smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN1CCN(C(=O)CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000170912739 669740690 /nfs/dbraw/zinc/74/06/90/669740690.db2.gz VQWIBIKVXPNRRC-UHFFFAOYSA-N 2 1 340.472 -1.223 20 30 EAEDMP C[NH+]1CCN(C(=O)CCNC(=[NH2+])NCCCN2CCOCC2)CC1 ZINC000170912739 669740685 /nfs/dbraw/zinc/74/06/85/669740685.db2.gz VQWIBIKVXPNRRC-UHFFFAOYSA-N 2 1 340.472 -1.223 20 30 EAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000261712424 668779465 /nfs/dbraw/zinc/77/94/65/668779465.db2.gz KCEWVDXQKWKZQY-CYBMUJFWSA-N 2 1 347.485 -1.235 20 30 EAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000261712425 668779501 /nfs/dbraw/zinc/77/95/01/668779501.db2.gz KCEWVDXQKWKZQY-ZDUSSCGKSA-N 2 1 347.485 -1.235 20 30 EAEDMP C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000262251412 668923376 /nfs/dbraw/zinc/92/33/76/668923376.db2.gz CAIHABBOHXVGGY-CYBMUJFWSA-N 2 1 338.456 -1.112 20 30 EAEDMP C[NH+]=C(NCC(=O)N(C)C)N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000262251413 668923043 /nfs/dbraw/zinc/92/30/43/668923043.db2.gz CAIHABBOHXVGGY-ZDUSSCGKSA-N 2 1 338.456 -1.112 20 30 EAEDMP C[NH+]=C(NCC(=O)N(C)C)NC1CC[NH+](CC(=O)N(C)C)CC1 ZINC000262339282 668459241 /nfs/dbraw/zinc/45/92/41/668459241.db2.gz WRQWFRGKRHQNDJ-UHFFFAOYSA-N 2 1 326.445 -1.208 20 30 EAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000262821640 669002855 /nfs/dbraw/zinc/00/28/55/669002855.db2.gz YITTXYBCUIQHEP-CYBMUJFWSA-N 2 1 347.485 -1.235 20 30 EAEDMP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000262821642 669003151 /nfs/dbraw/zinc/00/31/51/669003151.db2.gz YITTXYBCUIQHEP-ZDUSSCGKSA-N 2 1 347.485 -1.235 20 30 EAEDMP COC(=O)c1cn(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)nn1 ZINC000283869665 374638029 /nfs/dbraw/zinc/63/80/29/374638029.db2.gz GOUCAEYKJMRCBZ-UHFFFAOYSA-N 2 1 339.400 -1.309 20 30 EAEDMP CC(=O)N1CCN(CCNC(=[NH2+])NCCC[NH+]2CCOCC2)CC1 ZINC000303907816 670805760 /nfs/dbraw/zinc/80/57/60/670805760.db2.gz XCTXQVVBJSFVEA-UHFFFAOYSA-N 2 1 340.472 -1.223 20 30 EAEDMP CCS(=O)(=O)NCCCNC(=[NH2+])NCCC[NH+]1CCOCC1 ZINC000303972572 670811389 /nfs/dbraw/zinc/81/13/89/670811389.db2.gz GAKLQMLPBRKQMB-UHFFFAOYSA-N 2 1 335.474 -1.058 20 30 EAEDMP [NH2+]=C(NCCC[NH+]1CCOCC1)NCCN1CCCS1(=O)=O ZINC000303979504 670812503 /nfs/dbraw/zinc/81/25/03/670812503.db2.gz NHJFVTMNAORPKF-UHFFFAOYSA-N 2 1 333.458 -1.352 20 30 EAEDMP CC(C)(CNC(=[NH2+])NCCC[NH+]1CCOCC1)NS(C)(=O)=O ZINC000304736604 671909831 /nfs/dbraw/zinc/90/98/31/671909831.db2.gz AEJXUMVCLYMMHH-UHFFFAOYSA-N 2 1 335.474 -1.059 20 30 EAEDMP CNC(=O)N[C@H]1CCN(CC#CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911099 374666500 /nfs/dbraw/zinc/66/65/00/374666500.db2.gz SQZOOPIQHHJKPF-KBPBESRZSA-N 2 1 336.440 -1.004 20 30 EAEDMP CNC(=O)N[C@H]1CCN(CC#CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911099 374666488 /nfs/dbraw/zinc/66/64/88/374666488.db2.gz SQZOOPIQHHJKPF-KBPBESRZSA-N 2 1 336.440 -1.004 20 30 EAEDMP CNC(=O)N[C@@H]1CCN(CC#CC[N@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667249 /nfs/dbraw/zinc/66/72/49/374667249.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 1 336.440 -1.004 20 30 EAEDMP CNC(=O)N[C@@H]1CCN(CC#CC[N@@H+]2CC[C@H](NC(=O)NC)C2)C1 ZINC000341911100 374667246 /nfs/dbraw/zinc/66/72/46/374667246.db2.gz SQZOOPIQHHJKPF-OKILXGFUSA-N 2 1 336.440 -1.004 20 30 EAEDMP CNC(=O)N[C@@H]1CCN(CC#CC[N@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000341911102 374667591 /nfs/dbraw/zinc/66/75/91/374667591.db2.gz SQZOOPIQHHJKPF-ZIAGYGMSSA-N 2 1 336.440 -1.004 20 30 EAEDMP CNC(=O)N[C@@H]1CCN(CC#CC[N@@H+]2CC[C@@H](NC(=O)NC)C2)C1 ZINC000341911102 374667584 /nfs/dbraw/zinc/66/75/84/374667584.db2.gz SQZOOPIQHHJKPF-ZIAGYGMSSA-N 2 1 336.440 -1.004 20 30 EAEDMP C[C@@H]1CN(CC#CCN2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000342167567 374668519 /nfs/dbraw/zinc/66/85/19/374668519.db2.gz NLLBNLFBEAKWBM-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1CN(CC#CCN2CC[N@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000342167567 374668513 /nfs/dbraw/zinc/66/85/13/374668513.db2.gz NLLBNLFBEAKWBM-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1CN(CC#CCN2CC[NH+](CCO)[C@@H](C)C2)CC[N@H+]1CCO ZINC000342167567 374668510 /nfs/dbraw/zinc/66/85/10/374668510.db2.gz NLLBNLFBEAKWBM-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1CN(CC#CCN2CC[N@@H+](CCO)[C@H](C)C2)CC[NH+]1CCO ZINC000342167568 374668703 /nfs/dbraw/zinc/66/87/03/374668703.db2.gz NLLBNLFBEAKWBM-QZTJIDSGSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@H]1CN(CC#CCN2CC[N@@H+](CCO)[C@@H](C)C2)CC[NH+]1CCO ZINC000342167569 374669258 /nfs/dbraw/zinc/66/92/58/374669258.db2.gz NLLBNLFBEAKWBM-ROUUACIJSA-N 2 1 338.496 -1.013 20 30 EAEDMP N#CCCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424188203 374863752 /nfs/dbraw/zinc/86/37/52/374863752.db2.gz BQSPGPWXTHMHNA-GFCCVEGCSA-N 2 1 329.426 -1.547 20 30 EAEDMP N#CCCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000424188206 374863020 /nfs/dbraw/zinc/86/30/20/374863020.db2.gz BQSPGPWXTHMHNA-LBPRGKRZSA-N 2 1 329.426 -1.547 20 30 EAEDMP N#CCCCC[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000594450015 374468629 /nfs/dbraw/zinc/46/86/29/374468629.db2.gz RDILMQHWQXBZFS-CYBMUJFWSA-N 2 1 343.453 -1.157 20 30 EAEDMP N#CCCCC[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000594450022 374468258 /nfs/dbraw/zinc/46/82/58/374468258.db2.gz RDILMQHWQXBZFS-ZDUSSCGKSA-N 2 1 343.453 -1.157 20 30 EAEDMP C[C@@H]1C[N@H+](CCO)CCN1CC#CCN1CC[NH+](CCO)C[C@@H]1C ZINC000625465232 374306019 /nfs/dbraw/zinc/30/60/19/374306019.db2.gz XXCAWPSCTKBETC-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1C[N@@H+](CCO)CCN1CC#CCN1CC[NH+](CCO)C[C@@H]1C ZINC000625465232 374306014 /nfs/dbraw/zinc/30/60/14/374306014.db2.gz XXCAWPSCTKBETC-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@H+](CCO)C[C@@H]1C ZINC000625465232 374306010 /nfs/dbraw/zinc/30/60/10/374306010.db2.gz XXCAWPSCTKBETC-HDICACEKSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@H+](CCO)C[C@H]1C ZINC000625465247 374304764 /nfs/dbraw/zinc/30/47/64/374304764.db2.gz XXCAWPSCTKBETC-QZTJIDSGSA-N 2 1 338.496 -1.013 20 30 EAEDMP C[C@H]1C[NH+](CCO)CCN1CC#CCN1CC[N@H+](CCO)C[C@@H]1C ZINC000625465250 374304465 /nfs/dbraw/zinc/30/44/65/374304465.db2.gz XXCAWPSCTKBETC-ROUUACIJSA-N 2 1 338.496 -1.013 20 30 EAEDMP O[C@@H]1C[C@H]2CN(CC#CCN3CC[N@H+]4C[C@H](O)C[C@H]4C3)CC[NH+]2C1 ZINC000653829152 415259428 /nfs/dbraw/zinc/25/94/28/415259428.db2.gz AONQZFCJDPVPIC-WNRNVDISSA-N 2 1 334.464 -1.509 20 30 EAEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000843459056 583389175 /nfs/dbraw/zinc/38/91/75/583389175.db2.gz CCPDACIUHYYZHM-ILXRZTDVSA-N 2 1 349.435 -1.073 20 30 EAEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000843459058 583389242 /nfs/dbraw/zinc/38/92/42/583389242.db2.gz CCPDACIUHYYZHM-KFWWJZLASA-N 2 1 349.435 -1.073 20 30 EAEDMP N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000843459060 583389134 /nfs/dbraw/zinc/38/91/34/583389134.db2.gz CCPDACIUHYYZHM-QLFBSQMISA-N 2 1 349.435 -1.073 20 30 EAEDMP N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000843459062 583389255 /nfs/dbraw/zinc/38/92/55/583389255.db2.gz CCPDACIUHYYZHM-RBSFLKMASA-N 2 1 349.435 -1.073 20 30 EAEDMP C[NH+]=C(NCCC(=O)N1CC[NH+](C)CC1)NCCN1CCOCC1 ZINC000849058157 583403827 /nfs/dbraw/zinc/40/38/27/583403827.db2.gz QWEIXPNRLXETNM-UHFFFAOYSA-N 2 1 340.472 -1.352 20 30 EAEDMP O=C(C#CC1CC[NH2+]CC1)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000852892173 583410967 /nfs/dbraw/zinc/41/09/67/583410967.db2.gz GSVNBMCVEPZNGO-UHFFFAOYSA-N 2 1 340.449 -1.565 20 30 EAEDMP C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924810 583452468 /nfs/dbraw/zinc/45/24/68/583452468.db2.gz WWOCNPGHJPDHMC-LLVKDONJSA-N 2 1 336.845 -1.098 20 30 EAEDMP C=C(Cl)C[C@H]([NH3+])C(=O)N1CC(S(=O)(=O)N2CC[NH2+]CC2)C1 ZINC000876924811 583452579 /nfs/dbraw/zinc/45/25/79/583452579.db2.gz WWOCNPGHJPDHMC-NSHDSACASA-N 2 1 336.845 -1.098 20 30 EAEDMP C#CCN(CC(=O)NC[C@H]1CC[NH+]1C)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928571454 668851783 /nfs/dbraw/zinc/85/17/83/668851783.db2.gz NAFRZSBLHJOEAT-GASCZTMLSA-N 2 1 335.452 -1.438 20 30 EAEDMP C#CCN(CC(=O)NC[C@H]1CC[NH+]1C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928571454 668851781 /nfs/dbraw/zinc/85/17/81/668851781.db2.gz NAFRZSBLHJOEAT-GASCZTMLSA-N 2 1 335.452 -1.438 20 30 EAEDMP C#CCN(CC(=O)NC[C@H]1CC[N@@H+]1C)CC(=O)NC[C@@H]1CC[NH+]1C ZINC000928571454 668851779 /nfs/dbraw/zinc/85/17/79/668851779.db2.gz NAFRZSBLHJOEAT-GASCZTMLSA-N 2 1 335.452 -1.438 20 30 EAEDMP C#CCN(CC(=O)NC[C@@H]1CC[NH+]1C)CC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000928571455 670112323 /nfs/dbraw/zinc/11/23/23/670112323.db2.gz NAFRZSBLHJOEAT-GJZGRUSLSA-N 2 1 335.452 -1.438 20 30 EAEDMP C#CCN(CC(=O)NC[C@H]1CC[NH+]1C)CC(=O)NC[C@H]1CC[N@@H+]1C ZINC000928571456 670112471 /nfs/dbraw/zinc/11/24/71/670112471.db2.gz NAFRZSBLHJOEAT-HUUCEWRRSA-N 2 1 335.452 -1.438 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925055 669616442 /nfs/dbraw/zinc/61/64/42/669616442.db2.gz MAPSUCQTFOCCRH-CABCVRRESA-N 2 1 348.447 -1.084 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@@H]2CCNC2=O)CC1 ZINC000946925055 669616437 /nfs/dbraw/zinc/61/64/37/669616437.db2.gz MAPSUCQTFOCCRH-CABCVRRESA-N 2 1 348.447 -1.084 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925056 669616002 /nfs/dbraw/zinc/61/60/02/669616002.db2.gz MAPSUCQTFOCCRH-GJZGRUSLSA-N 2 1 348.447 -1.084 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(O)(C[NH2+][C@H]2CCNC2=O)CC1 ZINC000946925056 669615999 /nfs/dbraw/zinc/61/59/99/669615999.db2.gz MAPSUCQTFOCCRH-GJZGRUSLSA-N 2 1 348.447 -1.084 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC000958723683 670748523 /nfs/dbraw/zinc/74/85/23/670748523.db2.gz ITSXDBZQYGJZLU-CABCVRRESA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC000958723683 670748520 /nfs/dbraw/zinc/74/85/20/670748520.db2.gz ITSXDBZQYGJZLU-CABCVRRESA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC000958723684 670748168 /nfs/dbraw/zinc/74/81/68/670748168.db2.gz ITSXDBZQYGJZLU-GJZGRUSLSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@@H]2O)CC1 ZINC000958723684 670748163 /nfs/dbraw/zinc/74/81/63/670748163.db2.gz ITSXDBZQYGJZLU-GJZGRUSLSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC000958723685 670748115 /nfs/dbraw/zinc/74/81/15/670748115.db2.gz ITSXDBZQYGJZLU-HUUCEWRRSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC000958723685 670748107 /nfs/dbraw/zinc/74/81/07/670748107.db2.gz ITSXDBZQYGJZLU-HUUCEWRRSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC000958723686 670748264 /nfs/dbraw/zinc/74/82/64/670748264.db2.gz ITSXDBZQYGJZLU-LSDHHAIUSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(=O)NC)C[C@H]2O)CC1 ZINC000958723686 670748259 /nfs/dbraw/zinc/74/82/59/670748259.db2.gz ITSXDBZQYGJZLU-LSDHHAIUSA-N 2 1 336.436 -1.514 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968956463 672432713 /nfs/dbraw/zinc/43/27/13/672432713.db2.gz MJFJWMYRWUNPJR-KGLIPLIRSA-N 2 1 347.419 -1.174 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC000968956463 672432712 /nfs/dbraw/zinc/43/27/12/672432712.db2.gz MJFJWMYRWUNPJR-KGLIPLIRSA-N 2 1 347.419 -1.174 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000993854749 669897008 /nfs/dbraw/zinc/89/70/08/669897008.db2.gz INMOHQMNGYTCKV-INIZCTEOSA-N 2 1 348.447 -1.011 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC2CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)CC1 ZINC000993854750 669897040 /nfs/dbraw/zinc/89/70/40/669897040.db2.gz INMOHQMNGYTCKV-MRXNPFEDSA-N 2 1 348.447 -1.011 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018985930 672968661 /nfs/dbraw/zinc/96/86/61/672968661.db2.gz MJFJWMYRWUNPJR-KBPBESRZSA-N 2 1 347.419 -1.174 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001018985930 672968657 /nfs/dbraw/zinc/96/86/57/672968657.db2.gz MJFJWMYRWUNPJR-KBPBESRZSA-N 2 1 347.419 -1.174 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020250362 673050161 /nfs/dbraw/zinc/05/01/61/673050161.db2.gz DLXMSFBSHGADAW-IHRRRGAJSA-N 2 1 347.419 -1.127 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001020250362 673050158 /nfs/dbraw/zinc/05/01/58/673050158.db2.gz DLXMSFBSHGADAW-IHRRRGAJSA-N 2 1 347.419 -1.127 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022221379 668351772 /nfs/dbraw/zinc/35/17/72/668351772.db2.gz DLXMSFBSHGADAW-MJBXVCDLSA-N 2 1 347.419 -1.127 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCN2C(=O)CNC2=O)C1 ZINC001022221379 668351767 /nfs/dbraw/zinc/35/17/67/668351767.db2.gz DLXMSFBSHGADAW-MJBXVCDLSA-N 2 1 347.419 -1.127 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814119 668856328 /nfs/dbraw/zinc/85/63/28/668856328.db2.gz XVCQYVMQBXUZSZ-HCZIRCDUSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814119 668856327 /nfs/dbraw/zinc/85/63/27/668856327.db2.gz XVCQYVMQBXUZSZ-HCZIRCDUSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814119 668856325 /nfs/dbraw/zinc/85/63/25/668856325.db2.gz XVCQYVMQBXUZSZ-HCZIRCDUSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814119 668856323 /nfs/dbraw/zinc/85/63/23/668856323.db2.gz XVCQYVMQBXUZSZ-HCZIRCDUSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814120 668856191 /nfs/dbraw/zinc/85/61/91/668856191.db2.gz XVCQYVMQBXUZSZ-OJKRMQCYSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814120 668856188 /nfs/dbraw/zinc/85/61/88/668856188.db2.gz XVCQYVMQBXUZSZ-OJKRMQCYSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814120 668856184 /nfs/dbraw/zinc/85/61/84/668856184.db2.gz XVCQYVMQBXUZSZ-OJKRMQCYSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H]3CCC(=O)NC3=O)C[C@H]21 ZINC001025814120 668856180 /nfs/dbraw/zinc/85/61/80/668856180.db2.gz XVCQYVMQBXUZSZ-OJKRMQCYSA-N 2 1 344.415 -1.064 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043119820 673553188 /nfs/dbraw/zinc/55/31/88/673553188.db2.gz DBGRXXFKCSWTGQ-CABCVRRESA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001043119820 673553186 /nfs/dbraw/zinc/55/31/86/673553186.db2.gz DBGRXXFKCSWTGQ-CABCVRRESA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001043119820 673553185 /nfs/dbraw/zinc/55/31/85/673553185.db2.gz DBGRXXFKCSWTGQ-CABCVRRESA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001043119820 673553184 /nfs/dbraw/zinc/55/31/84/673553184.db2.gz