426 -0.323 20 30 DBEDMP C#CCC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548071 979230612 /nfs/dbraw/zinc/23/06/12/979230612.db2.gz VJIPDYFHYPHPRB-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCC[N@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220548071 979230622 /nfs/dbraw/zinc/23/06/22/979230622.db2.gz VJIPDYFHYPHPRB-CVEARBPZSA-N 2 1 323.437 -0.327 20 30 DBEDMP C=C(C)C[N@@H+]1C[C@@H](NC(=O)COC2CC[NH+](C)CC2)[C@@H](O)C1 ZINC001220638131 979254287 /nfs/dbraw/zinc/25/42/87/979254287.db2.gz SXBOWOIDHAISHI-CABCVRRESA-N 2 1 311.426 -0.165 20 30 DBEDMP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001222640907 979522028 /nfs/dbraw/zinc/52/20/28/979522028.db2.gz DQRJFOHXWSBPSL-CQSZACIVSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001222640907 979522032 /nfs/dbraw/zinc/52/20/32/979522032.db2.gz DQRJFOHXWSBPSL-CQSZACIVSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223431430 979550970 /nfs/dbraw/zinc/55/09/70/979550970.db2.gz ZVRVJDBZKBIODX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C[NH+](C)CCC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001223431430 979550976 /nfs/dbraw/zinc/55/09/76/979550976.db2.gz ZVRVJDBZKBIODX-KGLIPLIRSA-N 2 1 321.425 -0.499 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001330609662 979827463 /nfs/dbraw/zinc/82/74/63/979827463.db2.gz FHPVMLVYUIHWJJ-IHRRRGAJSA-N 2 1 306.410 -0.686 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CC(=O)NC)C1 ZINC001330609662 979827465 /nfs/dbraw/zinc/82/74/65/979827465.db2.gz FHPVMLVYUIHWJJ-IHRRRGAJSA-N 2 1 306.410 -0.686 20 30 DBEDMP CN1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)CC[N@@H+](C)CC1 ZINC001343027216 979916133 /nfs/dbraw/zinc/91/61/33/979916133.db2.gz ZYATXCUSGYRHSS-ISXOHVOVSA-N 2 1 319.453 -0.168 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C ZINC001346373496 980136471 /nfs/dbraw/zinc/13/64/71/980136471.db2.gz GHIPIXQZNRNAAV-HUUCEWRRSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC001346373496 980136477 /nfs/dbraw/zinc/13/64/77/980136477.db2.gz GHIPIXQZNRNAAV-HUUCEWRRSA-N 2 1 309.458 -0.125 20 30 DBEDMP C#CC[NH+](C)CCCNC(=O)N[C@H](C)[C@H]1C[N@@H+](C)CCN1C ZINC001346373496 980136483 /nfs/dbraw/zinc/13/64/83/980136483.db2.gz GHIPIXQZNRNAAV-HUUCEWRRSA-N 2 1 309.458 -0.125 20 30 DBEDMP O=C(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1N=CC=CC1=O ZINC001348446942 980308290 /nfs/dbraw/zinc/30/82/90/980308290.db2.gz MGGYFXXYHDGDAQ-XROPSADXSA-N 2 1 308.382 -0.441 20 30 DBEDMP N#CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC001349170445 980420012 /nfs/dbraw/zinc/42/00/12/980420012.db2.gz RWGFLOZIHPWQAK-STQMWFEESA-N 2 1 307.398 -0.570 20 30 DBEDMP C#CC[N@H+](C)CCCNC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC001351994364 980706027 /nfs/dbraw/zinc/70/60/27/980706027.db2.gz AKLQBZSKMYGVAG-HNNXBMFYSA-N 2 1 309.458 -0.123 20 30 DBEDMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H]1CC)[NH+](C)C ZINC001489131889 1014685001 /nfs/dbraw/zinc/68/50/01/1014685001.db2.gz BFEYYRYGBCPEBD-MJBXVCDLSA-N 2 1 323.441 -0.065 20 30 DBEDMP CC[C@@H](C(=O)N[C@H]1CC[N@@H+](CC(=O)NCC#N)[C@@H]1CC)[NH+](C)C ZINC001489131889 1014685007 /nfs/dbraw/zinc/68/50/07/1014685007.db2.gz BFEYYRYGBCPEBD-MJBXVCDLSA-N 2 1 323.441 -0.065 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001354619143 980863229 /nfs/dbraw/zinc/86/32/29/980863229.db2.gz ITEQQXHEDMWMQD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CCC[N@H+]1C ZINC001354619143 980863233 /nfs/dbraw/zinc/86/32/33/980863233.db2.gz ITEQQXHEDMWMQD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001354619143 980863237 /nfs/dbraw/zinc/86/32/37/980863237.db2.gz