smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)CC2)o1 ZINC000603910146 379279232 /nfs/dbraw/zinc/27/92/32/379279232.db2.gz KMXRTFCZRCVYRA-KBPBESRZSA-N 2 2 344.419 -0.346 20 30 EBEDLP C#CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491106126 379583643 /nfs/dbraw/zinc/58/36/43/379583643.db2.gz XGUODPBNXOPYEZ-AWEZNQCLSA-N 2 2 327.450 -0.727 20 30 EBEDLP C#CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000491106126 379583650 /nfs/dbraw/zinc/58/36/50/379583650.db2.gz XGUODPBNXOPYEZ-AWEZNQCLSA-N 2 2 327.450 -0.727 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([N@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000491384661 379597265 /nfs/dbraw/zinc/59/72/65/379597265.db2.gz PEAZKIDMMPKHMB-QGZVFWFLSA-N 2 2 348.491 -0.051 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)CC1 ZINC000491384661 379597269 /nfs/dbraw/zinc/59/72/69/379597269.db2.gz PEAZKIDMMPKHMB-QGZVFWFLSA-N 2 2 348.491 -0.051 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000491387767 379598052 /nfs/dbraw/zinc/59/80/52/379598052.db2.gz YOWDMZOAYDLUCB-UHFFFAOYSA-N 2 2 336.480 -0.194 20 30 EBEDLP C#CCN1C(=O)C[C@H]([N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000491626595 379608604 /nfs/dbraw/zinc/60/86/04/379608604.db2.gz JAXQJXZGJJUKPM-JYJNAYRXSA-N 2 2 332.448 -0.295 20 30 EBEDLP C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1=O ZINC000491626595 379608615 /nfs/dbraw/zinc/60/86/15/379608615.db2.gz JAXQJXZGJJUKPM-JYJNAYRXSA-N 2 2 332.448 -0.295 20 30 EBEDLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CC#CC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000367463401 380471923 /nfs/dbraw/zinc/47/19/23/380471923.db2.gz LQZZIXQZKRXEFV-KLHDSHLOSA-N 2 2 330.432 -0.589 20 30 EBEDLP O=C1NC[C@@H]2[C@H]1CCC[NH+]2CC#CC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000367463401 380471928 /nfs/dbraw/zinc/47/19/28/380471928.db2.gz LQZZIXQZKRXEFV-KLHDSHLOSA-N 2 2 330.432 -0.589 20 30 EBEDLP COC(=O)[C@@H]1CN(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)CCO1 ZINC000330485304 380824015 /nfs/dbraw/zinc/82/40/15/380824015.db2.gz AVFHNJJPXKOPKM-AWEZNQCLSA-N 2 2 342.440 -0.200 20 30 EBEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC000328898874 380816845 /nfs/dbraw/zinc/81/68/45/380816845.db2.gz YJNYLVYGQYSDOG-AWEZNQCLSA-N 2 2 338.456 -0.160 20 30 EBEDLP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329413543 381598596 /nfs/dbraw/zinc/59/85/96/381598596.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 2 327.473 -0.153 20 30 EBEDLP CN1CC[N@@H+](C)C[C@@H]1CNC(=O)NCC[NH+]1CCOCC1(C)C ZINC000329413543 381598602 /nfs/dbraw/zinc/59/86/02/381598602.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 2 327.473 -0.153 20 30 EBEDLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@@H+]1CCOCC1(C)C ZINC000329413543 381598607 /nfs/dbraw/zinc/59/86/07/381598607.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 2 327.473 -0.153 20 30 EBEDLP CN1CC[NH+](C)C[C@@H]1CNC(=O)NCC[N@H+]1CCOCC1(C)C ZINC000329413543 381598614 /nfs/dbraw/zinc/59/86/14/381598614.db2.gz CJOHPOYRHUCREL-AWEZNQCLSA-N 2 2 327.473 -0.153 20 30 EBEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000329314827 381592749 /nfs/dbraw/zinc/59/27/49/381592749.db2.gz AXSBMHWUZVHQRU-PMPSAXMXSA-N 2 2 341.500 -0.077 20 30 EBEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000329314827 381592755 /nfs/dbraw/zinc/59/27/55/381592755.db2.gz