DBGRXXFKCSWTGQ-CABCVRRESA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043119821 673553116 /nfs/dbraw/zinc/55/31/16/673553116.db2.gz DBGRXXFKCSWTGQ-GJZGRUSLSA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001043119821 673553114 /nfs/dbraw/zinc/55/31/14/673553114.db2.gz DBGRXXFKCSWTGQ-GJZGRUSLSA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001043119821 673553113 /nfs/dbraw/zinc/55/31/13/673553113.db2.gz DBGRXXFKCSWTGQ-GJZGRUSLSA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001043119821 673553109 /nfs/dbraw/zinc/55/31/09/673553109.db2.gz DBGRXXFKCSWTGQ-GJZGRUSLSA-N 2 1 348.447 -1.275 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720302 673841096 /nfs/dbraw/zinc/84/10/96/673841096.db2.gz QQNJLTUXLUGCRS-AWEZNQCLSA-N 2 1 336.436 -1.275 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(O)(CNC(=O)CC[NH+](C)C)C1 ZINC001045720302 673841093 /nfs/dbraw/zinc/84/10/93/673841093.db2.gz QQNJLTUXLUGCRS-AWEZNQCLSA-N 2 1 336.436 -1.275 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057962491 672944582 /nfs/dbraw/zinc/94/45/82/672944582.db2.gz YGARKOKPJUKONO-HNNXBMFYSA-N 2 1 338.452 -1.027 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CCNC(=O)CC[NH+](C)C ZINC001057962491 672944581 /nfs/dbraw/zinc/94/45/81/672944581.db2.gz YGARKOKPJUKONO-HNNXBMFYSA-N 2 1 338.452 -1.027 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709020 668123736 /nfs/dbraw/zinc/12/37/36/668123736.db2.gz DUAHPECDGSPXQP-HNNXBMFYSA-N 2 1 338.452 -1.027 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCN(CCO)C(=O)CC[NH+](C)C ZINC001058709020 668123733 /nfs/dbraw/zinc/12/37/33/668123733.db2.gz DUAHPECDGSPXQP-HNNXBMFYSA-N 2 1 338.452 -1.027 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070102555 673178918 /nfs/dbraw/zinc/17/89/18/673178918.db2.gz QNQKGRKKRLQWSV-CVEARBPZSA-N 2 1 346.435 -1.043 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCO)C[C@@H]2n2ccnn2)CC1 ZINC001070102555 673178913 /nfs/dbraw/zinc/17/89/13/673178913.db2.gz QNQKGRKKRLQWSV-CVEARBPZSA-N 2 1 346.435 -1.043 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070211645 671899053 /nfs/dbraw/zinc/89/90/53/671899053.db2.gz SPPDMKBGNSTBLG-ILXRZTDVSA-N 2 1 332.408 -1.291 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)[C@@H](n2ccnn2)C1 ZINC001070211645 671899051 /nfs/dbraw/zinc/89/90/51/671899051.db2.gz SPPDMKBGNSTBLG-ILXRZTDVSA-N 2 1 332.408 -1.291 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217785 671900020 /nfs/dbraw/zinc/90/00/20/671900020.db2.gz RVLFGWAMNLGGPY-APIJFGDWSA-N 2 1 332.408 -1.028 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@@H]1n1ccnn1 ZINC001070217785 671900017 /nfs/dbraw/zinc/90/00/17/671900017.db2.gz RVLFGWAMNLGGPY-APIJFGDWSA-N 2 1 332.408 -1.028 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@@H]1n1ccnn1 ZINC001070296393 671911289 /nfs/dbraw/zinc/91/12/89/671911289.db2.gz KMGCFKNVIHEGJJ-CABCVRRESA-N 2 1 332.408 -1.025 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329878 671915404 /nfs/dbraw/zinc/91/54/04/671915404.db2.gz LADQGFZJQZKYOS-ILXRZTDVSA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329878 671915401 /nfs/dbraw/zinc/91/54/01/671915401.db2.gz LADQGFZJQZKYOS-ILXRZTDVSA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329879 671915019 /nfs/dbraw/zinc/91/50/19/671915019.db2.gz LADQGFZJQZKYOS-QLFBSQMISA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@@H]1n1ccnn1 ZINC001070329879 671915018 /nfs/dbraw/zinc/91/50/18/671915018.db2.gz LADQGFZJQZKYOS-QLFBSQMISA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001078226974 685714915 /nfs/dbraw/zinc/71/49/15/685714915.db2.gz CHCCNTYZRPOXCP-HZPDHXFCSA-N 2 1 346.435 -1.215 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@H]2O)CC1 ZINC001078226974 685714914 /nfs/dbraw/zinc/71/49/14/685714914.db2.gz CHCCNTYZRPOXCP-HZPDHXFCSA-N 2 1 346.435 -1.215 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001084089951 686333223 /nfs/dbraw/zinc/33/32/23/686333223.db2.gz CHCCNTYZRPOXCP-CVEARBPZSA-N 2 1 346.435 -1.215 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCn3cncn3)C[C@@H]2O)CC1 ZINC001084089951 686333214 /nfs/dbraw/zinc/33/32/14/686333214.db2.gz CHCCNTYZRPOXCP-CVEARBPZSA-N 2 1 346.435 -1.215 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098396201 786442137 /nfs/dbraw/zinc/44/21/37/786442137.db2.gz VWHUYLFFNIDMHN-HNNXBMFYSA-N 2 1 336.436 -1.145 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](CCO)CC(N)=O)CC1 ZINC001098396201 786442132 /nfs/dbraw/zinc/44/21/32/786442132.db2.gz VWHUYLFFNIDMHN-HNNXBMFYSA-N 2 1 336.436 -1.145 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](CCO)CC(N)=O)CC1 ZINC001098396201 786442130 /nfs/dbraw/zinc/44/21/30/786442130.db2.gz VWHUYLFFNIDMHN-HNNXBMFYSA-N 2 1 336.436 -1.145 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](CCO)CC(N)=O)CC1 ZINC001098396201 786442124 /nfs/dbraw/zinc/44/21/24/786442124.db2.gz VWHUYLFFNIDMHN-HNNXBMFYSA-N 2 1 336.436 -1.145 20 30 EAEDMP C[NH+](C)CCC(=O)N1CCC([N@@H+](CCO)CC(=O)NCC#N)CC1 ZINC001098466754 786748915 /nfs/dbraw/zinc/74/89/15/786748915.db2.gz WYPLDLODZZULJI-UHFFFAOYSA-N 2 1 339.440 -1.137 20 30 EAEDMP C#CCNC(=O)C[N@H+](CCO)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001098467502 786752979 /nfs/dbraw/zinc/75/29/79/786752979.db2.gz GZOJUZNIQLGYTI-UHFFFAOYSA-N 2 1 338.452 -1.027 20 30 EAEDMP C#CCNC(=O)CN(CCO)C1CCN(C(=O)Cn2ccnc2)CC1 ZINC001098581762 785232052 /nfs/dbraw/zinc/23/20/52/785232052.db2.gz BHDZBPHYMOSDMS-UHFFFAOYSA-N 2 1 347.419 -1.082 20 30 EAEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076169 786461145 /nfs/dbraw/zinc/46/11/45/786461145.db2.gz HQDBYLGHTDYAFX-CABCVRRESA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076169 786461142 /nfs/dbraw/zinc/46/11/42/786461142.db2.gz HQDBYLGHTDYAFX-CABCVRRESA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076170 786461452 /nfs/dbraw/zinc/46/14/52/786461452.db2.gz HQDBYLGHTDYAFX-GJZGRUSLSA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@@H](O)C1 ZINC001100076170 786461450 /nfs/dbraw/zinc/46/14/50/786461450.db2.gz HQDBYLGHTDYAFX-GJZGRUSLSA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076171 786461785 /nfs/dbraw/zinc/46/17/85/786461785.db2.gz HQDBYLGHTDYAFX-HUUCEWRRSA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@@H+]1CC[C@@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076171 786461781 /nfs/dbraw/zinc/46/17/81/786461781.db2.gz HQDBYLGHTDYAFX-HUUCEWRRSA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076172 786461311 /nfs/dbraw/zinc/46/13/11/786461311.db2.gz HQDBYLGHTDYAFX-LSDHHAIUSA-N 2 1 327.425 -1.234 20 30 EAEDMP COCC#CC[N@@H+]1CC[C@H](NC(=O)COCC[NH+](C)C)[C@H](O)C1 ZINC001100076172 786461309 /nfs/dbraw/zinc/46/13/09/786461309.db2.gz HQDBYLGHTDYAFX-LSDHHAIUSA-N 2 1 327.425 -1.234 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100415382 792434246 /nfs/dbraw/zinc/43/42/46/792434246.db2.gz NQXAPTLHYCGHHS-BPCQOVAHSA-N 2 1 335.408 -1.237 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001100415382 792434241 /nfs/dbraw/zinc/43/42/41/792434241.db2.gz NQXAPTLHYCGHHS-BPCQOVAHSA-N 2 1 335.408 -1.237 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001100438125 792435692 /nfs/dbraw/zinc/43/56/92/792435692.db2.gz QAGGXWSUNMPTBT-XSCHDIRWSA-N 2 1 336.436 -1.061 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001100438125 792435684 /nfs/dbraw/zinc/43/56/84/792435684.db2.gz QAGGXWSUNMPTBT-XSCHDIRWSA-N 2 1 336.436 -1.061 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)O1 ZINC001100438261 792436425 /nfs/dbraw/zinc/43/64/25/792436425.db2.gz XWUNLTGAYAWANQ-BLYZHGLHSA-N 2 1 337.424 -1.170 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)O1 ZINC001100438261 792436419 /nfs/dbraw/zinc/43/64/19/792436419.db2.gz XWUNLTGAYAWANQ-BLYZHGLHSA-N 2 1 337.424 -1.170 20 30 EAEDMP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758525 792455981 /nfs/dbraw/zinc/45/59/81/792455981.db2.gz BJCQVIDXCXLRGE-UHFFFAOYSA-N 2 1 337.424 -1.167 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001100758974 792456171 /nfs/dbraw/zinc/45/61/71/792456171.db2.gz XRAUAGKCMNMDKI-UHFFFAOYSA-N 2 1 336.436 -1.058 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001101006437 792473469 /nfs/dbraw/zinc/47/34/69/792473469.db2.gz JSMNBOQUTAOMEQ-JXQTWKCFSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001101006437 792473459 /nfs/dbraw/zinc/47/34/59/792473459.db2.gz JSMNBOQUTAOMEQ-JXQTWKCFSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001101006438 792473518 /nfs/dbraw/zinc/47/35/18/792473518.db2.gz JSMNBOQUTAOMEQ-RUXDESIVSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)NCC2CC([NH2+]CC(=O)NCC#N)C2)C1 ZINC001101006438 792473509 /nfs/dbraw/zinc/47/35/09/792473509.db2.gz JSMNBOQUTAOMEQ-RUXDESIVSA-N 2 1 337.424 -1.169 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC001101006553 792473427 /nfs/dbraw/zinc/47/34/27/792473427.db2.gz OWBQABYRWKPHQE-NRXISQOPSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001101006553 792473420 /nfs/dbraw/zinc/47/34/20/792473420.db2.gz OWBQABYRWKPHQE-NRXISQOPSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@@H+](CC)CCO2)C1 ZINC001101006554 792472766 /nfs/dbraw/zinc/47/27/66/792472766.db2.gz OWBQABYRWKPHQE-YMAMQOFZSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@H]2C[N@H+](CC)CCO2)C1 ZINC001101006554 792472756 /nfs/dbraw/zinc/47/27/56/792472756.db2.gz OWBQABYRWKPHQE-YMAMQOFZSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101843948 792512642 /nfs/dbraw/zinc/51/26/42/792512642.db2.gz FHFOYTVAMBRNBQ-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101843948 792512634 /nfs/dbraw/zinc/51/26/34/792512634.db2.gz FHFOYTVAMBRNBQ-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101843948 792512625 /nfs/dbraw/zinc/51/26/25/792512625.db2.gz FHFOYTVAMBRNBQ-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101843948 792512615 /nfs/dbraw/zinc/51/26/15/792512615.db2.gz FHFOYTVAMBRNBQ-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)[C@H](C)C1 ZINC001101843949 792514057 /nfs/dbraw/zinc/51/40/57/792514057.db2.gz FHFOYTVAMBRNBQ-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH+]1C[C@@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)[C@H](C)C1 ZINC001101843949 792514051 /nfs/dbraw/zinc/51/40/51/792514051.db2.gz FHFOYTVAMBRNBQ-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101843949 792514044 /nfs/dbraw/zinc/51/40/44/792514044.db2.gz FHFOYTVAMBRNBQ-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)[C@H]2C[NH+](C)CCO2)[C@H](C)C1 ZINC001101843949 792514039 /nfs/dbraw/zinc/51/40/39/792514039.db2.gz FHFOYTVAMBRNBQ-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102056287 792527374 /nfs/dbraw/zinc/52/73/74/792527374.db2.gz ZYVZCBIUFVJZPR-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102056287 792527367 /nfs/dbraw/zinc/52/73/67/792527367.db2.gz ZYVZCBIUFVJZPR-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102056287 792527359 /nfs/dbraw/zinc/52/73/59/792527359.db2.gz ZYVZCBIUFVJZPR-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1C[N@@H+](CC(=O)NC(N)=O)C[C@H]1C ZINC001102056287 792527354 /nfs/dbraw/zinc/52/73/54/792527354.db2.gz ZYVZCBIUFVJZPR-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)COCC[NH+](C)C ZINC001102510888 792546777 /nfs/dbraw/zinc/54/67/77/792546777.db2.gz ABXMQYPGRSZPRL-ZIAGYGMSSA-N 2 1 339.440 -1.112 20 30 EAEDMP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)COCC[NH+](C)C)[C@H](C)C1 ZINC001102511115 792546250 /nfs/dbraw/zinc/54/62/50/792546250.db2.gz JYTXYIDLNOXSDO-HUUCEWRRSA-N 2 1 338.452 -1.002 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974100 785916474 /nfs/dbraw/zinc/91/64/74/785916474.db2.gz OCRQACXZPFHEAU-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974100 785916464 /nfs/dbraw/zinc/91/64/64/785916464.db2.gz OCRQACXZPFHEAU-KFWWJZLASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC001105974101 785916715 /nfs/dbraw/zinc/91/67/15/785916715.db2.gz OCRQACXZPFHEAU-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC001105974101 785916714 /nfs/dbraw/zinc/91/67/14/785916714.db2.gz OCRQACXZPFHEAU-RBSFLKMASA-N 2 1 336.436 -1.250 20 30 EAEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978943 785917836 /nfs/dbraw/zinc/91/78/36/785917836.db2.gz MXQNPWOBHIESOK-MCIONIFRSA-N 2 1 337.424 -1.359 20 30 EAEDMP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978943 785917833 /nfs/dbraw/zinc/91/78/33/785917833.db2.gz MXQNPWOBHIESOK-MCIONIFRSA-N 2 1 337.424 -1.359 20 30 EAEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978944 785917820 /nfs/dbraw/zinc/91/78/20/785917820.db2.gz MXQNPWOBHIESOK-MGPQQGTHSA-N 2 1 337.424 -1.359 20 30 EAEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001105978944 785917816 /nfs/dbraw/zinc/91/78/16/785917816.db2.gz MXQNPWOBHIESOK-MGPQQGTHSA-N 2 1 337.424 -1.359 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106266639 786014315 /nfs/dbraw/zinc/01/43/15/786014315.db2.gz VOMHXABGAVJMMF-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C[NH2+]CC(=O)NC(N)=O)[C@H](C)C1 ZINC001106266639 786014311 /nfs/dbraw/zinc/01/43/11/786014311.db2.gz VOMHXABGAVJMMF-MCIONIFRSA-N 2 1 349.435 -1.037 20 30 EAEDMP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108586664 786560444 /nfs/dbraw/zinc/56/04/44/786560444.db2.gz AAWFLMZYMYPJMZ-AWEZNQCLSA-N 2 1 336.436 -1.011 20 30 EAEDMP C#CCC[NH+]1CC(N2C[C@H](NC(=O)COCC[NH+](C)C)CC2=O)C1 ZINC001108586665 786561087 /nfs/dbraw/zinc/56/10/87/786561087.db2.gz AAWFLMZYMYPJMZ-CQSZACIVSA-N 2 1 336.436 -1.011 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774680 791691108 /nfs/dbraw/zinc/69/11/08/791691108.db2.gz SEYRTJOEZMJQRM-JYAVWHMHSA-N 2 1 337.424 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C ZINC001114774680 791691102 /nfs/dbraw/zinc/69/11/02/791691102.db2.gz SEYRTJOEZMJQRM-JYAVWHMHSA-N 2 1 337.424 -1.004 20 30 EAEDMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001115037792 792604787 /nfs/dbraw/zinc/60/47/87/792604787.db2.gz AGOMXFLOJSZVFC-HALDLXJZSA-N 2 1 349.435 -1.217 20 30 EAEDMP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001115037792 792604780 /nfs/dbraw/zinc/60/47/80/792604780.db2.gz AGOMXFLOJSZVFC-HALDLXJZSA-N 2 1 349.435 -1.217 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039020 792604569 /nfs/dbraw/zinc/60/45/69/792604569.db2.gz RRAYKBPBAJCMKW-HWWDLCQESA-N 2 1 348.447 -1.107 20 30 