ITEQQXHEDMWMQD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C ZINC001354619143 980863242 /nfs/dbraw/zinc/86/32/42/980863242.db2.gz ITEQQXHEDMWMQD-KFWWJZLASA-N 2 1 320.437 -0.201 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001530553490 1014735329 /nfs/dbraw/zinc/73/53/29/1014735329.db2.gz TZTDKYYBMZIXAW-GJZGRUSLSA-N 2 1 320.437 -0.249 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001530553490 1014735342 /nfs/dbraw/zinc/73/53/42/1014735342.db2.gz TZTDKYYBMZIXAW-GJZGRUSLSA-N 2 1 320.437 -0.249 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC001490734465 1015099536 /nfs/dbraw/zinc/09/95/36/1015099536.db2.gz AYPSGESBFDMOEM-UONOGXRCSA-N 2 1 308.426 -0.275 20 30 DBEDMP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001491334529 1015359009 /nfs/dbraw/zinc/35/90/09/1015359009.db2.gz KASJUZOYQYKPRC-XPABHHOTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001491334529 1015359015 /nfs/dbraw/zinc/35/90/15/1015359015.db2.gz KASJUZOYQYKPRC-XPABHHOTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C=CCNC(=O)[C@H](C)[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001491334529 1015359025 /nfs/dbraw/zinc/35/90/25/1015359025.db2.gz KASJUZOYQYKPRC-XPABHHOTSA-N 2 1 320.437 -0.325 20 30 DBEDMP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH2+]CC(=O)NCC#N ZINC001491560557 1015488925 /nfs/dbraw/zinc/48/89/25/1015488925.db2.gz PUYFPWIXWBOGDO-AVGNSLFASA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cn1cc[nH+]c1C(C)C ZINC001491596613 1015507976 /nfs/dbraw/zinc/50/79/76/1015507976.db2.gz VDAXSXBSNHUPEJ-ZDUSSCGKSA-N 2 1 319.409 -0.150 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001491947109 1015677325 /nfs/dbraw/zinc/67/73/25/1015677325.db2.gz PCLFZIYWNQJREA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001491947109 1015677332 /nfs/dbraw/zinc/67/73/32/1015677332.db2.gz PCLFZIYWNQJREA-ZDUSSCGKSA-N 2 1 309.414 -0.499 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491958206 1015680544 /nfs/dbraw/zinc/68/05/44/1015680544.db2.gz AWCIQJUGGHVEAS-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001491958206 1015680547 /nfs/dbraw/zinc/68/05/47/1015680547.db2.gz AWCIQJUGGHVEAS-CABCVRRESA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001493029898 1015840836 /nfs/dbraw/zinc/84/08/36/1015840836.db2.gz XWZWPFVQQKOXDI-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CCNC(=O)C[N@@H+](CC)CCNC(=O)CC1CC[NH+](C)CC1 ZINC001493029898 1015840838 /nfs/dbraw/zinc/84/08/38/1015840838.db2.gz XWZWPFVQQKOXDI-UHFFFAOYSA-N 2 1 322.453 -0.094 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)N1CCC1 ZINC001495002956 1016515399 /nfs/dbraw/zinc/51/53/99/1016515399.db2.gz OGRRCBBENRTQRL-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC(=O)N1CCC1 ZINC001495002956 1016515408 /nfs/dbraw/zinc/51/54/08/1016515408.db2.gz OGRRCBBENRTQRL-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP CCN(CCC#N)C(=O)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001445648572 1008413644 /nfs/dbraw/zinc/41/36/44/1008413644.db2.gz NLAMCVSGRSASAM-UONOGXRCSA-N 2 1 323.441 -0.205 20 30 DBEDMP CN(C)C(=O)C[NH+]1CCC(NC(=O)NCC#CC[NH+](C)C)CC1 ZINC001468613571 1009575725 /nfs/dbraw/zinc/57/57/25/1009575725.db2.gz NDOKYTGBTUAWBT-UHFFFAOYSA-N 2 1 323.441 -0.597 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001479287223 1010236909 /nfs/dbraw/zinc/23/69/09/1010236909.db2.gz UFTXBFZSKRUGDN-HZSPNIEDSA-N 2 1 324.425 -0.896 20 30 DBEDMP C=CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001479287223 1010236929 /nfs/dbraw/zinc/23/69/29/1010236929.db2.gz UFTXBFZSKRUGDN-HZSPNIEDSA-N 2 1 324.425 -0.896 20 30 DBEDMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001479302827 