EAEDMP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COC1CC[NH+](C)CC1 ZINC001115039020 792604563 /nfs/dbraw/zinc/60/45/63/792604563.db2.gz RRAYKBPBAJCMKW-HWWDLCQESA-N 2 1 348.447 -1.107 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125825 792617321 /nfs/dbraw/zinc/61/73/21/792617321.db2.gz CPFHAECRBSAWAI-NYTXWWLZSA-N 2 1 336.436 -1.251 20 30 EAEDMP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)COCC[NH+](C)C ZINC001115125826 792617557 /nfs/dbraw/zinc/61/75/57/792617557.db2.gz CPFHAECRBSAWAI-TTZDDIAXSA-N 2 1 336.436 -1.251 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242309 792634524 /nfs/dbraw/zinc/63/45/24/792634524.db2.gz ZIAYXUXGXWIXQI-CXTNEJHOSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[NH+](C)C1 ZINC001115242309 792634519 /nfs/dbraw/zinc/63/45/19/792634519.db2.gz ZIAYXUXGXWIXQI-CXTNEJHOSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001115242309 792634515 /nfs/dbraw/zinc/63/45/15/792634515.db2.gz ZIAYXUXGXWIXQI-CXTNEJHOSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001115242309 792634508 /nfs/dbraw/zinc/63/45/08/792634508.db2.gz ZIAYXUXGXWIXQI-CXTNEJHOSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242311 792634561 /nfs/dbraw/zinc/63/45/61/792634561.db2.gz ZIAYXUXGXWIXQI-RMRHIDDWSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[NH+](C)C1 ZINC001115242311 792634555 /nfs/dbraw/zinc/63/45/55/792634555.db2.gz ZIAYXUXGXWIXQI-RMRHIDDWSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001115242311 792634550 /nfs/dbraw/zinc/63/45/50/792634550.db2.gz ZIAYXUXGXWIXQI-RMRHIDDWSA-N 2 1 349.435 -1.004 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001115242311 792634543 /nfs/dbraw/zinc/63/45/43/792634543.db2.gz ZIAYXUXGXWIXQI-RMRHIDDWSA-N 2 1 349.435 -1.004 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001115290216 792644427 /nfs/dbraw/zinc/64/44/27/792644427.db2.gz PJRPHVNNGCJHKZ-NHAGDIPZSA-N 2 1 347.419 -1.427 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2[C@H]3C[N@@H+](CC(=O)NC(N)=O)C[C@H]32)CC1 ZINC001115290216 792644411 /nfs/dbraw/zinc/64/44/11/792644411.db2.gz PJRPHVNNGCJHKZ-NHAGDIPZSA-N 2 1 347.419 -1.427 20 30 EAEDMP C#CCN(C(=O)C(=O)NC[C@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC001119770380 792796823 /nfs/dbraw/zinc/79/68/23/792796823.db2.gz SUZIZEUJMXJPGE-INIZCTEOSA-N 2 1 349.479 -1.096 20 30 EAEDMP C#CCN(C(=O)C(=O)NC[C@@H]1C[N@H+](C)CCN1C)C1CC[NH+](C)CC1 ZINC001119770383 792797413 /nfs/dbraw/zinc/79/74/13/792797413.db2.gz SUZIZEUJMXJPGE-MRXNPFEDSA-N 2 1 349.479 -1.096 20 30 EAEDMP C[N@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001120878975 792819361 /nfs/dbraw/zinc/81/93/61/792819361.db2.gz OVYGPZVMIPVCSU-OPFKTAGGSA-N 2 1 349.435 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001120878975 792819345 /nfs/dbraw/zinc/81/93/45/792819345.db2.gz OVYGPZVMIPVCSU-OPFKTAGGSA-N 2 1 349.435 -1.026 20 30 EAEDMP C[N@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001120878976 792819054 /nfs/dbraw/zinc/81/90/54/792819054.db2.gz OVYGPZVMIPVCSU-XJIRZWNVSA-N 2 1 349.435 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@H](C(=O)NC2CC3(C2)CC([NH2+]CC(=O)NCC#N)C3)C1 ZINC001120878976 792819043 /nfs/dbraw/zinc/81/90/43/792819043.db2.gz OVYGPZVMIPVCSU-XJIRZWNVSA-N 2 1 349.435 -1.026 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203889 793026949 /nfs/dbraw/zinc/02/69/49/793026949.db2.gz UPXFGSMEVPLRDU-NEPJUHHUSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203889 793026940 /nfs/dbraw/zinc/02/69/40/793026940.db2.gz UPXFGSMEVPLRDU-NEPJUHHUSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203893 793025257 /nfs/dbraw/zinc/02/52/57/793025257.db2.gz UPXFGSMEVPLRDU-NWDGAFQWSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203893 793025240 /nfs/dbraw/zinc/02/52/40/793025240.db2.gz UPXFGSMEVPLRDU-NWDGAFQWSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125203894 793026016 /nfs/dbraw/zinc/02/60/16/793026016.db2.gz UPXFGSMEVPLRDU-RYUDHWBXSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125203894 793026007 /nfs/dbraw/zinc/02/60/07/793026007.db2.gz UPXFGSMEVPLRDU-RYUDHWBXSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125203896 793026791 /nfs/dbraw/zinc/02/67/91/793026791.db2.gz UPXFGSMEVPLRDU-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125203896 793026774 /nfs/dbraw/zinc/02/67/74/793026774.db2.gz UPXFGSMEVPLRDU-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125213069 793028355 /nfs/dbraw/zinc/02/83/55/793028355.db2.gz ARTGMMFOEZDLBE-LLVKDONJSA-N 2 1 327.385 -1.965 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125213069 793028346 /nfs/dbraw/zinc/02/83/46/793028346.db2.gz ARTGMMFOEZDLBE-LLVKDONJSA-N 2 1 327.385 -1.965 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125213072 793028238 /nfs/dbraw/zinc/02/82/38/793028238.db2.gz ARTGMMFOEZDLBE-NSHDSACASA-N 2 1 327.385 -1.965 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125213072 793028233 /nfs/dbraw/zinc/02/82/33/793028233.db2.gz ARTGMMFOEZDLBE-NSHDSACASA-N 2 1 327.385 -1.965 20 30 EAEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001125214640 793028668 /nfs/dbraw/zinc/02/86/68/793028668.db2.gz VWNILPLZMYJWKJ-CYBMUJFWSA-N 2 1 325.413 -1.215 20 30 EAEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001125214640 793028657 /nfs/dbraw/zinc/02/86/57/793028657.db2.gz VWNILPLZMYJWKJ-CYBMUJFWSA-N 2 1 325.413 -1.215 20 30 EAEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001125214641 793028279 /nfs/dbraw/zinc/02/82/79/793028279.db2.gz VWNILPLZMYJWKJ-ZDUSSCGKSA-N 2 1 325.413 -1.215 20 30 EAEDMP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001125214641 793028269 /nfs/dbraw/zinc/02/82/69/793028269.db2.gz VWNILPLZMYJWKJ-ZDUSSCGKSA-N 2 1 325.413 -1.215 20 30 EAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363468 786573674 /nfs/dbraw/zinc/57/36/74/786573674.db2.gz GOVIZXRPIIOTLW-AWEZNQCLSA-N 2 1 337.424 -1.025 20 30 EAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1CCC[N@H+]1C1CCOCC1 ZINC001129363469 786574357 /nfs/dbraw/zinc/57/43/57/786574357.db2.gz GOVIZXRPIIOTLW-CQSZACIVSA-N 2 1 337.424 -1.025 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387672 786599124 /nfs/dbraw/zinc/59/91/24/786599124.db2.gz XZYOCIKQMLHVNS-KBPBESRZSA-N 2 1 334.424 -1.343 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001129387675 786598838 /nfs/dbraw/zinc/59/88/38/786598838.db2.gz XZYOCIKQMLHVNS-KGLIPLIRSA-N 2 1 334.424 -1.343 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387677 786598562 /nfs/dbraw/zinc/59/85/62/786598562.db2.gz XZYOCIKQMLHVNS-UONOGXRCSA-N 2 1 334.424 -1.343 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001129387678 786598819 /nfs/dbraw/zinc/59/88/19/786598819.db2.gz XZYOCIKQMLHVNS-ZIAGYGMSSA-N 2 1 334.424 -1.343 20 30 EAEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717643 786864260 /nfs/dbraw/zinc/86/42/60/786864260.db2.gz NYBMEDDTBMBSII-ILXRZTDVSA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717643 786864249 /nfs/dbraw/zinc/86/42/49/786864249.db2.gz NYBMEDDTBMBSII-ILXRZTDVSA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717644 786864616 /nfs/dbraw/zinc/86/46/16/786864616.db2.gz NYBMEDDTBMBSII-QLFBSQMISA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CCC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@@H]1n1ccnn1 ZINC001129717644 786864605 /nfs/dbraw/zinc/86/46/05/786864605.db2.gz NYBMEDDTBMBSII-QLFBSQMISA-N 2 1 332.408 -1.027 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001129770129 786872632 /nfs/dbraw/zinc/87/26/32/786872632.db2.gz BRCSXNCMIBGVEX-ZDUSSCGKSA-N 2 1 330.454 -1.271 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCNS(=O)(=O)CC ZINC001129770129 786872624 /nfs/dbraw/zinc/87/26/24/786872624.db2.gz BRCSXNCMIBGVEX-ZDUSSCGKSA-N 2 1 330.454 -1.271 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129770362 786872779 /nfs/dbraw/zinc/87/27/79/786872779.db2.gz FBFJOBVNWKYJAC-AWEZNQCLSA-N 2 1 342.465 -1.175 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN1CCCS1(=O)=O ZINC001129770362 786872770 /nfs/dbraw/zinc/87/27/70/786872770.db2.gz FBFJOBVNWKYJAC-AWEZNQCLSA-N 2 1 342.465 -1.175 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129770842 786873855 /nfs/dbraw/zinc/87/38/55/786873855.db2.gz LNUBFYQHYQEOLK-ZDUSSCGKSA-N 2 1 335.408 -1.222 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NC1CC1 ZINC001129770842 786873852 /nfs/dbraw/zinc/87/38/52/786873852.db2.gz LNUBFYQHYQEOLK-ZDUSSCGKSA-N 2 1 335.408 -1.222 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001129770849 786872883 /nfs/dbraw/zinc/87/28/83/786872883.db2.gz LRDILJANMYEZAJ-CABCVRRESA-N 2 1 327.425 -1.186 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@@H](O)COCCOC ZINC001129770849 786872874 /nfs/dbraw/zinc/87/28/74/786872874.db2.gz LRDILJANMYEZAJ-CABCVRRESA-N 2 1 327.425 -1.186 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001129770854 786873482 /nfs/dbraw/zinc/87/34/82/786873482.db2.gz LRDILJANMYEZAJ-GJZGRUSLSA-N 2 1 327.425 -1.186 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)COCCOC ZINC001129770854 786873476 /nfs/dbraw/zinc/87/34/76/786873476.db2.gz LRDILJANMYEZAJ-GJZGRUSLSA-N 2 1 327.425 -1.186 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129770893 786873778 /nfs/dbraw/zinc/87/37/78/786873778.db2.gz MVEWMYPBLFJMJS-ZDUSSCGKSA-N 2 1 335.408 -2.252 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001129770893 786873767 /nfs/dbraw/zinc/87/37/67/786873767.db2.gz MVEWMYPBLFJMJS-ZDUSSCGKSA-N 2 1 335.408 -2.252 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129770924 786874288 /nfs/dbraw/zinc/87/42/88/786874288.db2.gz NVOQIDMHHZPEAF-GJZGRUSLSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]C[C@H](O)CN1CCCC1=O ZINC001129770924 786874281 /nfs/dbraw/zinc/87/42/81/786874281.db2.gz NVOQIDMHHZPEAF-GJZGRUSLSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC=C ZINC001129771326 786874178 /nfs/dbraw/zinc/87/41/78/786874178.db2.gz VVLUUJZRRKQZRU-ZDUSSCGKSA-N 2 1 335.408 -1.198 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC(=O)NCC=C ZINC001129771326 786874173 /nfs/dbraw/zinc/87/41/73/786874173.db2.gz VVLUUJZRRKQZRU-ZDUSSCGKSA-N 2 1 335.408 -1.198 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129771350 786872494 /nfs/dbraw/zinc/87/24/94/786872494.db2.gz WJPVVOILNDQOEE-ZDUSSCGKSA-N 2 1 335.408 -1.268 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCCN1C(=O)CNC1=O ZINC001129771350 786872486 /nfs/dbraw/zinc/87/24/86/786872486.db2.gz WJPVVOILNDQOEE-ZDUSSCGKSA-N 2 1 335.408 -1.268 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001129771501 786872695 /nfs/dbraw/zinc/87/26/95/786872695.db2.gz ZFOKVNOCSIEHCL-ZDUSSCGKSA-N 2 1 330.454 -1.319 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CCN(C)S(C)(=O)=O ZINC001129771501 786872686 /nfs/dbraw/zinc/87/26/86/786872686.db2.gz ZFOKVNOCSIEHCL-ZDUSSCGKSA-N 2 1 330.454 -1.319 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129790756 786870507 /nfs/dbraw/zinc/87/05/07/786870507.db2.gz HNVMLWZOMSGSPR-AWEZNQCLSA-N 2 1 347.419 -1.613 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cc(=O)n(C)c(=O)n1C ZINC001129790756 786870493 /nfs/dbraw/zinc/87/04/93/786870493.db2.gz HNVMLWZOMSGSPR-AWEZNQCLSA-N 2 1 347.419 -1.613 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129790815 786871385 /nfs/dbraw/zinc/87/13/85/786871385.db2.gz JADUGPOBVHOFMK-CABCVRRESA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@H]1CCOC1 ZINC001129790815 786871377 /nfs/dbraw/zinc/87/13/77/786871377.db2.gz JADUGPOBVHOFMK-CABCVRRESA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129790816 786871034 /nfs/dbraw/zinc/87/10/34/786871034.db2.gz JADUGPOBVHOFMK-GJZGRUSLSA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)NC[C@@H]1CCOC1 ZINC001129790816 786871022 /nfs/dbraw/zinc/87/10/22/786871022.db2.gz JADUGPOBVHOFMK-GJZGRUSLSA-N 2 1 336.436 -1.058 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001130180146 786913603 /nfs/dbraw/zinc/91/36/03/786913603.db2.gz CXTVFMZHKCLMMS-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001130180146 786913600 /nfs/dbraw/zinc/91/36/00/786913600.db2.gz CXTVFMZHKCLMMS-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521705 787058757 /nfs/dbraw/zinc/05/87/57/787058757.db2.gz CZRZLNIYKLRNNW-PEUXKQIOSA-N 2 1 334.420 -1.307 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521706 787060892 /nfs/dbraw/zinc/06/08/92/787060892.db2.gz CZRZLNIYKLRNNW-SMOJQAGNSA-N 2 1 334.420 -1.307 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521707 787060185 /nfs/dbraw/zinc/06/01/85/787060185.db2.gz CZRZLNIYKLRNNW-XCCIUEIHSA-N 2 1 334.420 -1.307 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001131521708 787060375 /nfs/dbraw/zinc/06/03/75/787060375.db2.gz CZRZLNIYKLRNNW-ZBUZPQQSSA-N 2 1 334.420 -1.307 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC001133869940 787207268 /nfs/dbraw/zinc/20/72/68/787207268.db2.gz OCTSXBVJCHQBKC-NEPJUHHUSA-N 2 1 325.413 -1.098 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC001133869941 787206226 /nfs/dbraw/zinc/20/62/26/787206226.db2.gz OCTSXBVJCHQBKC-NWDGAFQWSA-N 2 1 325.413 -1.098 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC001133869942 787205985 /nfs/dbraw/zinc/20/59/85/787205985.db2.gz OCTSXBVJCHQBKC-RYUDHWBXSA-N 2 1 325.413 -1.098 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC001133869943 787206325 /nfs/dbraw/zinc/20/63/25/787206325.db2.gz OCTSXBVJCHQBKC-VXGBXAGGSA-N 2 1 325.413 -1.098 20 30 EAEDMP N#CCNC(=O)C[NH2+]CCNC(=O)CCCC[NH+]1CCOCC1 ZINC001135322936 787288332 /nfs/dbraw/zinc/28/83/32/787288332.db2.gz HJLWEBLBPUQIFD-UHFFFAOYSA-N 2 1 325.413 -1.166 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)CC[NH+]1CCOCC1 ZINC001135350187 787290525 /nfs/dbraw/zinc/29/05/25/787290525.db2.gz PTKZORXIGZKNTA-UHFFFAOYSA-N 2 1 341.412 -1.574 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604400 787593878 /nfs/dbraw/zinc/59/38/78/787593878.db2.gz DKEUOZVQENZNEM-UHFFFAOYSA-N 2 1 336.436 -1.152 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)COCC[NH+](C)C)C2)C1 ZINC001148604400 787593873 /nfs/dbraw/zinc/59/38/73/787593873.db2.gz DKEUOZVQENZNEM-UHFFFAOYSA-N 2 1 336.436 -1.152 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001148605413 787593393 /nfs/dbraw/zinc/59/33/93/787593393.db2.gz RTUDPCQWGCFKJN-UHFFFAOYSA-N 2 1 337.424 -1.261 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001148605413 787593384 /nfs/dbraw/zinc/59/33/84/787593384.db2.gz RTUDPCQWGCFKJN-UHFFFAOYSA-N 2 1 337.424 -1.261 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@@H+](CC)CCO1 ZINC001151749168 793214581 /nfs/dbraw/zinc/21/45/81/793214581.db2.gz QEPKNOLQYGUUGA-GFCCVEGCSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1C[N@H+](CC)CCO1 ZINC001151749168 793214576 /nfs/dbraw/zinc/21/45/76/793214576.db2.gz QEPKNOLQYGUUGA-GFCCVEGCSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@@H+](CC)CCO1 ZINC001151749169 793215381 /nfs/dbraw/zinc/21/53/81/793215381.db2.gz QEPKNOLQYGUUGA-LBPRGKRZSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[N@H+](CC)CCO1 ZINC001151749169 793215373 /nfs/dbraw/zinc/21/53/73/793215373.db2.gz QEPKNOLQYGUUGA-LBPRGKRZSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001156144559 793309328 /nfs/dbraw/zinc/30/93/28/793309328.db2.gz FDHFHVCCBKACHD-GFCCVEGCSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001156144559 793309321 /nfs/dbraw/zinc/30/93/21/793309321.db2.gz FDHFHVCCBKACHD-GFCCVEGCSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001156144560 793309642 /nfs/dbraw/zinc/30/96/42/793309642.db2.gz FDHFHVCCBKACHD-LBPRGKRZSA-N 2 1 341.412 -1.575 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001156144560 793309632 /nfs/dbraw/zinc/30/96/32/793309632.db2.gz FDHFHVCCBKACHD-LBPRGKRZSA-N 2 1 341.412 -1.575 20 30 EAEDMP C[NH+](C)[C@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159876954 793391198 /nfs/dbraw/zinc/39/11/98/793391198.db2.gz LNNFHDFCBQBGHT-CYBMUJFWSA-N 2 1 335.412 -1.451 20 30 EAEDMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)NCCC[NH2+]CC(=O)NCC#N ZINC001159876962 793391447 /nfs/dbraw/zinc/39/14/47/793391447.db2.gz LNNFHDFCBQBGHT-ZDUSSCGKSA-N 2 1 335.412 -1.451 20 30 EAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H](Cn1cccn1)[NH+](C)C ZINC001159878669 793392983 /nfs/dbraw/zinc/39/29/83/793392983.db2.gz YUNWPAZULHFNET-AWEZNQCLSA-N 2 1 334.424 -1.341 20 30 EAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001159878671 793393131 /nfs/dbraw/zinc/39/31/31/793393131.db2.gz YUNWPAZULHFNET-CQSZACIVSA-N 2 1 334.424 -1.341 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001160198097 793400034 /nfs/dbraw/zinc/40/00/34/793400034.db2.gz RHLQVNFQARFIIQ-AWEZNQCLSA-N 2 1 349.435 -1.862 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CC(=O)N1CCNC(=O)C1 ZINC001160198097 793400023 /nfs/dbraw/zinc/40/00/23/793400023.db2.gz RHLQVNFQARFIIQ-AWEZNQCLSA-N 2 1 349.435 -1.862 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001160209722 793400336 /nfs/dbraw/zinc/40/03/36/793400336.db2.gz ULNADQBMCKKSSV-ZDUSSCGKSA-N 2 1 330.454 -1.271 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCNS(C)(=O)=O ZINC001160209722 793400331 /nfs/dbraw/zinc/40/03/31/793400331.db2.gz ULNADQBMCKKSSV-ZDUSSCGKSA-N 2 1 330.454 -1.271 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001160209824 793400493 /nfs/dbraw/zinc/40/04/93/793400493.db2.gz XSRDVBPYQNLDRM-ZDUSSCGKSA-N 2 1 335.408 -1.268 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]CCN1C(=O)CNC1=O ZINC001160209824 793400490 /nfs/dbraw/zinc/40/04/90/793400490.db2.gz XSRDVBPYQNLDRM-ZDUSSCGKSA-N 2 1 335.408 -1.268 20 30 EAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872069 793631421 /nfs/dbraw/zinc/63/14/21/793631421.db2.gz FYLCMXMLTBZXFC-UUCFBXCCSA-N 2 1 334.420 -1.305 20 30 EAEDMP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872070 793631508 /nfs/dbraw/zinc/63/15/08/793631508.db2.gz FYLCMXMLTBZXFC-XOYHFGRZSA-N 2 1 334.420 -1.305 20 30 EAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872314 793631764 /nfs/dbraw/zinc/63/17/64/793631764.db2.gz NODSFPFVFZYLRK-MFOWVQHXSA-N 2 1 335.408 -1.415 20 30 EAEDMP N#CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1C[N@H+]2CC3CC2(C3)CO1 ZINC001162872315 793631180 /nfs/dbraw/zinc/63/11/80/793631180.db2.gz NODSFPFVFZYLRK-UYJPIKCFSA-N 2 1 335.408 -1.415 20 30 EAEDMP C[N@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001163939858 793654244 /nfs/dbraw/zinc/65/42/44/793654244.db2.gz GCFNMEKTZXQPHH-CYBMUJFWSA-N 2 1 337.424 -1.167 20 30 EAEDMP C[N@@H+]1CCO[C@@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001163939858 793654238 /nfs/dbraw/zinc/65/42/38/793654238.db2.gz GCFNMEKTZXQPHH-CYBMUJFWSA-N 2 1 337.424 -1.167 20 30 EAEDMP C[N@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001163939859 793653900 /nfs/dbraw/zinc/65/39/00/793653900.db2.gz GCFNMEKTZXQPHH-ZDUSSCGKSA-N 2 1 337.424 -1.167 20 30 EAEDMP C[N@@H+]1CCO[C@H](C(=O)NCCC2(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001163939859 793653893 /nfs/dbraw/zinc/65/38/93/793653893.db2.gz GCFNMEKTZXQPHH-ZDUSSCGKSA-N 2 1 337.424 -1.167 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941060 793653367 /nfs/dbraw/zinc/65/33/67/793653367.db2.gz WVYQRNSEZWBGIC-AWEZNQCLSA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001163941060 793653359 /nfs/dbraw/zinc/65/33/59/793653359.db2.gz WVYQRNSEZWBGIC-AWEZNQCLSA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001163941061 793653970 /nfs/dbraw/zinc/65/39/70/793653970.db2.gz WVYQRNSEZWBGIC-CQSZACIVSA-N 2 1 336.436 -1.058 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001163941061 793653962 /nfs/dbraw/zinc/65/39/62/793653962.db2.gz WVYQRNSEZWBGIC-CQSZACIVSA-N 2 1 336.436 -1.058 20 30 EAEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164538279 793662679 /nfs/dbraw/zinc/66/26/79/793662679.db2.gz BOXXLQDLSJTYCT-CYBMUJFWSA-N 2 1 325.413 -1.169 20 30 EAEDMP CC(C)[N@H+]1CCO[C@H](C(=O)NCCC[NH2+]CC(=O)NCC#N)C1 ZINC001164538280 793662382 /nfs/dbraw/zinc/66/23/82/793662382.db2.gz BOXXLQDLSJTYCT-ZDUSSCGKSA-N 2 1 325.413 -1.169 20 30 EAEDMP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001178982239 787936779 /nfs/dbraw/zinc/93/67/79/787936779.db2.gz KZRRFCUJSQLRDL-ZOBORPQBSA-N 2 1 337.424 -1.076 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182392 787960033 /nfs/dbraw/zinc/96/00/33/787960033.db2.gz ALWCPPPGVQGXQE-IHRRRGAJSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182392 787960029 /nfs/dbraw/zinc/96/00/29/787960029.db2.gz ALWCPPPGVQGXQE-IHRRRGAJSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182393 787959646 /nfs/dbraw/zinc/95/96/46/787959646.db2.gz ALWCPPPGVQGXQE-MELADBBJSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]2C)C1 ZINC001180182393 787959642 /nfs/dbraw/zinc/95/96/42/787959642.db2.gz ALWCPPPGVQGXQE-MELADBBJSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[NH+](C)[C@@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183249240 790322465 /nfs/dbraw/zinc/32/24/65/790322465.db2.gz DZTDMXFNZIXINQ-KGLIPLIRSA-N 2 1 347.423 -1.356 20 30 EAEDMP C[NH+](C)[C@H](Cn1cccn1)C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001183249241 790324013 /nfs/dbraw/zinc/32/40/13/790324013.db2.gz DZTDMXFNZIXINQ-ZIAGYGMSSA-N 2 1 347.423 -1.356 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249575 790323053 /nfs/dbraw/zinc/32/30/53/790323053.db2.gz NLLDVGKSZBQHKO-CABCVRRESA-N 2 1 346.435 -1.247 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](Cn2cccn2)[NH+](C)C)C1 ZINC001183249576 790322869 /nfs/dbraw/zinc/32/28/69/790322869.db2.gz NLLDVGKSZBQHKO-HUUCEWRRSA-N 2 1 346.435 -1.247 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183354172 790324758 /nfs/dbraw/zinc/32/47/58/790324758.db2.gz SRRMZYIZCRVCPU-OLZOCXBDSA-N 2 1 335.408 -1.270 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001183354172 790324746 /nfs/dbraw/zinc/32/47/46/790324746.db2.gz SRRMZYIZCRVCPU-OLZOCXBDSA-N 2 1 335.408 -1.270 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183361196 790324682 /nfs/dbraw/zinc/32/46/82/790324682.db2.gz KSCUJBWISQIWBO-KGLIPLIRSA-N 2 1 342.465 -1.176 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC001183361196 790324671 /nfs/dbraw/zinc/32/46/71/790324671.db2.gz KSCUJBWISQIWBO-KGLIPLIRSA-N 2 1 342.465 -1.176 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001183361409 790325833 /nfs/dbraw/zinc/32/58/33/790325833.db2.gz TUIWNHNSCZMZFK-UPJWGTAASA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@H](C)C(=O)NC(N)=O)C1 ZINC001183361409 790325821 /nfs/dbraw/zinc/32/58/21/790325821.db2.gz TUIWNHNSCZMZFK-UPJWGTAASA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001183361410 790325169 /nfs/dbraw/zinc/32/51/69/790325169.db2.gz TUIWNHNSCZMZFK-XQQFMLRXSA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+][C@@H](C)C(=O)NC(N)=O)C1 ZINC001183361410 790325164 /nfs/dbraw/zinc/32/51/64/790325164.db2.gz TUIWNHNSCZMZFK-XQQFMLRXSA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184425228 790366753 /nfs/dbraw/zinc/36/67/53/790366753.db2.gz RYVJYNKCDLUDKK-DGSCNEQVSA-N 2 1 346.431 -1.211 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184425229 790366315 /nfs/dbraw/zinc/36/63/15/790366315.db2.gz RYVJYNKCDLUDKK-NWPKHEMWSA-N 2 1 346.431 -1.211 20 30 EAEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434515 790366144 /nfs/dbraw/zinc/36/61/44/790366144.db2.gz ZRLTWUVLDPOSIT-DLOXAQCQSA-N 2 1 347.419 -1.320 20 30 EAEDMP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001184434517 790365705 /nfs/dbraw/zinc/36/57/05/790365705.db2.gz ZRLTWUVLDPOSIT-YXXKGXSTSA-N 2 1 347.419 -1.320 20 30 EAEDMP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137344 790386573 /nfs/dbraw/zinc/38/65/73/790386573.db2.gz WMGQKHLQLCTYLO-KGLIPLIRSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137344 790386565 /nfs/dbraw/zinc/38/65/65/790386565.db2.gz WMGQKHLQLCTYLO-KGLIPLIRSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137353 790386624 /nfs/dbraw/zinc/38/66/24/790386624.db2.gz WMGQKHLQLCTYLO-ZIAGYGMSSA-N 2 1 337.424 -1.074 20 30 EAEDMP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001185137353 790386614 /nfs/dbraw/zinc/38/66/14/790386614.db2.gz WMGQKHLQLCTYLO-ZIAGYGMSSA-N 2 1 337.424 -1.074 20 30 EAEDMP C#CCNC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001188323276 790512918 /nfs/dbraw/zinc/51/29/18/790512918.db2.gz UKFRTFXKPWASQQ-QKPAOTATSA-N 2 1 348.447 -1.012 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801449 790565812 /nfs/dbraw/zinc/56/58/12/790565812.db2.gz GWDAHPDFGLFKBN-LSDHHAIUSA-N 2 1 336.436 -1.153 20 30 EAEDMP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)COCC[NH+](C)C)[C@@H]2C1 ZINC001189801449 790565802 /nfs/dbraw/zinc/56/58/02/790565802.db2.gz GWDAHPDFGLFKBN-LSDHHAIUSA-N 2 1 336.436 -1.153 20 30 EAEDMP C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619673 /nfs/dbraw/zinc/61/96/73/790619673.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 1 336.436 -1.012 20 30 EAEDMP C#CCNC(=O)CN(C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900032 790619668 /nfs/dbraw/zinc/61/96/68/790619668.db2.gz NIIJSZPHFINMGZ-QLFBSQMISA-N 2 1 336.436 -1.012 20 30 EAEDMP C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619834 /nfs/dbraw/zinc/61/98/34/790619834.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 1 336.436 -1.012 20 30 EAEDMP C#CCNC(=O)CN(C)[C@@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190900043 790619829 /nfs/dbraw/zinc/61/98/29/790619829.db2.gz NIIJSZPHFINMGZ-RBSFLKMASA-N 2 1 336.436 -1.012 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620284 /nfs/dbraw/zinc/62/02/84/790620284.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 1 337.424 -1.122 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900328 790620278 /nfs/dbraw/zinc/62/02/78/790620278.db2.gz OLYUOKYHBMHUBD-HZSPNIEDSA-N 2 1 337.424 -1.122 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620683 /nfs/dbraw/zinc/62/06/83/790620683.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 1 337.424 -1.122 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CC[C@@H](N(C)CC(=O)NCC#N)C2)O1 ZINC001190900330 790620675 /nfs/dbraw/zinc/62/06/75/790620675.db2.gz OLYUOKYHBMHUBD-MGPQQGTHSA-N 2 1 337.424 -1.122 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193463729 790851912 /nfs/dbraw/zinc/85/19/12/790851912.db2.gz XPGIXMGXERLKFX-CYBMUJFWSA-N 2 1 325.413 -1.263 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193463729 790851904 /nfs/dbraw/zinc/85/19/04/790851904.db2.gz XPGIXMGXERLKFX-CYBMUJFWSA-N 2 1 325.413 -1.263 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@@H+](C)CC(=O)NCC#N)C1 ZINC001193463731 790852231 /nfs/dbraw/zinc/85/22/31/790852231.db2.gz XPGIXMGXERLKFX-ZDUSSCGKSA-N 2 1 325.413 -1.263 20 30 EAEDMP C[NH+](C)CCOCC(=O)N1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC001193463731 790852220 /nfs/dbraw/zinc/85/22/20/790852220.db2.gz XPGIXMGXERLKFX-ZDUSSCGKSA-N 2 1 325.413 -1.263 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@H]2O)CC1 ZINC001199030214 791248072 /nfs/dbraw/zinc/24/80/72/791248072.db2.gz RCNQTWQOLQXUFA-HZPDHXFCSA-N 2 1 339.436 -1.498 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@H]2O)CC1 ZINC001199030214 791248063 /nfs/dbraw/zinc/24/80/63/791248063.db2.gz RCNQTWQOLQXUFA-HZPDHXFCSA-N 2 1 339.436 -1.498 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@H]2O)CC1 ZINC001199030635 791248192 /nfs/dbraw/zinc/24/81/92/791248192.db2.gz VPWHMDFVTDYASI-ARFHVFGLSA-N 2 1 339.436 -1.500 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@H]2O)CC1 ZINC001199030636 791248452 /nfs/dbraw/zinc/24/84/52/791248452.db2.gz VPWHMDFVTDYASI-BZUAXINKSA-N 2 1 339.436 -1.500 20 30 EAEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114031 791302432 /nfs/dbraw/zinc/30/24/32/791302432.db2.gz AIVBZOPIUZRQGS-KBPBESRZSA-N 2 1 337.424 -1.073 20 30 EAEDMP C[N@H+]1CCC[C@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114035 791302907 /nfs/dbraw/zinc/30/29/07/791302907.db2.gz AIVBZOPIUZRQGS-KGLIPLIRSA-N 2 1 337.424 -1.073 20 30 EAEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114036 791302402 /nfs/dbraw/zinc/30/24/02/791302402.db2.gz AIVBZOPIUZRQGS-UONOGXRCSA-N 2 1 337.424 -1.073 20 30 EAEDMP C[N@H+]1CCC[C@@H]1C(=O)N1CCCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001200114037 791302581 /nfs/dbraw/zinc/30/25/81/791302581.db2.gz AIVBZOPIUZRQGS-ZIAGYGMSSA-N 2 1 337.424 -1.073 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201094106 791350805 /nfs/dbraw/zinc/35/08/05/791350805.db2.gz NWBTXRJMMWWMRB-ZDUSSCGKSA-N 2 1 335.408 -1.141 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC(=O)NC(N)=O)CC1 ZINC001201094106 791350798 /nfs/dbraw/zinc/35/07/98/791350798.db2.gz NWBTXRJMMWWMRB-ZDUSSCGKSA-N 2 1 335.408 -1.141 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)O1 