1010242656 /nfs/dbraw/zinc/24/26/56/1010242656.db2.gz SEBVZFCLAWXZKR-HZSPNIEDSA-N 2 1 321.425 -0.405 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001479416299 1010284792 /nfs/dbraw/zinc/28/47/92/1010284792.db2.gz YCWPKPUSRZLQKG-KBUPBQIOSA-N 2 1 320.437 -0.440 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001479453942 1010290126 /nfs/dbraw/zinc/29/01/26/1010290126.db2.gz ITZUFORDNBELGG-ZNMIVQPWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(=O)NC)C1 ZINC001479453942 1010290151 /nfs/dbraw/zinc/29/01/51/1010290151.db2.gz ITZUFORDNBELGG-ZNMIVQPWSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H](O)COC)C2)CC1 ZINC001479972626 1010489274 /nfs/dbraw/zinc/48/92/74/1010489274.db2.gz VKGYRPGPOARWDX-HZPDHXFCSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001480196266 1010570592 /nfs/dbraw/zinc/57/05/92/1010570592.db2.gz IDNCULMUOOGTBF-FQUUOJAGSA-N 2 1 306.410 -0.545 20 30 DBEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263249 1010595988 /nfs/dbraw/zinc/59/59/88/1010595988.db2.gz MEKHZSKWYOMOIW-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001480263249 1010595999 /nfs/dbraw/zinc/59/59/99/1010595999.db2.gz MEKHZSKWYOMOIW-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)[NH2+]CC(=O)NCC#N ZINC001480536711 1010684838 /nfs/dbraw/zinc/68/48/38/1010684838.db2.gz JLUHVVWQAUEXRW-GFCCVEGCSA-N 2 1 311.430 -0.302 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001480765203 1010756201 /nfs/dbraw/zinc/75/62/01/1010756201.db2.gz BBGZNRPTZSTPJC-BFHYXJOUSA-N 2 1 308.426 -0.440 20 30 DBEDMP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194122 1010858704 /nfs/dbraw/zinc/85/87/04/1010858704.db2.gz CGYYQSDTDPLTKK-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[N@H+]1CC[C@H](CC(=O)NCC[NH+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194122 1010858710 /nfs/dbraw/zinc/85/87/10/1010858710.db2.gz CGYYQSDTDPLTKK-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@H](CC(=O)NCC[N@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194122 1010858715 /nfs/dbraw/zinc/85/87/15/1010858715.db2.gz CGYYQSDTDPLTKK-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C[NH+]1CC[C@H](CC(=O)NCC[N@@H+](CC(=O)NCC#N)C2CC2)C1 ZINC001481194122 1010858717 /nfs/dbraw/zinc/85/87/17/1010858717.db2.gz CGYYQSDTDPLTKK-CYBMUJFWSA-N 2 1 321.425 -0.451 20 30 DBEDMP C=CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001481654824 1010952628 /nfs/dbraw/zinc/95/26/28/1010952628.db2.gz LKZBPQQLZQEBGL-CYBMUJFWSA-N 2 1 320.437 -0.179 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001481824290 1011008749 /nfs/dbraw/zinc/00/87/49/1011008749.db2.gz SAWNYPHBJKCFDN-UONOGXRCSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](C)CNC(=O)Cn1cc[nH+]c1C ZINC001482167483 1011070772 /nfs/dbraw/zinc/07/07/72/1011070772.db2.gz FDNHRQFBDLOXFP-QWHCGFSZSA-N 2 1 319.409 -0.329 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)Cn1c[nH+]cc1C ZINC001482310049 1011115092 /nfs/dbraw/zinc/11/50/92/1011115092.db2.gz MSJQWXFETRCJOL-JSGCOSHPSA-N 2 1 319.409 -0.234 20 30 DBEDMP C[C@@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001482329606 1011119924 /nfs/dbraw/zinc/11/99/24/1011119924.db2.gz CRDYJKPLIIPJPT-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001482331221 1011121243 /nfs/dbraw/zinc/12/12/43/1011121243.db2.gz OTGYVVSIKKCSKU-KBPBESRZSA-N 2 1 308.426 -0.486 20 30 DBEDMP C[C@H](C[NH2+]CC(=O)NCC#N)N(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482353991 1011126306 /nfs/dbraw/zinc/12/63/06/1011126306.db2.gz MVINSMWKTUPYBT-OLZOCXBDSA-N 2 1 309.414 -0.596 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001497209252 1017310604 /nfs/dbraw/zinc/31/06/04/1017310604.db2.gz VZUHWCNOWBMBMJ-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001497209252 1017310614 /nfs/dbraw/zinc/31/06/14/1017310614.db2.gz VZUHWCNOWBMBMJ-CABCVRRESA-N 2 1 318.421 -0.682 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001482962796 1011562059 /nfs/dbraw/zinc/56/20/59/1011562059.db2.gz BHNTWIMCIJYZAM-GJZGRUSLSA-N 2 1 322.453 -0.096 20 30 DBEDMP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N ZINC001483272448 1011821733 /nfs/dbraw/zinc/82/17/33/1011821733.db2.gz YAKIQGOKLQCODN-KBPBESRZSA-N 2 1 323.441 -0.017 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001483486346 1011887634 /nfs/dbraw/zinc/88/76/34/1011887634.db2.gz CSTXMTQZKAJYER-KBPBESRZSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001484252562 1012465195 /nfs/dbraw/zinc/46/51/95/1012465195.db2.gz VGWMHSDSWHIITJ-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[NH+]1CC[C@@](O)(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001484252562 1012465201 /nfs/dbraw/zinc/46/52/01/1012465201.db2.gz VGWMHSDSWHIITJ-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001484252562 1012465212 /nfs/dbraw/zinc/46/52/12/1012465212.db2.gz VGWMHSDSWHIITJ-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCC[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001484252562 1012465223 /nfs/dbraw/zinc/46/52/23/1012465223.db2.gz VGWMHSDSWHIITJ-GOEBONIOSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[NH2+]C[C@H]1CN(C(=O)Cn2c[nH+]cc2C)CCO1 ZINC001484685252 1012827072 /nfs/dbraw/zinc/82/70/72/1012827072.db2.gz OLXMCXGYEJDTDX-HNNXBMFYSA-N 2 1 320.393 -0.342 20 30 DBEDMP C=CCOCC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCO1 ZINC001484700073 1012837001 /nfs/dbraw/zinc/83/70/01/1012837001.db2.gz XCGGGNXCEWRRPP-HUUCEWRRSA-N 2 1 311.426 -0.042 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCOC)C1 ZINC001484842740 1012872515 /nfs/dbraw/zinc/87/25/15/1012872515.db2.gz XIKIWXXFWBSXBS-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@](CO)([NH2+]CCOC)C1 ZINC001484842740 1012872517 /nfs/dbraw/zinc/87/25/17/1012872517.db2.gz XIKIWXXFWBSXBS-RDJZCZTQSA-N 2 1 323.437 -0.327 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484986931 1012926858 /nfs/dbraw/zinc/92/68/58/1012926858.db2.gz VYXZPJFSLOVQTG-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C[C@H]1C ZINC001484986931 1012926863 /nfs/dbraw/zinc/92/68/63/1012926863.db2.gz VYXZPJFSLOVQTG-HUUCEWRRSA-N 2 1 320.437 -0.199 20 30 DBEDMP C=C(Cl)C[NH2+]C[C@H](O)CNC(=O)CC[NH+]1CCOCC1 ZINC001497078400 1017245460 /nfs/dbraw/zinc/24/54/60/1017245460.db2.gz XRBNKTQPSMSFRU-LBPRGKRZSA-N 2 1 305.806 -0.472 20 30 DBEDMP C[N@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N ZINC001497613142 1017444218 /nfs/dbraw/zinc/44/42/18/1017444218.db2.gz XXZHNZGTUCRBNC-SCOBNMCVSA-N 2 1 307.398 -0.628 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001497825053 1017514497 /nfs/dbraw/zinc/51/44/97/1017514497.db2.gz HJLKAQDPJRVWOV-ZIAGYGMSSA-N 2 1 308.426 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NCC=C ZINC001498055238 1017596218 /nfs/dbraw/zinc/59/62/18/1017596218.db2.gz NIEHYUDFCKUDLK-ZNMIVQPWSA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+][C@H](C)C(=O)NCC=C ZINC001498055238 1017596229 /nfs/dbraw/zinc/59/62/29/1017596229.db2.gz NIEHYUDFCKUDLK-ZNMIVQPWSA-N 2 1 320.437 -0.131 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cn(C)nn1 ZINC001498559283 1017828913 /nfs/dbraw/zinc/82/89/13/1017828913.db2.gz CENQILJEERBZFM-HNNXBMFYSA-N 2 1 318.425 -0.149 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cn(C)nn1 ZINC001498559283 1017828914 /nfs/dbraw/zinc/82/89/14/1017828914.db2.gz CENQILJEERBZFM-HNNXBMFYSA-N 