ZINC001201231154 791358386 /nfs/dbraw/zinc/35/83/86/791358386.db2.gz ZLXXONCVTQKFNI-TZMCWYRMSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)O1 ZINC001201231154 791358378 /nfs/dbraw/zinc/35/83/78/791358378.db2.gz ZLXXONCVTQKFNI-TZMCWYRMSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056650 791395240 /nfs/dbraw/zinc/39/52/40/791395240.db2.gz APRLSCJFQLXUQM-KBPBESRZSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056652 791394517 /nfs/dbraw/zinc/39/45/17/791394517.db2.gz APRLSCJFQLXUQM-KGLIPLIRSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@H+]1CC[C@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056653 791394669 /nfs/dbraw/zinc/39/46/69/791394669.db2.gz APRLSCJFQLXUQM-UONOGXRCSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@H+]1CC[C@@H](C(=O)N2CCCO[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001202056655 791395455 /nfs/dbraw/zinc/39/54/55/791395455.db2.gz APRLSCJFQLXUQM-ZIAGYGMSSA-N 2 1 337.424 -1.215 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056817 791394569 /nfs/dbraw/zinc/39/45/69/791394569.db2.gz BZRYHYKHVALTCZ-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056819 791395297 /nfs/dbraw/zinc/39/52/97/791395297.db2.gz BZRYHYKHVALTCZ-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056821 791394458 /nfs/dbraw/zinc/39/44/58/791394458.db2.gz BZRYHYKHVALTCZ-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CCCO1 ZINC001202056823 791395433 /nfs/dbraw/zinc/39/54/33/791395433.db2.gz BZRYHYKHVALTCZ-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP N#CCNC(=O)C[NH2+]C1CCN(C(=O)CC[NH+]2CCOCC2)CC1 ZINC001202947141 793037363 /nfs/dbraw/zinc/03/73/63/793037363.db2.gz GTMGGQYIUMUDCL-UHFFFAOYSA-N 2 1 337.424 -1.071 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203798581 793697672 /nfs/dbraw/zinc/69/76/72/793697672.db2.gz ZGBQQBOAHMSCJR-AWEZNQCLSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203798581 793697666 /nfs/dbraw/zinc/69/76/66/793697666.db2.gz ZGBQQBOAHMSCJR-AWEZNQCLSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203798582 793697512 /nfs/dbraw/zinc/69/75/12/793697512.db2.gz ZGBQQBOAHMSCJR-CQSZACIVSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001203798582 793697507 /nfs/dbraw/zinc/69/75/07/793697507.db2.gz ZGBQQBOAHMSCJR-CQSZACIVSA-N 2 1 337.424 -1.073 20 30 EAEDMP C[N@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001204875831 793703068 /nfs/dbraw/zinc/70/30/68/793703068.db2.gz GBNVGSHUCOEQEC-AWEZNQCLSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@@H+]1CCO[C@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001204875831 793703060 /nfs/dbraw/zinc/70/30/60/793703060.db2.gz GBNVGSHUCOEQEC-AWEZNQCLSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001204875832 793702801 /nfs/dbraw/zinc/70/28/01/793702801.db2.gz GBNVGSHUCOEQEC-CQSZACIVSA-N 2 1 337.424 -1.215 20 30 EAEDMP C[N@@H+]1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC(=O)NCC#N)CC2)C1 ZINC001204875832 793702795 /nfs/dbraw/zinc/70/27/95/793702795.db2.gz GBNVGSHUCOEQEC-CQSZACIVSA-N 2 1 337.424 -1.215 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876473 793703347 /nfs/dbraw/zinc/70/33/47/793703347.db2.gz XVLACHYBFZSMGB-HNNXBMFYSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001204876473 793703342 /nfs/dbraw/zinc/70/33/42/793703342.db2.gz XVLACHYBFZSMGB-HNNXBMFYSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001204876474 793702836 /nfs/dbraw/zinc/70/28/36/793702836.db2.gz XVLACHYBFZSMGB-OAHLLOKOSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001204876474 793702828 /nfs/dbraw/zinc/70/28/28/793702828.db2.gz XVLACHYBFZSMGB-OAHLLOKOSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208352678 793785184 /nfs/dbraw/zinc/78/51/84/793785184.db2.gz LJRVASQFMCYSJU-OLZOCXBDSA-N 2 1 335.408 -1.141 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208352678 793785176 /nfs/dbraw/zinc/78/51/76/793785176.db2.gz LJRVASQFMCYSJU-OLZOCXBDSA-N 2 1 335.408 -1.141 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208352679 793784518 /nfs/dbraw/zinc/78/45/18/793784518.db2.gz LJRVASQFMCYSJU-STQMWFEESA-N 2 1 335.408 -1.141 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001208352679 793784516 /nfs/dbraw/zinc/78/45/16/793784516.db2.gz LJRVASQFMCYSJU-STQMWFEESA-N 2 1 335.408 -1.141 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001208411072 793786753 /nfs/dbraw/zinc/78/67/53/793786753.db2.gz LUMSJPKUJGQOGU-HZSPNIEDSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001208411072 793786744 /nfs/dbraw/zinc/78/67/44/793786744.db2.gz LUMSJPKUJGQOGU-HZSPNIEDSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001208411073 793786832 /nfs/dbraw/zinc/78/68/32/793786832.db2.gz LUMSJPKUJGQOGU-MGPQQGTHSA-N 2 1 337.424 -1.074 20 30 EAEDMP C[C@@H]1C[N@H+](C)C[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)O1 ZINC001208411073 793786823 /nfs/dbraw/zinc/78/68/23/793786823.db2.gz LUMSJPKUJGQOGU-MGPQQGTHSA-N 2 1 337.424 -1.074 20 30 EAEDMP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210134732 793833992 /nfs/dbraw/zinc/83/39/92/793833992.db2.gz YMFZIDWPKQZHOG-AWEZNQCLSA-N 2 1 337.424 -1.071 20 30 EAEDMP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001210134735 793835859 /nfs/dbraw/zinc/83/58/59/793835859.db2.gz YMFZIDWPKQZHOG-CQSZACIVSA-N 2 1 337.424 -1.071 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176302 793868430 /nfs/dbraw/zinc/86/84/30/793868430.db2.gz IUTPXSCJMVJEMQ-KBPBESRZSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176302 793868421 /nfs/dbraw/zinc/86/84/21/793868421.db2.gz IUTPXSCJMVJEMQ-KBPBESRZSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176303 793867248 /nfs/dbraw/zinc/86/72/48/793867248.db2.gz IUTPXSCJMVJEMQ-KGLIPLIRSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176303 793867239 /nfs/dbraw/zinc/86/72/39/793867239.db2.gz IUTPXSCJMVJEMQ-KGLIPLIRSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176304 793867742 /nfs/dbraw/zinc/86/77/42/793867742.db2.gz IUTPXSCJMVJEMQ-UONOGXRCSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176304 793867733 /nfs/dbraw/zinc/86/77/33/793867733.db2.gz IUTPXSCJMVJEMQ-UONOGXRCSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176305 793868108 /nfs/dbraw/zinc/86/81/08/793868108.db2.gz IUTPXSCJMVJEMQ-ZIAGYGMSSA-N 2 1 337.424 -1.073 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001211176305 793868100 /nfs/dbraw/zinc/86/81/00/793868100.db2.gz IUTPXSCJMVJEMQ-ZIAGYGMSSA-N 2 1 337.424 -1.073 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214879002 793946112 /nfs/dbraw/zinc/94/61/12/793946112.db2.gz LQQPPBQXFOIPDY-UPJWGTAASA-N 2 1 335.408 -1.285 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(N)=O)C1 ZINC001214879002 793946107 /nfs/dbraw/zinc/94/61/07/793946107.db2.gz LQQPPBQXFOIPDY-UPJWGTAASA-N 2 1 335.408 -1.285 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214880343 793946171 /nfs/dbraw/zinc/94/61/71/793946171.db2.gz DKLSXUBYQPELII-MCIONIFRSA-N 2 1 349.435 -1.024 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001214880343 793946165 /nfs/dbraw/zinc/94/61/65/793946165.db2.gz DKLSXUBYQPELII-MCIONIFRSA-N 2 1 349.435 -1.024 20 30 EAEDMP C[C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214949851 793947670 /nfs/dbraw/zinc/94/76/70/793947670.db2.gz CSPUDEWNISSSQK-AAVRWANBSA-N 2 1 337.424 -1.218 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C[C@H]1C ZINC001214949932 793948228 /nfs/dbraw/zinc/94/82/28/793948228.db2.gz GFGBKVPWRNVKKX-KBUPBQIOSA-N 2 1 336.436 -1.109 20 30 EAEDMP C[C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215929612 793962828 /nfs/dbraw/zinc/96/28/28/793962828.db2.gz HOJTURDIJSVUFO-ZIAGYGMSSA-N 2 1 337.424 -1.215 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCOCC2)C[C@H]1C ZINC001215930321 793963437 /nfs/dbraw/zinc/96/34/37/793963437.db2.gz XUXIINSFZJEFBL-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001216800966 793975813 /nfs/dbraw/zinc/97/58/13/793975813.db2.gz GGTWAPJRSWOBJW-MCIONIFRSA-N 2 1 337.424 -1.217 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001216800966 793975808 /nfs/dbraw/zinc/97/58/08/793975808.db2.gz GGTWAPJRSWOBJW-MCIONIFRSA-N 2 1 337.424 -1.217 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001216800970 793974576 /nfs/dbraw/zinc/97/45/76/793974576.db2.gz GGTWAPJRSWOBJW-MGPQQGTHSA-N 2 1 337.424 -1.217 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C2)C1 ZINC001216800970 793974573 /nfs/dbraw/zinc/97/45/73/793974573.db2.gz GGTWAPJRSWOBJW-MGPQQGTHSA-N 2 1 337.424 -1.217 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801419 793975341 /nfs/dbraw/zinc/97/53/41/793975341.db2.gz NDNZJVCFSLHACV-KFWWJZLASA-N 2 1 336.436 -1.107 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801419 793975335 /nfs/dbraw/zinc/97/53/35/793975335.db2.gz NDNZJVCFSLHACV-KFWWJZLASA-N 2 1 336.436 -1.107 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](CC)CCO2)C[C@H]1C ZINC001216801420 793975859 /nfs/dbraw/zinc/97/58/59/793975859.db2.gz NDNZJVCFSLHACV-RBSFLKMASA-N 2 1 336.436 -1.107 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](CC)CCO2)C[C@H]1C ZINC001216801420 793975853 /nfs/dbraw/zinc/97/58/53/793975853.db2.gz NDNZJVCFSLHACV-RBSFLKMASA-N 2 1 336.436 -1.107 20 30 EAEDMP C#CC[C@]1(C(=O)NCCS(=O)(=O)N2CC[NH2+]CC2)CCC[NH2+]1 ZINC001219678639 794156224 /nfs/dbraw/zinc/15/62/24/794156224.db2.gz XURPVARDLRPQSH-CQSZACIVSA-N 2 1 328.438 -1.517 20 30 EAEDMP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3C[NH2+]CCN3C2)C1 ZINC001219765944 794179458 /nfs/dbraw/zinc/17/94/58/794179458.db2.gz IZUYKSLWOAUSLC-XQHKEYJVSA-N 2 1 346.453 -1.897 20 30 EAEDMP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2C[C@H]3CNCC[N@H+]3C2)C1 ZINC001219765944 794179456 /nfs/dbraw/zinc/17/94/56/794179456.db2.gz IZUYKSLWOAUSLC-XQHKEYJVSA-N 2 1 346.453 -1.897 20 30 EAEDMP C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)[NH3+] ZINC001220868847 794372950 /nfs/dbraw/zinc/37/29/50/794372950.db2.gz WUURCKINVCEQOO-SRVKXCTJSA-N 2 1 325.413 -1.540 20 30 EAEDMP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NCCN2CC[NH2+]CC2=O)C1 ZINC001220875138 794373807 /nfs/dbraw/zinc/37/38/07/794373807.db2.gz UNICVWRDYNLTMB-ZJUUUORDSA-N 2 1 334.398 -2.759 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001221066327 794408001 /nfs/dbraw/zinc/40/80/01/794408001.db2.gz RCNQTWQOLQXUFA-CVEARBPZSA-N 2 1 339.436 -1.498 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CCOCCO)C[C@@H]2O)CC1 ZINC001221066327 794407995 /nfs/dbraw/zinc/40/79/95/794407995.db2.gz RCNQTWQOLQXUFA-CVEARBPZSA-N 2 1 339.436 -1.498 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@@H](O)COC)C[C@@H]2O)CC1 ZINC001221066420 794409195 /nfs/dbraw/zinc/40/91/95/794409195.db2.gz VPWHMDFVTDYASI-OAGGEKHMSA-N 2 1 339.436 -1.500 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](C[C@H](O)COC)C[C@@H]2O)CC1 ZINC001221066421 794408154 /nfs/dbraw/zinc/40/81/54/794408154.db2.gz VPWHMDFVTDYASI-XHSDSOJGSA-N 2 1 339.436 -1.500 20 30 EAEDMP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001225525378 794494560 /nfs/dbraw/zinc/49/45/60/794494560.db2.gz PUABIWFJQARVKY-MCIONIFRSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001225525378 794494555 /nfs/dbraw/zinc/49/45/55/794494555.db2.gz PUABIWFJQARVKY-MCIONIFRSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001225525396 794494635 /nfs/dbraw/zinc/49/46/35/794494635.db2.gz PUABIWFJQARVKY-MGPQQGTHSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@@H](C(=O)N[C@@H]2CCCC[C@H]2[NH2+]CC(=O)NCC#N)C1 ZINC001225525396 794494630 /nfs/dbraw/zinc/49/46/30/794494630.db2.gz PUABIWFJQARVKY-MGPQQGTHSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[C@@H]1C[N@@H+](C)C[C@H](C(=O)NC2CCN(CC(=O)NCC#N)CC2)O1 ZINC001227953772 794521394 /nfs/dbraw/zinc/52/13/94/794521394.db2.gz JWUDJZREUWYJHK-TZMCWYRMSA-N 2 1 337.424 -1.074 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CC[NH+]2CCOCC2)C1 ZINC001263875561 794823678 /nfs/dbraw/zinc/82/36/78/794823678.db2.gz XRAUAGKCMNMDKI-SHTZXODSSA-N 2 1 336.436 -1.058 20 30 EAEDMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@@H+](CCO)CC(=O)NCC#N)C1 ZINC001264078099 794824415 /nfs/dbraw/zinc/82/44/15/794824415.db2.gz CAMBSRNQICNTIB-AWEZNQCLSA-N 2 1 339.440 -1.137 20 30 EAEDMP C[NH+](C)CCC(=O)N1CCC[C@H]([N@H+](CCO)CC(=O)NCC#N)C1 ZINC001264078099 794824410 /nfs/dbraw/zinc/82/44/10/794824410.db2.gz CAMBSRNQICNTIB-AWEZNQCLSA-N 2 1 339.440 -1.137 20 30 EAEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@@H+](CCO)CC(=O)NCC#N)C1 ZINC001264078106 794824485 /nfs/dbraw/zinc/82/44/85/794824485.db2.gz CAMBSRNQICNTIB-CQSZACIVSA-N 2 1 339.440 -1.137 20 30 EAEDMP C[NH+](C)CCC(=O)N1CCC[C@@H]([N@H+](CCO)CC(=O)NCC#N)C1 ZINC001264078106 794824476 /nfs/dbraw/zinc/82/44/76/794824476.db2.gz CAMBSRNQICNTIB-CQSZACIVSA-N 2 1 339.440 -1.137 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001264456647 794833713 /nfs/dbraw/zinc/83/37/13/794833713.db2.gz XNMHQBDPAROANY-RRFJBIMHSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001264456647 794833707 /nfs/dbraw/zinc/83/37/07/794833707.db2.gz XNMHQBDPAROANY-RRFJBIMHSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001264456648 794833685 /nfs/dbraw/zinc/83/36/85/794833685.db2.gz XNMHQBDPAROANY-ZNMIVQPWSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001264456648 794833680 /nfs/dbraw/zinc/83/36/80/794833680.db2.gz XNMHQBDPAROANY-ZNMIVQPWSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265604332 794868842 /nfs/dbraw/zinc/86/88/42/794868842.db2.gz ATDFFGBERYAGMJ-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265604332 794868838 /nfs/dbraw/zinc/86/88/38/794868838.db2.gz ATDFFGBERYAGMJ-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001265604333 794868414 /nfs/dbraw/zinc/86/84/14/794868414.db2.gz ATDFFGBERYAGMJ-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001265604333 794868407 /nfs/dbraw/zinc/86/84/07/794868407.db2.gz ATDFFGBERYAGMJ-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265604334 794868886 /nfs/dbraw/zinc/86/88/86/794868886.db2.gz ATDFFGBERYAGMJ-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265604334 794868882 /nfs/dbraw/zinc/86/88/82/794868882.db2.gz ATDFFGBERYAGMJ-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001265604335 794867918 /nfs/dbraw/zinc/86/79/18/794867918.db2.gz ATDFFGBERYAGMJ-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001265604335 794867910 /nfs/dbraw/zinc/86/79/10/794867910.db2.gz