2 1 318.425 -0.149 20 30 DBEDMP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)CC[N@H+]1C ZINC001499331315 1018075099 /nfs/dbraw/zinc/07/50/99/1018075099.db2.gz TUMHKSKZYBKKLI-STQMWFEESA-N 2 1 321.425 -0.405 20 30 DBEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001500652780 1018389476 /nfs/dbraw/zinc/38/94/76/1018389476.db2.gz CGXXCOGEJMNSJM-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[NH+]1CC[C@](O)(CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001500652780 1018389485 /nfs/dbraw/zinc/38/94/85/1018389485.db2.gz CGXXCOGEJMNSJM-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500652780 1018389490 /nfs/dbraw/zinc/38/94/90/1018389490.db2.gz CGXXCOGEJMNSJM-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CCCC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001500652780 1018389499 /nfs/dbraw/zinc/38/94/99/1018389499.db2.gz CGXXCOGEJMNSJM-HOCLYGCPSA-N 2 1 311.426 -0.164 20 30 DBEDMP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001500706636 1018419750 /nfs/dbraw/zinc/41/97/50/1018419750.db2.gz KLHBANHSHNVOJX-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001500706636 1018419760 /nfs/dbraw/zinc/41/97/60/1018419760.db2.gz KLHBANHSHNVOJX-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP COCC#CC[NH+]1CC[C@](O)(CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001500706636 1018419769 /nfs/dbraw/zinc/41/97/69/1018419769.db2.gz KLHBANHSHNVOJX-ZBFHGGJFSA-N 2 1 309.410 -0.717 20 30 DBEDMP CC(C)[N@@H+](C)CC(=O)N1C[C@@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001501152700 1018586286 /nfs/dbraw/zinc/58/62/86/1018586286.db2.gz CFFUBGUNCFCFPI-KGLIPLIRSA-N 2 1 323.441 -0.350 20 30 DBEDMP CN(CCC[N@@H+](C)CC(=O)NCC#N)C(=O)C1CC[NH+](C)CC1 ZINC001502369292 1019031481 /nfs/dbraw/zinc/03/14/81/1019031481.db2.gz GFHLKTHZBXYJBX-UHFFFAOYSA-N 2 1 323.441 -0.252 20 30 DBEDMP CCC[N@@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001502754874 1019167777 /nfs/dbraw/zinc/16/77/77/1019167777.db2.gz YMQBLUHQTANBOE-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506065538 1019701161 /nfs/dbraw/zinc/70/11/61/1019701161.db2.gz QRMHMRYXHCOBLD-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](C)[N@H+](C)[C@@H](C)C(=O)NC)CC1 ZINC001506065538 1019701179 /nfs/dbraw/zinc/70/11/79/1019701179.db2.gz QRMHMRYXHCOBLD-KGLIPLIRSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCCO)C1 ZINC001506626860 1019878293 /nfs/dbraw/zinc/87/82/93/1019878293.db2.gz NAECQMOUHOOAPF-ZBFHGGJFSA-N 2 1 323.437 -0.471 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCOCCO)C1 ZINC001506626860 1019878295 /nfs/dbraw/zinc/87/82/95/1019878295.db2.gz NAECQMOUHOOAPF-ZBFHGGJFSA-N 2 1 323.437 -0.471 20 30 DBEDMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC(=O)NCC#N ZINC001507083606 1020080826 /nfs/dbraw/zinc/08/08/26/1020080826.db2.gz UFKQXHWLGDGOTN-ZIAGYGMSSA-N 2 1 323.441 -0.063 20 30 DBEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001507730671 1020487767 /nfs/dbraw/zinc/48/77/67/1020487767.db2.gz VFSDAUDCXUOPKT-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001507730671 1020487775 /nfs/dbraw/zinc/48/77/75/1020487775.db2.gz VFSDAUDCXUOPKT-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001507730671 1020487792 /nfs/dbraw/zinc/48/77/92/1020487792.db2.gz VFSDAUDCXUOPKT-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP CC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1C[NH+](CC)CCO1 ZINC001507730671 1020487802 /nfs/dbraw/zinc/48/78/02/1020487802.db2.gz VFSDAUDCXUOPKT-GJZGRUSLSA-N 2 1 311.426 -0.519 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001566021762 1024107926 /nfs/dbraw/zinc/10/79/26/1024107926.db2.gz OOYNXODYWLWLQZ-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)[C@H]1CC ZINC001566021762 1024107943 /nfs/dbraw/zinc/10/79/43/1024107943.db2.gz OOYNXODYWLWLQZ-UONOGXRCSA-N 2 1 308.426 -0.343 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](CC)[C@@H](C)C(N)=O ZINC001566553541 1024246209 /nfs/dbraw/zinc/24/62/09/1024246209.db2.gz XLRSPHPLPZKTJQ-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](CC)[C@@H](C)C(N)=O ZINC001566553541 1024246229 /nfs/dbraw/zinc/24/62/29/1024246229.db2.gz XLRSPHPLPZKTJQ-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H](C)C(N)=O ZINC001566553541 1024246244 /nfs/dbraw/zinc/24/62/44/1024246244.db2.gz XLRSPHPLPZKTJQ-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC)[C@@H](C)C(N)=O ZINC001566553541 1024246266 /nfs/dbraw/zinc/24/62/66/1024246266.db2.gz XLRSPHPLPZKTJQ-KBPBESRZSA-N 2 1 308.426 -0.214 20 30 DBEDMP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001567017335 1024472429 /nfs/dbraw/zinc/47/24/29/1024472429.db2.gz YYXMANLAQCBILD-UONOGXRCSA-N 2 1 308.426 -0.297 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)C[C@@H](O)COC)CC1 ZINC001567324647 1024631444 /nfs/dbraw/zinc/63/14/44/1024631444.db2.gz WMMPPXXGHHNAIL-OAHLLOKOSA-N 2 1 311.426 -0.613 20 30 DBEDMP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410263 1024677282 /nfs/dbraw/zinc/67/72/82/1024677282.db2.gz YPJUJTHSEWVPSR-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+](CC(=O)NCC#N)C2)C1 ZINC001567410263 1024677302 /nfs/dbraw/zinc/67/73/02/1024677302.db2.gz YPJUJTHSEWVPSR-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)C1 ZINC001567410263 1024677314 /nfs/dbraw/zinc/67/73/14/1024677314.db2.gz YPJUJTHSEWVPSR-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)C1 ZINC001567410263 1024677321 /nfs/dbraw/zinc/67/73/21/1024677321.db2.gz YPJUJTHSEWVPSR-KBPBESRZSA-N 2 1 321.425 -0.594 20 30 DBEDMP C#CCNC(=O)C[NH2+]CCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@H+]21 ZINC001567515991 1024760167 /nfs/dbraw/zinc/76/01/67/1024760167.db2.gz FPZMUQWPQORVQT-CABCVRRESA-N 2 1 320.437 -0.199 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001567695923 1024810572 /nfs/dbraw/zinc/81/05/72/1024810572.db2.gz HXJVCOSJCIPQMP-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567695923 1024810574 /nfs/dbraw/zinc/81/05/74/1024810574.db2.gz HXJVCOSJCIPQMP-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001567695923 1024810575 /nfs/dbraw/zinc/81/05/75/1024810575.db2.gz HXJVCOSJCIPQMP-GJZGRUSLSA-N 2 1 320.437 -0.342 20 30 DBEDMP CC[C@@H](C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1)[NH+](C)C ZINC001567709644 1024812296 /nfs/dbraw/zinc/81/22/96/1024812296.db2.gz SMSLSAUXHMKUBE-KGLIPLIRSA-N 2 1 323.441 -0.205 20 30 DBEDMP C=CCNC(=O)C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925260 1024847487 /nfs/dbraw/zinc/84/74/87/1024847487.db2.gz KLMJWVFQEQMJDQ-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C=CCNC(=O)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001567925260 1024847495 /nfs/dbraw/zinc/84/74/95/1024847495.db2.gz KLMJWVFQEQMJDQ-CQSZACIVSA-N 2 1 320.437 -0.083 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001567945600 1024848793 /nfs/dbraw/zinc/84/87/93/1024848793.db2.gz RXTONDSSXUACRJ-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001567945600 1024848805 /nfs/dbraw/zinc/84/88/05/1024848805.db2.gz RXTONDSSXUACRJ-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@H+](C)C(C)C)C1 ZINC001567945600 1024848806 /nfs/dbraw/zinc/84/88/06/1024848806.db2.gz RXTONDSSXUACRJ-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@@H](N(CC)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001567945600 1024848808 /nfs/dbraw/zinc/84/88/08/1024848808.db2.gz RXTONDSSXUACRJ-OAHLLOKOSA-N 2 1 322.453 -0.001 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001568172564 1024869433 /nfs/dbraw/zinc/86/94/33/1024869433.db2.gz XHPKEAGBXXPCNX-MGPQQGTHSA-N 2 1 308.426 -0.582 20 30 DBEDMP C[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC001568233201 1024881064 /nfs/dbraw/zinc/88/10/64/1024881064.db2.gz VJKIUCXQUIPRKZ-ZDUSSCGKSA-N 2 1 321.425 -0.261 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001568277622 1024886673 /nfs/dbraw/zinc/88/66/73/1024886673.db2.gz BSYWOBLSAIJXHX-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]C[C@H](O)COC ZINC001568277622 1024886674 /nfs/dbraw/zinc/88/66/74/1024886674.db2.gz BSYWOBLSAIJXHX-KKUMJFAQSA-N 2 1 311.426 -0.472 20 30 DBEDMP Cc1[nH+]ccn1CC(=O)NC[C@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC001568470786 1024906472 /nfs/dbraw/zinc/90/64/72/1024906472.db2.gz VKKHCUGTMGVISD-ZDUSSCGKSA-N 2 1 320.397 -0.438 20 30 DBEDMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH2+]CC(=O)NCC#N)CC[N@H+]1C ZINC001569058443 1025126211 /nfs/dbraw/zinc/12/62/11/1025126211.db2.gz DVGFRKBLOPHISZ-RWMBFGLXSA-N 2 1 309.414 -0.549 20 30 DBEDMP C#CC[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]Cc2ncnn2C)CC1 ZINC001569098682 1025142775 /nfs/dbraw/zinc/14/27/75/1025142775.db2.gz ADISBYAWAZZDEZ-ZDUSSCGKSA-N 2 1 318.425 -0.245 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC1 ZINC001569307506 1025195493 /nfs/dbraw/zinc/19/54/93/1025195493.db2.gz JICIGRBSGYGRLZ-LSDHHAIUSA-N 2 1 320.437 -0.296 20 30 DBEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001569306775 1025195568 /nfs/dbraw/zinc/19/55/68/1025195568.db2.gz UVXOOQSRBWKCNJ-CABCVRRESA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC(=O)N(C)C)C1CC1 ZINC001569306775 1025195580 /nfs/dbraw/zinc/19/55/80/1025195580.db2.gz UVXOOQSRBWKCNJ-CABCVRRESA-N 2 1 320.437 -0.343 20 30 DBEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001569534193 1025270808 /nfs/dbraw/zinc/27/08/08/1025270808.db2.gz FDODZKMLTLWZGK-KBPBESRZSA-N 2 1 306.410 -0.589 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001569652981 1025300362 /nfs/dbraw/zinc/30/03/62/1025300362.db2.gz CKXAPVUWLDRXNW-CJNGLKHVSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[NH+]1CC[C@](C)(NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001569652981 1025300373 /nfs/dbraw/zinc/30/03/73/1025300373.db2.gz CKXAPVUWLDRXNW-CJNGLKHVSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652981 1025300385 /nfs/dbraw/zinc/30/03/85/1025300385.db2.gz CKXAPVUWLDRXNW-CJNGLKHVSA-N 2 1 306.410 -0.732 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001569652981 1025300397 /nfs/dbraw/zinc/30/03/97/1025300397.db2.gz CKXAPVUWLDRXNW-CJNGLKHVSA-N 2 1 306.410 -0.732 20 30 DBEDMP COCC#CC[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001569757122 1025336345 /nfs/dbraw/zinc/33/63/45/1025336345.db2.gz BBFWISITTSCFCD-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001569757122 1025336364 /nfs/dbraw/zinc/33/63/64/1025336364.db2.gz BBFWISITTSCFCD-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP COCC#CC[NH+]1CC[C@@](O)(CNC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001569757122 1025336382 /nfs/dbraw/zinc/33/63/82/1025336382.db2.gz BBFWISITTSCFCD-DOTOQJQBSA-N 2 1 323.437 -0.469 20 30 DBEDMP C=CC[N@@H+]1CC[C@@](O)(CNC(=O)COC2CC[NH+](C)CC2)C1 ZINC001569763660 1025340730 /nfs/dbraw/zinc/34/07/30/1025340730.db2.gz SRSFNQZCUDFPNZ-MRXNPFEDSA-N 2 1 311.426 -0.164 20 30 DBEDMP C=CC[N@@H+]1CC[C@](O)(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001569760692 1025344343 /nfs/dbraw/zinc/34/43/43/1025344343.db2.gz YYCIIBJJUGKMHW-INIZCTEOSA-N 