ATDFFGBERYAGMJ-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP C[N@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001265732298 794871042 /nfs/dbraw/zinc/87/10/42/794871042.db2.gz HZBYVNCGODDIOU-JXQTWKCFSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001265732298 794871036 /nfs/dbraw/zinc/87/10/36/794871036.db2.gz HZBYVNCGODDIOU-JXQTWKCFSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001265732299 794871131 /nfs/dbraw/zinc/87/11/31/794871131.db2.gz HZBYVNCGODDIOU-RUXDESIVSA-N 2 1 337.424 -1.026 20 30 EAEDMP C[N@@H+]1CCO[C@H](C(=O)NC2CCC([NH2+]CC(=O)NCC#N)CC2)C1 ZINC001265732299 794871126 /nfs/dbraw/zinc/87/11/26/794871126.db2.gz HZBYVNCGODDIOU-RUXDESIVSA-N 2 1 337.424 -1.026 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCCC[N@H+](C)CC(=O)NC(N)=O)CC1 ZINC001265978542 794884380 /nfs/dbraw/zinc/88/43/80/794884380.db2.gz QCXVIMRFSNJBIE-UHFFFAOYSA-N 2 1 337.424 -1.035 20 30 EAEDMP C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001266257635 785069441 /nfs/dbraw/zinc/06/94/41/785069441.db2.gz NTEVWHCMQHPKAY-INIZCTEOSA-N 2 1 349.479 -1.046 20 30 EAEDMP C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001266257635 785069433 /nfs/dbraw/zinc/06/94/33/785069433.db2.gz NTEVWHCMQHPKAY-INIZCTEOSA-N 2 1 349.479 -1.046 20 30 EAEDMP C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001266257636 785069231 /nfs/dbraw/zinc/06/92/31/785069231.db2.gz NTEVWHCMQHPKAY-MRXNPFEDSA-N 2 1 349.479 -1.046 20 30 EAEDMP C#CCNC(=O)CN1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001266257636 785069223 /nfs/dbraw/zinc/06/92/23/785069223.db2.gz NTEVWHCMQHPKAY-MRXNPFEDSA-N 2 1 349.479 -1.046 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCCC[NH+]2CCN(CC(N)=O)CC2)CC1 ZINC001266277719 785075695 /nfs/dbraw/zinc/07/56/95/785075695.db2.gz NMUGINUGSCCBIT-UHFFFAOYSA-N 2 1 349.479 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266444910 785105794 /nfs/dbraw/zinc/10/57/94/785105794.db2.gz HDOQJTLPBKXCQR-CABCVRRESA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266444910 785105789 /nfs/dbraw/zinc/10/57/89/785105789.db2.gz HDOQJTLPBKXCQR-CABCVRRESA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266444911 785104721 /nfs/dbraw/zinc/10/47/21/785104721.db2.gz HDOQJTLPBKXCQR-GJZGRUSLSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266444911 785104714 /nfs/dbraw/zinc/10/47/14/785104714.db2.gz HDOQJTLPBKXCQR-GJZGRUSLSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266444912 785105604 /nfs/dbraw/zinc/10/56/04/785105604.db2.gz HDOQJTLPBKXCQR-HUUCEWRRSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266444912 785105601 /nfs/dbraw/zinc/10/56/01/785105601.db2.gz HDOQJTLPBKXCQR-HUUCEWRRSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)C1CC1 ZINC001266444913 785104972 /nfs/dbraw/zinc/10/49/72/785104972.db2.gz HDOQJTLPBKXCQR-LSDHHAIUSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1C[N@H+](CC)CCO1)C1CC1 ZINC001266444913 785104967 /nfs/dbraw/zinc/10/49/67/785104967.db2.gz HDOQJTLPBKXCQR-LSDHHAIUSA-N 2 1 336.436 -1.059 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001266691030 785147737 /nfs/dbraw/zinc/14/77/37/785147737.db2.gz WGPBBABVDQWAOQ-XQQFMLRXSA-N 2 1 335.408 -1.224 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NC(=O)NC)C1 ZINC001266691030 785147733 /nfs/dbraw/zinc/14/77/33/785147733.db2.gz WGPBBABVDQWAOQ-XQQFMLRXSA-N 2 1 335.408 -1.224 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266929121 785169473 /nfs/dbraw/zinc/16/94/73/785169473.db2.gz BGYCBDKBXAPAPW-NEPJUHHUSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266929121 785169469 /nfs/dbraw/zinc/16/94/69/785169469.db2.gz BGYCBDKBXAPAPW-NEPJUHHUSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266929123 785169379 /nfs/dbraw/zinc/16/93/79/785169379.db2.gz BGYCBDKBXAPAPW-NWDGAFQWSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266929123 785169376 /nfs/dbraw/zinc/16/93/76/785169376.db2.gz BGYCBDKBXAPAPW-NWDGAFQWSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001266929124 785168861 /nfs/dbraw/zinc/16/88/61/785168861.db2.gz BGYCBDKBXAPAPW-RYUDHWBXSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001266929124 785168854 /nfs/dbraw/zinc/16/88/54/785168854.db2.gz BGYCBDKBXAPAPW-RYUDHWBXSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001266929126 785169773 /nfs/dbraw/zinc/16/97/73/785169773.db2.gz BGYCBDKBXAPAPW-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH2+][C@H](C)CNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001266929126 785169768 /nfs/dbraw/zinc/16/97/68/785169768.db2.gz BGYCBDKBXAPAPW-VXGBXAGGSA-N 2 1 341.412 -1.577 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045791 785184617 /nfs/dbraw/zinc/18/46/17/785184617.db2.gz TVGQVXYQGUMPII-KBPBESRZSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045791 785184612 /nfs/dbraw/zinc/18/46/12/785184612.db2.gz TVGQVXYQGUMPII-KBPBESRZSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045792 785184664 /nfs/dbraw/zinc/18/46/64/785184664.db2.gz TVGQVXYQGUMPII-KGLIPLIRSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CC(=O)NC(=O)NC)C1 ZINC001267045792 785184661 /nfs/dbraw/zinc/18/46/61/785184661.db2.gz TVGQVXYQGUMPII-KGLIPLIRSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061644 785186602 /nfs/dbraw/zinc/18/66/02/785186602.db2.gz QRVCFKMQPJGFIG-HNNXBMFYSA-N 2 1 336.436 -1.104 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCOCC2)C1 ZINC001267061645 785187034 /nfs/dbraw/zinc/18/70/34/785187034.db2.gz QRVCFKMQPJGFIG-OAHLLOKOSA-N 2 1 336.436 -1.104 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071675 785188486 /nfs/dbraw/zinc/18/84/86/785188486.db2.gz WNUSCLSYAKPIAJ-KBPBESRZSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071675 785188484 /nfs/dbraw/zinc/18/84/84/785188484.db2.gz WNUSCLSYAKPIAJ-KBPBESRZSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071676 785188389 /nfs/dbraw/zinc/18/83/89/785188389.db2.gz WNUSCLSYAKPIAJ-KGLIPLIRSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071676 785188385 /nfs/dbraw/zinc/18/83/85/785188385.db2.gz WNUSCLSYAKPIAJ-KGLIPLIRSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071678 785188259 /nfs/dbraw/zinc/18/82/59/785188259.db2.gz WNUSCLSYAKPIAJ-UONOGXRCSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071678 785188253 /nfs/dbraw/zinc/18/82/53/785188253.db2.gz WNUSCLSYAKPIAJ-UONOGXRCSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071680 785188366 /nfs/dbraw/zinc/18/83/66/785188366.db2.gz WNUSCLSYAKPIAJ-ZIAGYGMSSA-N 2 1 337.424 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001267071680 785188363 /nfs/dbraw/zinc/18/83/63/785188363.db2.gz WNUSCLSYAKPIAJ-ZIAGYGMSSA-N 2 1 337.424 -1.215 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001267230667 785209084 /nfs/dbraw/zinc/20/90/84/785209084.db2.gz XWTCZIIIQAUWSS-GFCCVEGCSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001267230667 785209079 /nfs/dbraw/zinc/20/90/79/785209079.db2.gz XWTCZIIIQAUWSS-GFCCVEGCSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267230667 785209070 /nfs/dbraw/zinc/20/90/70/785209070.db2.gz XWTCZIIIQAUWSS-GFCCVEGCSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001267230667 785209064 /nfs/dbraw/zinc/20/90/64/785209064.db2.gz XWTCZIIIQAUWSS-GFCCVEGCSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001267230668 785208575 /nfs/dbraw/zinc/20/85/75/785208575.db2.gz XWTCZIIIQAUWSS-LBPRGKRZSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[NH+](C)CCNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001267230668 785208571 /nfs/dbraw/zinc/20/85/71/785208571.db2.gz XWTCZIIIQAUWSS-LBPRGKRZSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267230668 785208558 /nfs/dbraw/zinc/20/85/58/785208558.db2.gz XWTCZIIIQAUWSS-LBPRGKRZSA-N 2 1 325.413 -1.002 20 30 EAEDMP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001267230668 785208554 /nfs/dbraw/zinc/20/85/54/785208554.db2.gz XWTCZIIIQAUWSS-LBPRGKRZSA-N 2 1 325.413 -1.002 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001267232203 785210682 /nfs/dbraw/zinc/21/06/82/785210682.db2.gz CDSJJGGJJSHDKB-GFCCVEGCSA-N 2 1 337.424 -1.037 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O)CC1 ZINC001267232203 785210675 /nfs/dbraw/zinc/21/06/75/785210675.db2.gz CDSJJGGJJSHDKB-GFCCVEGCSA-N 2 1 337.424 -1.037 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCC[N@H+](C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001267232204 785211560 /nfs/dbraw/zinc/21/15/60/785211560.db2.gz CDSJJGGJJSHDKB-LBPRGKRZSA-N 2 1 337.424 -1.037 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O)CC1 ZINC001267232204 785211555 /nfs/dbraw/zinc/21/15/55/785211555.db2.gz CDSJJGGJJSHDKB-LBPRGKRZSA-N 2 1 337.424 -1.037 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267514432 785246578 /nfs/dbraw/zinc/24/65/78/785246578.db2.gz WFRSOMJYZKDLFM-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267514432 785246574 /nfs/dbraw/zinc/24/65/74/785246574.db2.gz WFRSOMJYZKDLFM-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267514432 785246568 /nfs/dbraw/zinc/24/65/68/785246568.db2.gz WFRSOMJYZKDLFM-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267514432 785246558 /nfs/dbraw/zinc/24/65/58/785246558.db2.gz WFRSOMJYZKDLFM-CABCVRRESA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267514433 785246202 /nfs/dbraw/zinc/24/62/02/785246202.db2.gz WFRSOMJYZKDLFM-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001267514433 785246195 /nfs/dbraw/zinc/24/61/95/785246195.db2.gz WFRSOMJYZKDLFM-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001267514433 785246190 /nfs/dbraw/zinc/24/61/90/785246190.db2.gz WFRSOMJYZKDLFM-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001267514433 785246177 /nfs/dbraw/zinc/24/61/77/785246177.db2.gz WFRSOMJYZKDLFM-GJZGRUSLSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267514434 785245580 /nfs/dbraw/zinc/24/55/80/785245580.db2.gz WFRSOMJYZKDLFM-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267514434 785245576 /nfs/dbraw/zinc/24/55/76/785245576.db2.gz WFRSOMJYZKDLFM-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH+]1CC[C@@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267514434 785245569 /nfs/dbraw/zinc/24/55/69/785245569.db2.gz WFRSOMJYZKDLFM-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001267514434 785245558 /nfs/dbraw/zinc/24/55/58/785245558.db2.gz WFRSOMJYZKDLFM-HUUCEWRRSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267514435 785245651 /nfs/dbraw/zinc/24/56/51/785245651.db2.gz WFRSOMJYZKDLFM-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@H](CCNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001267514435 785245640 /nfs/dbraw/zinc/24/56/40/785245640.db2.gz WFRSOMJYZKDLFM-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[NH+]1CC[C@H](CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001267514435 785245637 /nfs/dbraw/zinc/24/56/37/785245637.db2.gz WFRSOMJYZKDLFM-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CN(C)CCO2)C1 ZINC001267514435 785245623 /nfs/dbraw/zinc/24/56/23/785245623.db2.gz WFRSOMJYZKDLFM-LSDHHAIUSA-N 2 1 336.436 -1.105 20 30 EAEDMP CC[C@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828695 785298511 /nfs/dbraw/zinc/29/85/11/785298511.db2.gz FBSCKOKEEJKOSG-CHWSQXEVSA-N 2 1 325.413 -1.169 20 30 EAEDMP CC[C@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828696 785298779 /nfs/dbraw/zinc/29/87/79/785298779.db2.gz FBSCKOKEEJKOSG-OLZOCXBDSA-N 2 1 325.413 -1.169 20 30 EAEDMP CC[C@@H](CNC(=O)[C@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828697 785297776 /nfs/dbraw/zinc/29/77/76/785297776.db2.gz FBSCKOKEEJKOSG-QWHCGFSZSA-N 2 1 325.413 -1.169 20 30 EAEDMP CC[C@@H](CNC(=O)[C@@H]1C[N@@H+](CC)CCO1)[NH2+]CC(=O)NCC#N ZINC001267828698 785298128 /nfs/dbraw/zinc/29/81/28/785298128.db2.gz FBSCKOKEEJKOSG-STQMWFEESA-N 2 1 325.413 -1.169 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309552 785405765 /nfs/dbraw/zinc/40/57/65/785405765.db2.gz VTCDVYJHSSRWNP-MNOVXSKESA-N 2 1 325.369 -2.654 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309552 785405762 /nfs/dbraw/zinc/40/57/62/785405762.db2.gz VTCDVYJHSSRWNP-MNOVXSKESA-N 2 1 325.369 -2.654 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309559 785406101 /nfs/dbraw/zinc/40/61/01/785406101.db2.gz VTCDVYJHSSRWNP-QWRGUYRKSA-N 2 1 325.369 -2.654 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(N)=O ZINC001268309559 785406095 /nfs/dbraw/zinc/40/60/95/785406095.db2.gz VTCDVYJHSSRWNP-QWRGUYRKSA-N 2 1 325.369 -2.654 20 30 EAEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325053 785415236 /nfs/dbraw/zinc/41/52/36/785415236.db2.gz RERHXIWCZPZTHD-KBPBESRZSA-N 2 1 339.440 -1.044 20 30 EAEDMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325060 785415309 /nfs/dbraw/zinc/41/53/09/785415309.db2.gz RERHXIWCZPZTHD-KGLIPLIRSA-N 2 1 339.440 -1.044 20 30 EAEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325061 785415501 /nfs/dbraw/zinc/41/55/01/785415501.db2.gz RERHXIWCZPZTHD-UONOGXRCSA-N 2 1 339.440 -1.044 20 30 EAEDMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC001268325062 785415023 /nfs/dbraw/zinc/41/50/23/785415023.db2.gz RERHXIWCZPZTHD-ZIAGYGMSSA-N 2 1 339.440 -1.044 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001268335495 785419691 /nfs/dbraw/zinc/41/96/91/785419691.db2.gz VGGVBCPXAMSVEB-GXTWGEPZSA-N 2 1 349.439 -1.317 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnnn2C)CC1 ZINC001268335496 785419336 /nfs/dbraw/zinc/41/93/36/785419336.db2.gz VGGVBCPXAMSVEB-JSGCOSHPSA-N 2 1 349.439 -1.317 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001268335497 785419604 /nfs/dbraw/zinc/41/96/04/785419604.db2.gz VGGVBCPXAMSVEB-OCCSQVGLSA-N 2 1 349.439 -1.317 20 30 EAEDMP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnnn2C)CC1 ZINC001268335498 785420219 /nfs/dbraw/zinc/42/02/19/785420219.db2.gz VGGVBCPXAMSVEB-TZMCWYRMSA-N 2 1 349.439 -1.317 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954878 785487867 /nfs/dbraw/zinc/48/78/67/785487867.db2.gz SRIUNIHDNVCKHJ-CYBMUJFWSA-N 2 1 325.413 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954878 785487861 /nfs/dbraw/zinc/48/78/61/785487861.db2.gz SRIUNIHDNVCKHJ-CYBMUJFWSA-N 2 1 325.413 -1.215 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954879 785487946 /nfs/dbraw/zinc/48/79/46/785487946.db2.gz SRIUNIHDNVCKHJ-ZDUSSCGKSA-N 2 1 325.413 -1.215 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N(C)CCC[NH2+]CC(=O)NCC#N)C1 ZINC001268954879 785487941 /nfs/dbraw/zinc/48/79/41/785487941.db2.gz SRIUNIHDNVCKHJ-ZDUSSCGKSA-N 2 1 325.413 -1.215 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001270427757 785592079 /nfs/dbraw/zinc/59/20/79/785592079.db2.gz QSXSESZFDFHSEZ-KBPBESRZSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001270427757 785592075 /nfs/dbraw/zinc/59/20/75/785592075.db2.gz QSXSESZFDFHSEZ-KBPBESRZSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001270427758 785592095 /nfs/dbraw/zinc/59/20/95/785592095.db2.gz QSXSESZFDFHSEZ-KGLIPLIRSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCN1C(=O)CNC1=O ZINC001270427758 785592089 /nfs/dbraw/zinc/59/20/89/785592089.db2.gz QSXSESZFDFHSEZ-KGLIPLIRSA-N 2 1 349.435 -1.022 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001270996649 785641555 /nfs/dbraw/zinc/64/15/55/785641555.db2.gz WCPLPLZBMKZCPF-OLZOCXBDSA-N 2 1 337.424 -1.024 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001270996649 785641552 /nfs/dbraw/zinc/64/15/52/785641552.db2.gz WCPLPLZBMKZCPF-OLZOCXBDSA-N 2 1 337.424 -1.024 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001270996650 785641795 /nfs/dbraw/zinc/64/17/95/785641795.db2.gz WCPLPLZBMKZCPF-STQMWFEESA-N 2 1 337.424 -1.024 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC(=O)NC(=O)NC ZINC001270996650 785641787 /nfs/dbraw/zinc/64/17/87/785641787.db2.gz WCPLPLZBMKZCPF-STQMWFEESA-N 2 1 337.424 -1.024 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271146947 785661476 /nfs/dbraw/zinc/66/14/76/785661476.db2.gz YWAWGNPAUUYRES-CRAIPNDOSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271146947 785661471 /nfs/dbraw/zinc/66/14/71/785661471.db2.gz YWAWGNPAUUYRES-CRAIPNDOSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271146948 785661715 /nfs/dbraw/zinc/66/17/15/785661715.db2.gz YWAWGNPAUUYRES-MAUKXSAKSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271146948 785661711 /nfs/dbraw/zinc/66/17/11/785661711.db2.gz YWAWGNPAUUYRES-MAUKXSAKSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271146950 785661684 /nfs/dbraw/zinc/66/16/84/785661684.db2.gz YWAWGNPAUUYRES-QAPCUYQASA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001271146950 785661679 /nfs/dbraw/zinc/66/16/79/785661679.db2.gz YWAWGNPAUUYRES-QAPCUYQASA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271146951 785661131 /nfs/dbraw/zinc/66/11/31/785661131.db2.gz YWAWGNPAUUYRES-YJBOKZPZSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001271146951 785661124 /nfs/dbraw/zinc/66/11/24/785661124.db2.gz YWAWGNPAUUYRES-YJBOKZPZSA-N 2 1 348.447 -1.369 20 30 EAEDMP C#CCN1CCC[C@H]1C(=O)NC[C@]1(O)CC[N@H+](C[C@H](O)COC)C1 ZINC001271159464 785665055 /nfs/dbraw/zinc/66/50/55/785665055.db2.gz JZKRITTVMFWVHL-YQQAZPJKSA-N 2 1 339.436 -1.356 20 30 EAEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@]1(O)CC[N@H+](C[C@H](O)COC)C1 ZINC001271159470 785664821 /nfs/dbraw/zinc/66/48/21/785664821.db2.gz JZKRITTVMFWVHL-ZOBUZTSGSA-N 2 1 339.436 -1.356 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271208097 785678976 /nfs/dbraw/zinc/67/89/76/785678976.db2.gz HLFROLGJHMUWFZ-DOTOQJQBSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271208097 785678972 /nfs/dbraw/zinc/67/89/72/785678972.db2.gz HLFROLGJHMUWFZ-DOTOQJQBSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271208099 785679814 /nfs/dbraw/zinc/67/98/14/785679814.db2.gz HLFROLGJHMUWFZ-NVXWUHKLSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271208099 785679805 /nfs/dbraw/zinc/67/98/05/785679805.db2.gz HLFROLGJHMUWFZ-NVXWUHKLSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271208102 785679212 /nfs/dbraw/zinc/67/92/12/785679212.db2.gz HLFROLGJHMUWFZ-RDJZCZTQSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001271208102 785679205 /nfs/dbraw/zinc/67/92/05/785679205.db2.gz HLFROLGJHMUWFZ-RDJZCZTQSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271208104 785678893 /nfs/dbraw/zinc/67/88/93/785678893.db2.gz HLFROLGJHMUWFZ-WBVHZDCISA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001271208104 785678889 /nfs/dbraw/zinc/67/88/89/785678889.db2.gz HLFROLGJHMUWFZ-WBVHZDCISA-N 2 1 338.452 -1.125 20 30 EAEDMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821555 785735564 /nfs/dbraw/zinc/73/55/64/785735564.db2.gz OHGSFYPBKJVBIZ-CHWSQXEVSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821555 785735558 /nfs/dbraw/zinc/73/55/58/785735558.db2.gz OHGSFYPBKJVBIZ-CHWSQXEVSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821556 785735444 /nfs/dbraw/zinc/73/54/44/785735444.db2.gz OHGSFYPBKJVBIZ-OLZOCXBDSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821556 785735439 /nfs/dbraw/zinc/73/54/39/785735439.db2.gz OHGSFYPBKJVBIZ-OLZOCXBDSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821557 785735200 /nfs/dbraw/zinc/73/52/00/785735200.db2.gz OHGSFYPBKJVBIZ-QWHCGFSZSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@H](CNC(=O)[C@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821557 785735196 /nfs/dbraw/zinc/73/51/96/785735196.db2.gz OHGSFYPBKJVBIZ-QWHCGFSZSA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821558 785736105 /nfs/dbraw/zinc/73/61/05/785736105.db2.gz OHGSFYPBKJVBIZ-STQMWFEESA-N 2 1 325.413 -1.313 20 30 EAEDMP CC(C)[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)[NH2+]CC(=O)NCC#N ZINC001271821558 785736102 /nfs/dbraw/zinc/73/61/02/785736102.db2.gz OHGSFYPBKJVBIZ-STQMWFEESA-N 2 1 325.413 -1.313 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272169829 785803346 /nfs/dbraw/zinc/80/33/46/785803346.db2.gz XAEKDRCNHPYUAC-RBSFLKMASA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]CCN(CCO)C(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC001272169834 785802479 /nfs/dbraw/zinc/80/24/79/785802479.db2.gz XAEKDRCNHPYUAC-RRFJBIMHSA-N 2 1 338.452 -1.125 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001272180941 785804800 /nfs/dbraw/zinc/80/48/00/785804800.db2.gz DHMDYZIFOZVCOS-CABCVRRESA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@@H]1CCCNC1=O ZINC001272180941 785804788 /nfs/dbraw/zinc/80/47/88/785804788.db2.gz DHMDYZIFOZVCOS-CABCVRRESA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001272180943 785804654 /nfs/dbraw/zinc/80/46/54/785804654.db2.gz DHMDYZIFOZVCOS-GJZGRUSLSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+][C@H]1CCCNC1=O ZINC001272180943 785804650 /nfs/dbraw/zinc/80/46/50/785804650.db2.gz DHMDYZIFOZVCOS-GJZGRUSLSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272442768 785973406 /nfs/dbraw/zinc/97/34/06/785973406.db2.gz HOUONKDVMQTECN-NEPJUHHUSA-N 2 1 339.396 -2.394 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]CC(=O)NC(=O)NC ZINC001272442769 785973258 /nfs/dbraw/zinc/97/32/58/785973258.db2.gz HOUONKDVMQTECN-RYUDHWBXSA-N 2 1 339.396 -2.394 20 30 EAEDMP C#CCN1CCC[C@H]1C(=O)NC[C@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444881 785974470 /nfs/dbraw/zinc/97/44/70/785974470.db2.gz XJLSSYBZFSOVOW-CABCVRRESA-N 2 1 334.424 -1.038 20 30 EAEDMP C#CCN1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cn(CC)nn1 ZINC001272444884 785973898 /nfs/dbraw/zinc/97/38/98/785973898.db2.gz XJLSSYBZFSOVOW-GJZGRUSLSA-N 2 1 334.424 -1.038 20 30 EAEDMP Cc1c[nH+]cn1CC(=O)N1CCO[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273292499 786428759 /nfs/dbraw/zinc/42/87/59/786428759.db2.gz WJKSDDHKYQQWNF-CYBMUJFWSA-N 2 1 334.380 -1.352 20 30 EAEDMP Cc1c[nH+]cn1CC(=O)N1CCO[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001273292500 786429343 /nfs/dbraw/zinc/42/93/43/786429343.db2.gz WJKSDDHKYQQWNF-ZDUSSCGKSA-N 2 1 334.380 -1.352 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001273358406 786439220 /nfs/dbraw/zinc/43/92/20/786439220.db2.gz DPSYZJRXJIDUOU-AWEZNQCLSA-N 2 1 333.392 -1.242 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)Cn2cc[nH+]c2C)CCO1 ZINC001273358407 786439387 /nfs/dbraw/zinc/43/93/87/786439387.db2.gz DPSYZJRXJIDUOU-CQSZACIVSA-N 2 1 333.392 -1.242 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(=O)NC ZINC001273428604 786461163 /nfs/dbraw/zinc/46/11/63/786461163.db2.gz WAEGRXDJCRKHRJ-ZDUSSCGKSA-N 2 1 337.424 -1.022 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC(=O)NC(=O)NC ZINC001273428604 786461161 /nfs/dbraw/zinc/46/11/61/786461161.db2.gz WAEGRXDJCRKHRJ-ZDUSSCGKSA-N 2 1 337.424 -1.022 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001274501032 791485173 /nfs/dbraw/zinc/48/51/73/791485173.db2.gz FWCOSSZQCMOECQ-AWEZNQCLSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001274501033 791485428 /nfs/dbraw/zinc/48/54/28/791485428.db2.gz FWCOSSZQCMOECQ-CQSZACIVSA-N 2 1 336.436 -1.227 20 30 EAEDMP C#CCNC(=O)C[NH2+]CC1(O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001274536633 791488349 /nfs/dbraw/zinc/48/83/49/791488349.db2.gz RPIIHNWNHYKZSH-UHFFFAOYSA-N 2 1 347.419 -1.116 20 30 EAEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274553916 791489186 /nfs/dbraw/zinc/48/91/86/791489186.db2.gz CWZJAVJWXXDFCU-DOTOQJQBSA-N 2 1 339.436 -1.138 20 30 EAEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274553917 791489346 /nfs/dbraw/zinc/48/93/46/791489346.db2.gz CWZJAVJWXXDFCU-NVXWUHKLSA-N 2 1 339.436 -1.138 20 30 EAEDMP C#CCOC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274553918 791489025 /nfs/dbraw/zinc/48/90/25/791489025.db2.gz CWZJAVJWXXDFCU-RDJZCZTQSA-N 2 1 339.436 -1.138 20 30 EAEDMP C#CCOC[C@H](O)C[N@@H+]1CC[C@]2(C1)CN(CC[NH+](C)C)C(=O)CO2 ZINC001274553919 791488308 /nfs/dbraw/zinc/48/83/08/791488308.db2.gz CWZJAVJWXXDFCU-WBVHZDCISA-N 2 1 339.436 -1.138 20 30 EAEDMP CC(C)[N@@H+](C)CC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001274587424 791497679 /nfs/dbraw/zinc/49/76/79/791497679.db2.gz APOIMGGANCLOTH-UHFFFAOYSA-N 2 1 339.440 -1.091 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNS(C)(=O)=O ZINC001274791125 791514465 /nfs/dbraw/zinc/51/44/65/791514465.db2.gz BJEPPUSZHCWCTB-OLZOCXBDSA-N 2 1 330.454 -1.273 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCNS(C)(=O)=O ZINC001274791125 791514455 /nfs/dbraw/zinc/51/44/55/791514455.db2.gz BJEPPUSZHCWCTB-OLZOCXBDSA-N 2 1 330.454 -1.273 20 30 EAEDMP C[N@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC(=O)NCC#N)CCOCC1 ZINC001278718938 794693054 /nfs/dbraw/zinc/69/30/54/794693054.db2.gz WKQJBPGZUSEMGY-CYBMUJFWSA-N 2 1 337.424 -1.025 20 30 EAEDMP C[N@H+]1CC[C@@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001278728139 794694976 /nfs/dbraw/zinc/69/49/76/794694976.db2.gz CJLDRYZRCWIHBI-CYBMUJFWSA-N 2 1 337.424 -1.167 20 30 EAEDMP C[N@H+]1CC[C@H](C(=O)NCC2([NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001278728140 794694531 /nfs/dbraw/zinc/69/45/31/794694531.db2.gz CJLDRYZRCWIHBI-ZDUSSCGKSA-N 2 1 337.424 -1.167 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789691 794712319 /nfs/dbraw/zinc/71/23/19/794712319.db2.gz BKJYKOCSMVXNSE-KRWDZBQOSA-N 2 1 348.447 -1.083 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789691 794712315 /nfs/dbraw/zinc/71/23/15/794712315.db2.gz BKJYKOCSMVXNSE-KRWDZBQOSA-N 2 1 348.447 -1.083 20 30 EAEDMP C#CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789692 794712260 /nfs/dbraw/zinc/71/22/60/794712260.db2.gz BKJYKOCSMVXNSE-QGZVFWFLSA-N 2 1 348.447 -1.083 20 30 EAEDMP C#CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001278789692 794712255 /nfs/dbraw/zinc/71/22/55/794712255.db2.gz BKJYKOCSMVXNSE-QGZVFWFLSA-N 2 1 348.447 -1.083 20 30 EAEDMP C=CCNC(=O)C[N@@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278816504 794718616 /nfs/dbraw/zinc/71/86/16/794718616.db2.gz RKLORVXPGBZEIJ-KRWDZBQOSA-N 2 1 336.436 -1.063 20 30 EAEDMP C=CCNC(=O)C[N@H+]1CC[C@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278816504 794718612 /nfs/dbraw/zinc/71/86/12/794718612.db2.gz RKLORVXPGBZEIJ-KRWDZBQOSA-N 2 1 336.436 -1.063 20 30 EAEDMP C=CCNC(=O)C[N@@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278816506 794718276 /nfs/dbraw/zinc/71/82/76/794718276.db2.gz RKLORVXPGBZEIJ-QGZVFWFLSA-N 2 1 336.436 -1.063 20 30 EAEDMP C=CCNC(=O)C[N@H+]1CC[C@@](O)(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001278816506 794718268 /nfs/dbraw/zinc/71/82/68/794718268.db2.gz RKLORVXPGBZEIJ-QGZVFWFLSA-N 2 1 336.436 -1.063 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278864265 794728922 /nfs/dbraw/zinc/72/89/22/794728922.db2.gz CLLRXBDZGYFZLI-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278864265 794728918 /nfs/dbraw/zinc/72/89/18/794728918.db2.gz CLLRXBDZGYFZLI-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278864265 794728914 /nfs/dbraw/zinc/72/89/14/794728914.db2.gz CLLRXBDZGYFZLI-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278864265 794728911 /nfs/dbraw/zinc/72/89/11/794728911.db2.gz CLLRXBDZGYFZLI-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@H+]1C ZINC001278864266 794728973 /nfs/dbraw/zinc/72/89/73/794728973.db2.gz CLLRXBDZGYFZLI-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001278864266 794728969 /nfs/dbraw/zinc/72/89/69/794728969.db2.gz CLLRXBDZGYFZLI-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278864266 794728965 /nfs/dbraw/zinc/72/89/65/794728965.db2.gz CLLRXBDZGYFZLI-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001278864266 794728961 /nfs/dbraw/zinc/72/89/61/794728961.db2.gz CLLRXBDZGYFZLI-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278864267 794728062 /nfs/dbraw/zinc/72/80/62/794728062.db2.gz CLLRXBDZGYFZLI-HUUCEWRRSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278864267 794728057 /nfs/dbraw/zinc/72/80/57/794728057.db2.gz CLLRXBDZGYFZLI-HUUCEWRRSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278864267 794728050 /nfs/dbraw/zinc/72/80/50/794728050.db2.gz CLLRXBDZGYFZLI-HUUCEWRRSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278864267 794728044 /nfs/dbraw/zinc/72/80/44/794728044.db2.gz CLLRXBDZGYFZLI-HUUCEWRRSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@H+]1C ZINC001278864268 794728994 /nfs/dbraw/zinc/72/89/94/794728994.db2.gz CLLRXBDZGYFZLI-LSDHHAIUSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001278864268 794728992 /nfs/dbraw/zinc/72/89/92/794728992.db2.gz CLLRXBDZGYFZLI-LSDHHAIUSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278864268 794728990 /nfs/dbraw/zinc/72/89/90/794728990.db2.gz CLLRXBDZGYFZLI-LSDHHAIUSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CCCC[NH+]1C ZINC001278864268 794728988 /nfs/dbraw/zinc/72/89/88/794728988.db2.gz CLLRXBDZGYFZLI-LSDHHAIUSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873566 794732640 /nfs/dbraw/zinc/73/26/40/794732640.db2.gz KHINXWIKTMIXOO-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873566 794732634 /nfs/dbraw/zinc/73/26/34/794732634.db2.gz KHINXWIKTMIXOO-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278873566 794732632 /nfs/dbraw/zinc/73/26/32/794732632.db2.gz KHINXWIKTMIXOO-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278873566 794732629 /nfs/dbraw/zinc/73/26/29/794732629.db2.gz KHINXWIKTMIXOO-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873567 794732745 /nfs/dbraw/zinc/73/27/45/794732745.db2.gz KHINXWIKTMIXOO-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873567 794732742 /nfs/dbraw/zinc/73/27/42/794732742.db2.gz KHINXWIKTMIXOO-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278873567 794732738 /nfs/dbraw/zinc/73/27/38/794732738.db2.gz KHINXWIKTMIXOO-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278873567 794732735 /nfs/dbraw/zinc/73/27/35/794732735.db2.gz KHINXWIKTMIXOO-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873568 794732468 /nfs/dbraw/zinc/73/24/68/794732468.db2.gz KHINXWIKTMIXOO-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001278873568 794732461 /nfs/dbraw/zinc/73/24/61/794732461.db2.gz KHINXWIKTMIXOO-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001278873568 794732454 /nfs/dbraw/zinc/73/24/54/794732454.db2.gz KHINXWIKTMIXOO-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001278873568 794732449 /nfs/dbraw/zinc/73/24/49/794732449.db2.gz KHINXWIKTMIXOO-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873569 794733081 /nfs/dbraw/zinc/73/30/81/794733081.db2.gz KHINXWIKTMIXOO-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001278873569 794733077 /nfs/dbraw/zinc/73/30/77/794733077.db2.gz KHINXWIKTMIXOO-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001278873569 794733074 /nfs/dbraw/zinc/73/30/74/794733074.db2.gz KHINXWIKTMIXOO-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC001278873569 794733070 /nfs/dbraw/zinc/73/30/70/794733070.db2.gz KHINXWIKTMIXOO-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP CN(C[C@H](O)C[N@@H+](C)CC(=O)NCC#N)C(=O)C[NH+]1CCCC1 ZINC001278882252 794734089 /nfs/dbraw/zinc/73/40/89/794734089.db2.gz CTBNHBHREYAEGI-CYBMUJFWSA-N 2 1 325.413 -1.527 20 30 EAEDMP CN(C[C@@H](O)C[N@@H+](C)CC(=O)NCC#N)C(=O)C[NH+]1CCCC1 ZINC001278882253 794734581 /nfs/dbraw/zinc/73/45/81/794734581.db2.gz CTBNHBHREYAEGI-ZDUSSCGKSA-N 2 1 325.413 -1.527 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882490 794734932 /nfs/dbraw/zinc/73/49/32/794734932.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882490 794734930 /nfs/dbraw/zinc/73/49/30/794734930.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882490 794734927 /nfs/dbraw/zinc/73/49/27/794734927.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882490 794734923 /nfs/dbraw/zinc/73/49/23/794734923.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882490 794734918 /nfs/dbraw/zinc/73/49/18/794734918.db2.gz INDRPEFBXMOBCM-KBPBESRZSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882491 794734497 /nfs/dbraw/zinc/73/44/97/794734497.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882491 794734491 /nfs/dbraw/zinc/73/44/91/794734491.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882491 794734488 /nfs/dbraw/zinc/73/44/88/794734488.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882491 794734481 /nfs/dbraw/zinc/73/44/81/794734481.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882491 794734478 /nfs/dbraw/zinc/73/44/78/794734478.db2.gz INDRPEFBXMOBCM-KGLIPLIRSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882492 794734337 /nfs/dbraw/zinc/73/43/37/794734337.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC001278882492 794734334 /nfs/dbraw/zinc/73/43/34/794734334.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882492 794734330 /nfs/dbraw/zinc/73/43/30/794734330.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[NH+](C)C1 ZINC001278882492 794734327 /nfs/dbraw/zinc/73/43/27/794734327.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001278882492 794734320 /nfs/dbraw/zinc/73/43/20/794734320.db2.gz INDRPEFBXMOBCM-UONOGXRCSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882493 794733796 /nfs/dbraw/zinc/73/37/96/794733796.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001278882493 794733791 /nfs/dbraw/zinc/73/37/91/794733791.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882493 794733785 /nfs/dbraw/zinc/73/37/85/794733785.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001278882493 794733779 /nfs/dbraw/zinc/73/37/79/794733779.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 1 326.441 -1.009 20 30 EAEDMP C=CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001278882493 794733775 /nfs/dbraw/zinc/73/37/75/794733775.db2.gz INDRPEFBXMOBCM-ZIAGYGMSSA-N 2 1 326.441 -1.009 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882552 794733865 /nfs/dbraw/zinc/73/38/65/794733865.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882552 794733861 /nfs/dbraw/zinc/73/38/61/794733861.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882552 794733860 /nfs/dbraw/zinc/73/38/60/794733860.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882552 794733858 /nfs/dbraw/zinc/73/38/58/794733858.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882552 794733856 /nfs/dbraw/zinc/73/38/56/794733856.db2.gz JMZOWOVSPUNQTJ-CABCVRRESA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882553 794734002 /nfs/dbraw/zinc/73/40/02/794734002.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882553 794733996 /nfs/dbraw/zinc/73/39/96/794733996.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882553 794733993 /nfs/dbraw/zinc/73/39/93/794733993.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882553 794733988 /nfs/dbraw/zinc/73/39/88/794733988.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)CN(C)C[C@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882553 794733984 /nfs/dbraw/zinc/73/39/84/794733984.db2.gz JMZOWOVSPUNQTJ-GJZGRUSLSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882554 794734860 /nfs/dbraw/zinc/73/48/60/794734860.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001278882554 794734857 /nfs/dbraw/zinc/73/48/57/794734857.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882554 794734853 /nfs/dbraw/zinc/73/48/53/794734853.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001278882554 794734848 /nfs/dbraw/zinc/73/48/48/794734848.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001278882554 794734843 /nfs/dbraw/zinc/73/48/43/794734843.db2.gz JMZOWOVSPUNQTJ-HUUCEWRRSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882555 794734630 /nfs/dbraw/zinc/73/46/30/794734630.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[NH+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001278882555 794734626 /nfs/dbraw/zinc/73/46/26/794734626.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882555 794734623 /nfs/dbraw/zinc/73/46/23/794734623.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)C[N@@H+](C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001278882555 794734616 /nfs/dbraw/zinc/73/46/16/794734616.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CCNC(=O)CN(C)C[C@@H](O)CN(C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001278882555 794734612 /nfs/dbraw/zinc/73/46/12/794734612.db2.gz JMZOWOVSPUNQTJ-LSDHHAIUSA-N 2 1 338.452 -1.171 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279731195 794905789 /nfs/dbraw/zinc/90/57/89/794905789.db2.gz LSOFTWZHWBNSFH-HNNXBMFYSA-N 2 1 336.436 -1.273 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]CC(=O)N1CCC1 ZINC001279731195 794905786 /nfs/dbraw/zinc/90/57/86/794905786.db2.gz LSOFTWZHWBNSFH-HNNXBMFYSA-N 2 1 336.436 -1.273 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280582700 794928732 /nfs/dbraw/zinc/92/87/32/794928732.db2.gz KBUPDXXOEYOHLD-QLFBSQMISA-N 2 1 336.436 -1.107 20 30 EAEDMP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CCO1 ZINC001280582702 794928782 /nfs/dbraw/zinc/92/87/82/794928782.db2.gz KBUPDXXOEYOHLD-RBSFLKMASA-N 2 1 336.436 -1.107 20 30 EAEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001281185348 794986618 /nfs/dbraw/zinc/98/66/18/794986618.db2.gz SEYHWILWUCPYPN-INIZCTEOSA-N 2 1 339.440 -1.089 20 30 EAEDMP CC[N@@H+](C)CCC(=O)N1CCC[C@@](CO)([NH2+]CC(=O)NCC#N)C1 ZINC001281185349 794986925 /nfs/dbraw/zinc/98/69/25/794986925.db2.gz SEYHWILWUCPYPN-MRXNPFEDSA-N 2 1 339.440 -1.089 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001281260140 794998727 /nfs/dbraw/zinc/99/87/27/794998727.db2.gz XAHCBWZPGRCCRP-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)CNC(=O)CC[NH+](C)C ZINC001281260140 794998722 /nfs/dbraw/zinc/99/87/22/794998722.db2.gz XAHCBWZPGRCCRP-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001281260141 794998307 /nfs/dbraw/zinc/99/83/07/794998307.db2.gz XAHCBWZPGRCCRP-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)CNC(=O)CC[NH+](C)C ZINC001281260141 794998302 /nfs/dbraw/zinc/99/83/02/794998302.db2.gz XAHCBWZPGRCCRP-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C[N@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001281282389 795007475 /nfs/dbraw/zinc/00/74/75/795007475.db2.gz BEEJGCYDAXMZEZ-CYBMUJFWSA-N 2 1 337.424 -1.167 20 30 EAEDMP C[N@H+]1CC[C@H](C(=O)NC2(C[NH2+]CC(=O)NCC#N)CCOCC2)C1 ZINC001281282391 795007092 /nfs/dbraw/zinc/00/70/92/795007092.db2.gz BEEJGCYDAXMZEZ-ZDUSSCGKSA-N 2 1 337.424 -1.167 20 30 EAEDMP CC[N@@H+](C)CCC(=O)N1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC001281635750 795025144 /nfs/dbraw/zinc/02/51/44/795025144.db2.gz YKUKKAYPFNNDGJ-UHFFFAOYSA-N 2 1 339.440 -1.089 20 30 EAEDMP C[N@H+]1CC[C@@H](C(=O)NC2(CO)CCN(CC(=O)NCC#N)CC2)C1 ZINC001281820500 795037215 /nfs/dbraw/zinc/03/72/15/795037215.db2.gz GVSQGECVNAMGSI-CYBMUJFWSA-N 2 1 337.424 -1.479 20 30 EAEDMP C[N@H+]1CC[C@H](C(=O)NC2(CO)CCN(CC(=O)NCC#N)CC2)C1 ZINC001281820501 795038393 /nfs/dbraw/zinc/03/83/93/795038393.db2.gz GVSQGECVNAMGSI-ZDUSSCGKSA-N 2 1 337.424 -1.479 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001282083300 795058652 /nfs/dbraw/zinc/05/86/52/795058652.db2.gz COALCEIEJAPKKP-JXQTWKCFSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001282083300 795058647 /nfs/dbraw/zinc/05/86/47/795058647.db2.gz COALCEIEJAPKKP-JXQTWKCFSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001282083301 795057768 /nfs/dbraw/zinc/05/77/68/795057768.db2.gz COALCEIEJAPKKP-RUXDESIVSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)NC2CC(C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001282083301 795057758 /nfs/dbraw/zinc/05/77/58/795057758.db2.gz COALCEIEJAPKKP-RUXDESIVSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001283101906 788424871 /nfs/dbraw/zinc/42/48/71/788424871.db2.gz COALCEIEJAPKKP-IHRRRGAJSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001283101906 788424868 /nfs/dbraw/zinc/42/48/68/788424868.db2.gz COALCEIEJAPKKP-IHRRRGAJSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001283101907 788425480 /nfs/dbraw/zinc/42/54/80/788425480.db2.gz COALCEIEJAPKKP-MGPQQGTHSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@@H+]1CCO[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CC(=O)NCC#N)C2)C1 ZINC001283101907 788425479 /nfs/dbraw/zinc/42/54/79/788425479.db2.gz COALCEIEJAPKKP-MGPQQGTHSA-N 2 1 337.424 -1.169 20 30 EAEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833009 788504272 /nfs/dbraw/zinc/50/42/72/788504272.db2.gz ZSDXZTIPVCXWKF-CHWSQXEVSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833009 788504266 /nfs/dbraw/zinc/50/42/66/788504266.db2.gz ZSDXZTIPVCXWKF-CHWSQXEVSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833010 788504561 /nfs/dbraw/zinc/50/45/61/788504561.db2.gz ZSDXZTIPVCXWKF-OLZOCXBDSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833010 788504558 /nfs/dbraw/zinc/50/45/58/788504558.db2.gz ZSDXZTIPVCXWKF-OLZOCXBDSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833011 788504024 /nfs/dbraw/zinc/50/40/24/788504024.db2.gz ZSDXZTIPVCXWKF-QWHCGFSZSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833011 788504015 /nfs/dbraw/zinc/50/40/15/788504015.db2.gz ZSDXZTIPVCXWKF-QWHCGFSZSA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833012 788504133 /nfs/dbraw/zinc/50/41/33/788504133.db2.gz ZSDXZTIPVCXWKF-STQMWFEESA-N 2 1 325.413 -1.433 20 30 EAEDMP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC001283833012 788504129 /nfs/dbraw/zinc/50/41/29/788504129.db2.gz ZSDXZTIPVCXWKF-STQMWFEESA-N 2 1 325.413 -1.433 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001284469313 788565260 /nfs/dbraw/zinc/56/52/60/788565260.db2.gz PYLWAQUTPHBRBI-GXTWGEPZSA-N 2 1 335.408 -1.262 20 30 EAEDMP C#CCNC(=O)[C@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001284469316 788565050 /nfs/dbraw/zinc/56/50/50/788565050.db2.gz PYLWAQUTPHBRBI-JSGCOSHPSA-N 2 1 335.408 -1.262 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001284469319 788564719 /nfs/dbraw/zinc/56/47/19/788564719.db2.gz PYLWAQUTPHBRBI-OCCSQVGLSA-N 2 1 335.408 -1.262 20 30 EAEDMP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CN(C)C(=O)Cn1cc[nH+]c1C ZINC001284469322 788564525 /nfs/dbraw/zinc/56/45/25/788564525.db2.gz PYLWAQUTPHBRBI-TZMCWYRMSA-N 2 1 335.408 -1.262 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001284771218 788595132 /nfs/dbraw/zinc/59/51/32/788595132.db2.gz MQOKDNZISJWNST-BPCQOVAHSA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC(=O)NC(N)=O)C1 ZINC001284771218 788595122 /nfs/dbraw/zinc/59/51/22/788595122.db2.gz MQOKDNZISJWNST-BPCQOVAHSA-N 2 1 335.408 -1.142 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001288121367 788811705 /nfs/dbraw/zinc/81/17/05/788811705.db2.gz GXCLJNDGMOPISL-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001288121367 788811694 /nfs/dbraw/zinc/81/16/94/788811694.db2.gz GXCLJNDGMOPISL-CABCVRRESA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001288121380 788812603 /nfs/dbraw/zinc/81/26/03/788812603.db2.gz GXCLJNDGMOPISL-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H](O)CN(C)C(=O)CC[NH+](C)C ZINC001288121380 788812592 /nfs/dbraw/zinc/81/25/92/788812592.db2.gz GXCLJNDGMOPISL-GJZGRUSLSA-N 2 1 338.452 -1.029 20 30 EAEDMP