2 1 321.425 -0.203 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001570411028 1025604892 /nfs/dbraw/zinc/60/48/92/1025604892.db2.gz VZEADJNPRRCBJM-CQSZACIVSA-N 2 1 309.410 -0.717 20 30 DBEDMP CC#CC[NH2+]CC1(O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001570411028 1025604903 /nfs/dbraw/zinc/60/49/03/1025604903.db2.gz VZEADJNPRRCBJM-CQSZACIVSA-N 2 1 309.410 -0.717 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001570712666 1025706607 /nfs/dbraw/zinc/70/66/07/1025706607.db2.gz PBOPBROVBKSUNB-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CC[N@@H+](C)[C@@H]1CC ZINC001570712666 1025706647 /nfs/dbraw/zinc/70/66/47/1025706647.db2.gz PBOPBROVBKSUNB-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712666 1025706670 /nfs/dbraw/zinc/70/66/70/1025706670.db2.gz PBOPBROVBKSUNB-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001570712666 1025706693 /nfs/dbraw/zinc/70/66/93/1025706693.db2.gz PBOPBROVBKSUNB-SOUVJXGZSA-N 2 1 322.453 -0.097 20 30 DBEDMP C#CCNC(=O)C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570733605 1025727281 /nfs/dbraw/zinc/72/72/81/1025727281.db2.gz CWMFJLCFXMOEDT-UKRRQHHQSA-N 2 1 310.442 -0.242 20 30 DBEDMP C#CCNC(=O)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001570733605 1025727308 /nfs/dbraw/zinc/72/73/08/1025727308.db2.gz CWMFJLCFXMOEDT-UKRRQHHQSA-N 2 1 310.442 -0.242 20 30 DBEDMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@H+](C)CC(=O)NCC#N ZINC001570747880 1025732798 /nfs/dbraw/zinc/73/27/98/1025732798.db2.gz MQRHCUXPBYKUAG-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[N@@H+](C)CC(=O)NCC#N ZINC001570747880 1025732816 /nfs/dbraw/zinc/73/28/16/1025732816.db2.gz MQRHCUXPBYKUAG-LBPRGKRZSA-N 2 1 307.398 -0.842 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC001570909374 1025795746 /nfs/dbraw/zinc/79/57/46/1025795746.db2.gz INGNOLBFVMCZRZ-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[NH+]1C[C@@H](NC(=O)[C@@H]2CC[N@H+](C)C2)C(C)(C)C1 ZINC001570909374 1025795767 /nfs/dbraw/zinc/79/57/67/1025795767.db2.gz INGNOLBFVMCZRZ-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909374 1025795790 /nfs/dbraw/zinc/79/57/90/1025795790.db2.gz INGNOLBFVMCZRZ-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001570909374 1025795809 /nfs/dbraw/zinc/79/58/09/1025795809.db2.gz INGNOLBFVMCZRZ-ZIAGYGMSSA-N 2 1 320.437 -0.486 20 30 DBEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001571197779 1025882964 /nfs/dbraw/zinc/88/29/64/1025882964.db2.gz LFTTVSFXFVNKPE-KKUMJFAQSA-N 2 1 322.453 -0.051 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1(C)C ZINC001571555323 1026065403 /nfs/dbraw/zinc/06/54/03/1026065403.db2.gz ZZJMPENSUFZERP-GJZGRUSLSA-N 2 1 323.437 -0.207 20 30 DBEDMP COCC#CC[NH2+][C@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1(C)C ZINC001571555323 1026065419 /nfs/dbraw/zinc/06/54/19/1026065419.db2.gz ZZJMPENSUFZERP-GJZGRUSLSA-N 2 1 323.437 -0.207 20 30 DBEDMP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001571608768 1026125076 /nfs/dbraw/zinc/12/50/76/1026125076.db2.gz OXKSERVLEWVNOC-CABCVRRESA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001571608768 1026125093 /nfs/dbraw/zinc/12/50/93/1026125093.db2.gz OXKSERVLEWVNOC-CABCVRRESA-N 2 1 311.426 -0.661 20 30 DBEDMP COCC#CC[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001571608768 1026125106 /nfs/dbraw/zinc/12/51/06/1026125106.db2.gz OXKSERVLEWVNOC-CABCVRRESA-N 2 1 311.426 -0.661 20 30 DBEDMP C[N@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC(=O)NCC#N)C(C)(C)C)C1 ZINC001571637919 1026132709 /nfs/dbraw/zinc/13/27/09/1026132709.db2.gz GRIJMDHAQRJGEK-CHWSQXEVSA-N 2 1 323.441 -0.302 20 30 DBEDMP