AXSBMHWUZVHQRU-PMPSAXMXSA-N 2 2 341.500 -0.077 20 30 EBEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000329314827 381592763 /nfs/dbraw/zinc/59/27/63/381592763.db2.gz AXSBMHWUZVHQRU-PMPSAXMXSA-N 2 2 341.500 -0.077 20 30 EBEDLP C[C@H](C[NH+]1CCN(C)CC1)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000329314827 381592771 /nfs/dbraw/zinc/59/27/71/381592771.db2.gz AXSBMHWUZVHQRU-PMPSAXMXSA-N 2 2 341.500 -0.077 20 30 EBEDLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000330195444 381712435 /nfs/dbraw/zinc/71/24/35/381712435.db2.gz BPKRVNOMFZHDRZ-HNNXBMFYSA-N 2 2 326.441 -0.113 20 30 EBEDLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000329749764 381688981 /nfs/dbraw/zinc/68/89/81/381688981.db2.gz HQSGGYHLSXQBKD-GJZGRUSLSA-N 2 2 327.473 -0.465 20 30 EBEDLP CC[C@H](O)C[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+](C)CCN2C)CC1 ZINC000329749764 381688985 /nfs/dbraw/zinc/68/89/85/381688985.db2.gz HQSGGYHLSXQBKD-GJZGRUSLSA-N 2 2 327.473 -0.465 20 30 EBEDLP N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000424147291 381787432 /nfs/dbraw/zinc/78/74/32/381787432.db2.gz RHNHNFULYCJZNG-UONOGXRCSA-N 2 2 337.424 -0.943 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736152036 582922784 /nfs/dbraw/zinc/92/27/84/582922784.db2.gz HSUGUSLPMWBBAR-CVEARBPZSA-N 2 2 348.447 -0.867 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000736152036 582922786 /nfs/dbraw/zinc/92/27/86/582922786.db2.gz HSUGUSLPMWBBAR-CVEARBPZSA-N 2 2 348.447 -0.867 20 30 EBEDLP Cn1c(CO[NH+]=C(N)c2ccc(C[NH+](C)C)cc2)cc(=O)n(C)c1=O ZINC000747838979 583116272 /nfs/dbraw/zinc/11/62/72/583116272.db2.gz VDHSUPGLXDOYTB-UHFFFAOYSA-N 2 2 345.403 -0.017 20 30 EBEDLP COC(=O)C1(C#N)CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000821781522 583804175 /nfs/dbraw/zinc/80/41/75/583804175.db2.gz SXSJHWORNBOXRW-GFCCVEGCSA-N 2 2 336.392 -0.546 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(N3CCOC3=O)CC2)CC1 ZINC000852722351 584214901 /nfs/dbraw/zinc/21/49/01/584214901.db2.gz CWWNZHABKBZUEN-UHFFFAOYSA-N 2 2 334.420 -0.320 20 30 EBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000884162607 584615837 /nfs/dbraw/zinc/61/58/37/584615837.db2.gz JMBNMJIGZZSCIH-MRXNPFEDSA-N 2 2 349.479 -0.064 20 30 EBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)N(C)C)CC2)C1 ZINC000884162607 584615839 /nfs/dbraw/zinc/61/58/39/584615839.db2.gz JMBNMJIGZZSCIH-MRXNPFEDSA-N 2 2 349.479 -0.064 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180193 584616947 /nfs/dbraw/zinc/61/69/47/584616947.db2.gz PPXJJGLQUFLXSL-KBPBESRZSA-N 2 2 327.425 -0.094 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1 ZINC000884180193 584616949 /nfs/dbraw/zinc/61/69/49/584616949.db2.gz PPXJJGLQUFLXSL-KBPBESRZSA-N 2 2 327.425 -0.094 20 30 EBEDLP C#CC[N@H+]1CCC[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000885509638 584649930 /nfs/dbraw/zinc/64/99/30/584649930.db2.gz VFUHYTHTVHGKQF-INIZCTEOSA-N 2 2 342.509 -0.359 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCCN2CC[NH+](C)CC2)C1 ZINC000885509638 584649931 /nfs/dbraw/zinc/64/99/31/584649931.db2.gz VFUHYTHTVHGKQF-INIZCTEOSA-N 2 2 342.509 -0.359 20 30 EBEDLP C[NH+]=C(NCc1nc(C)no1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261984839 649986030 /nfs/dbraw/zinc/98/60/30/649986030.db2.gz PTKXBKJHAJOYOS-UHFFFAOYSA-N 2 2 337.428 -0.451 20 30 EBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N1CCN(C2CC2)C(=O)C1 ZINC000262759801 649988377 /nfs/dbraw/zinc/98/83/77/649988377.db2.gz FOGPDRBFMLXEEJ-UHFFFAOYSA-N 2 2 333.440 -0.132 20 30 EBEDLP C#CC[NH+]1CCC(NS(=O)(=O)CCCN2CC[NH+](C)CC2)CC1 ZINC000921437285 650321203 /nfs/dbraw/zinc/32/12/03/650321203.db2.gz RUWWBRVXIMQHMA-UHFFFAOYSA-N 2 2 342.509 -0.359 20 30 EBEDLP C#CC[NH+]1CC(N2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC2)C1 ZINC000941410237 652722367 /nfs/dbraw/zinc/72/23/67/652722367.db2.gz CZBVRTVBWFMEKR-UHFFFAOYSA-N 2 2 344.463 -0.480 20 30 EBEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C(C)C)CCO3)CC2)C1 ZINC000941532484 652789420 /nfs/dbraw/zinc/78/94/20/652789420.db2.gz YEQBDACJXWJUQM-SFHVURJKSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000941532484 652789424 /nfs/dbraw/zinc/78/94/24/652789424.db2.gz YEQBDACJXWJUQM-SFHVURJKSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000940961798 653354928 /nfs/dbraw/zinc/35/49/28/653354928.db2.gz CTFXRRZWIVDMMG-MRXNPFEDSA-N 2 2 343.431 -0.055 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C2CN(C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000954501720 719750520 /nfs/dbraw/zinc/75/05/20/719750520.db2.gz MRJIXTZBYHJIRE-UHFFFAOYSA-N 2 2 343.431 -0.033 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051660318 735300349 /nfs/dbraw/zinc/30/03/49/735300349.db2.gz QRWKINOLCUHFED-CABCVRRESA-N 2 2 346.435 -0.770 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H](C[NH2+]Cc2nncn2C)C1 ZINC001051660318 735300353 /nfs/dbraw/zinc/30/03/53/735300353.db2.gz QRWKINOLCUHFED-CABCVRRESA-N 2 2 346.435 -0.770 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000994750611 726071834 /nfs/dbraw/zinc/07/18/34/726071834.db2.gz ARGBKKAMTHGUHP-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2c[nH+]cc2C)C1 ZINC000994750611 726071839 /nfs/dbraw/zinc/07/18/39/726071839.db2.gz ARGBKKAMTHGUHP-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)Cc3[nH]cc[nH+]3)C2)CC1 ZINC000998391235 726486238 /nfs/dbraw/zinc/48/62/38/726486238.db2.gz DGLMBIYCQZMZQC-UHFFFAOYSA-N 2 2 329.404 -0.376 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC000999397978 726518317 /nfs/dbraw/zinc/51/83/17/726518317.db2.gz NJNUKGZKGPARIW-KBPBESRZSA-N 2 2 331.424 -0.612 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nnnn2C)C1 ZINC000999397978 726518318 /nfs/dbraw/zinc/51/83/18/726518318.db2.gz NJNUKGZKGPARIW-KBPBESRZSA-N 2 2 331.424 -0.612 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC(NC(=O)Cc3c[nH]c[nH+]3)C2)CC1 ZINC001000571734 726571665 /nfs/dbraw/zinc/57/16/65/726571665.db2.gz AECQUIHWBDUFOG-UHFFFAOYSA-N 2 2 329.404 -0.376 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001009624937 726941086 /nfs/dbraw/zinc/94/10/86/726941086.db2.gz BVIAGCIUXJHPPK-CVEARBPZSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+]([C@H]3CCNC3=O)C2)CC1 ZINC001009624937 726941090 /nfs/dbraw/zinc/94/10/90/726941090.db2.gz BVIAGCIUXJHPPK-CVEARBPZSA-N 2 2 332.448 -0.199 20 30 EBEDLP CC#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001052099151 735545425 /nfs/dbraw/zinc/54/54/25/735545425.db2.gz VKCDQDABLBMVLM-GOSISDBHSA-N 2 2 348.491 -0.050 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022221001 729468616 /nfs/dbraw/zinc/46/86/16/729468616.db2.gz VJINYSZKQWSIPR-GUTXKFCHSA-N 2 2 343.435 -0.158 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001022221001 729468618 /nfs/dbraw/zinc/46/86/18/729468618.db2.gz VJINYSZKQWSIPR-GUTXKFCHSA-N 2 2 343.435 -0.158 20 30 EBEDLP C[NH+]1CCC(OCC(=O)N2CC[NH+]([C@@H]3CCN(CC#N)C3)CC2)CC1 ZINC001046074645 733849141 /nfs/dbraw/zinc/84/91/41/733849141.db2.gz CSAXCXGARWUKJA-MRXNPFEDSA-N 2 2 349.479 -0.161 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCC3(C[NH+](CCO)C3)O2)CC1 ZINC001053699438 735972306 /nfs/dbraw/zinc/97/23/06/735972306.db2.gz DYDMJFDVWHCOQT-MRXNPFEDSA-N 2 2 335.448 -0.327 20 30 EBEDLP C[C@@H](C#N)C(=O)NCC[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055631953 736416327 /nfs/dbraw/zinc/41/63/27/736416327.db2.gz NEUSLAIHSFXOOC-ZDUSSCGKSA-N 2 2 346.435 -0.181 20 30 EBEDLP C#CCC[N@@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070980233 741014869 /nfs/dbraw/zinc/01/48/69/741014869.db2.gz WBFXZVGUWRPQKO-UHFFFAOYSA-N 2 2 331.420 -0.135 20 30 EBEDLP C#CCC[N@H+]1CCNC(=O)CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001070980233 741014870 /nfs/dbraw/zinc/01/48/70/741014870.db2.gz WBFXZVGUWRPQKO-UHFFFAOYSA-N 2 2 331.420 -0.135 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(Cc3c[nH+]cn3C)C[C@H]2O)CC1 ZINC001078228055 743546614 /nfs/dbraw/zinc/54/66/14/743546614.db2.gz APEDNKNRHUULQH-IAGOWNOFSA-N 2 2 345.447 -0.573 20 30 EBEDLP C#CC1(O)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000820345769 803786428 /nfs/dbraw/zinc/78/64/28/803786428.db2.gz KZISZDMHNIRECJ-MRXNPFEDSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CC1(O)CC[NH+](CC(=O)NC[C@@H]2C[N@@H+](CC(C)C)CCO2)CC1 ZINC000820345769 803786433 /nfs/dbraw/zinc/78/64/33/803786433.db2.gz KZISZDMHNIRECJ-MRXNPFEDSA-N 2 2 337.464 -0.081 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800521 810847884 /nfs/dbraw/zinc/84/78/84/810847884.db2.gz PODCDDJDMDROMC-PMPSAXMXSA-N 2 2 335.452 -0.059 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cn2cccn2)[NH+](C)C)[C@@H](O)C1 ZINC001219800521 810847892 /nfs/dbraw/zinc/84/78/92/810847892.db2.gz PODCDDJDMDROMC-PMPSAXMXSA-N 2 2 335.452 -0.059 20 30 EBEDLP C=C(C)CN(CC)C(=O)C[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271673 811040812 /nfs/dbraw/zinc/04/08/12/811040812.db2.gz DDNLNJNXNCPOLC-CABCVRRESA-N 2 2 340.468 -0.476 20 30 EBEDLP C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@@H](O)C1 ZINC001220271673 811040817 /nfs/dbraw/zinc/04/08/17/811040817.db2.gz DDNLNJNXNCPOLC-CABCVRRESA-N 2 2 340.468 -0.476 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)CCCn2cc[nH+]c2C)[C@@H](O)C1 ZINC001220547676 811149755 /nfs/dbraw/zinc/14/97/55/811149755.db2.gz 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813171060 /nfs/dbraw/zinc/17/10/60/813171060.db2.gz RSIYBDSYZLREMX-BETUJISGSA-N 2 2 347.419 -0.416 20 30 EBEDLP C#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001265881070 813402286 /nfs/dbraw/zinc/40/22/86/813402286.db2.gz COKRZPPRWONJTO-AWEZNQCLSA-N 2 2 331.420 -0.162 20 30 EBEDLP CC[N@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC(=O)NCC#N ZINC001266057569 813448349 /nfs/dbraw/zinc/44/83/49/813448349.db2.gz JYQUOZHBWDJJBC-AWEZNQCLSA-N 2 2 346.435 -0.087 20 30 EBEDLP CC[N@@H+](CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1)CC(=O)NCC#N ZINC001266057569 813448355 /nfs/dbraw/zinc/44/83/55/813448355.db2.gz JYQUOZHBWDJJBC-AWEZNQCLSA-N 2 2 346.435 -0.087 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266346972 813542173 /nfs/dbraw/zinc/54/21/73/813542173.db2.gz KEIJRFRBLFHNPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)CC[NH+]2CCOCC2)C1 ZINC001266346972 813542176 /nfs/dbraw/zinc/54/21/76/813542176.db2.gz KEIJRFRBLFHNPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP Cc1cn(C(C)(C)C(=O)N[C@H]2C[C@H]([NH2+]CC(=O)NCC#N)C2)c[nH+]1 ZINC001266601735 813619682 /nfs/dbraw/zinc/61/96/82/813619682.db2.gz LLHJQLPWXPPDLX-JOCQHMNTSA-N 2 2 332.408 -0.197 20 30 EBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001267607369 813949540 /nfs/dbraw/zinc/94/95/40/813949540.db2.gz GXAPHBVHTSXUED-UHFFFAOYSA-N 2 2 347.467 -0.342 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267779720 814039759 /nfs/dbraw/zinc/03/97/59/814039759.db2.gz UOIREGLIVYYGHU-INIZCTEOSA-N 2 2 345.447 -0.496 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267779720 814039767 /nfs/dbraw/zinc/03/97/67/814039767.db2.gz UOIREGLIVYYGHU-INIZCTEOSA-N 2 2 345.447 -0.496 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+]Cc2ncc(C)o2)CC1 ZINC001268334888 814215143 /nfs/dbraw/zinc/21/51/43/814215143.db2.gz NHVOQJFFJPJFHG-HNNXBMFYSA-N 2 2 334.420 -0.105 20 30 EBEDLP 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ZINC001085987037 816202674 /nfs/dbraw/zinc/20/26/74/816202674.db2.gz RUHKNTRMKBJWOI-GDBMZVCRSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001086109797 816232332 /nfs/dbraw/zinc/23/23/32/816232332.db2.gz FINLCFHRDBIOFP-LZWOXQAQSA-N 2 2 330.436 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2cn(C)nn2)C1 ZINC001086109797 816232337 /nfs/dbraw/zinc/23/23/37/816232337.db2.gz FINLCFHRDBIOFP-LZWOXQAQSA-N 2 2 330.436 -0.103 20 30 EBEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(=O)NCC#N ZINC001272015660 816291361 /nfs/dbraw/zinc/29/13/61/816291361.db2.gz KKRGTXADSYXXSQ-RBSFLKMASA-N 2 2 333.436 -0.214 20 30 EBEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(=O)NCC#N ZINC001272015660 816291365 /nfs/dbraw/zinc/29/13/65/816291365.db2.gz KKRGTXADSYXXSQ-RBSFLKMASA-N 2 2 333.436 -0.214 20 30 EBEDLP C[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC(=O)NCC#N ZINC001272015660 816291370 /nfs/dbraw/zinc/29/13/70/816291370.db2.gz KKRGTXADSYXXSQ-RBSFLKMASA-N 2 2 333.436 -0.214 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001086390502 816316992 /nfs/dbraw/zinc/31/69/92/816316992.db2.gz XPKVIEMDDJGTBQ-KKUMJFAQSA-N 2 2 330.436 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]Cc2nncn2C)C1 ZINC001086390502 816316999 /nfs/dbraw/zinc/31/69/99/816316999.db2.gz XPKVIEMDDJGTBQ-KKUMJFAQSA-N 2 2 330.436 -0.103 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584411 816486082 /nfs/dbraw/zinc/48/60/82/816486082.db2.gz NPZGLHWUVLHIIC-IUODEOHRSA-N 2 2 348.451 -0.414 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001272615315 816492817 /nfs/dbraw/zinc/49/28/17/816492817.db2.gz BEDCXJUENNIPOM-ZDUSSCGKSA-N 2 2 332.408 -0.569 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273495704 816684769 /nfs/dbraw/zinc/68/47/69/816684769.db2.gz HXEIZRVVRWJRNG-GJZGRUSLSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC001273495704 816684772 /nfs/dbraw/zinc/68/47/72/816684772.db2.gz HXEIZRVVRWJRNG-GJZGRUSLSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001273495704 816684781 /nfs/dbraw/zinc/68/47/81/816684781.db2.gz HXEIZRVVRWJRNG-GJZGRUSLSA-N 2 2 340.468 -0.212 20 30 EBEDLP C#CCN1C[C@]2(CC1=O)COCC[N@@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001273863788 816788679 /nfs/dbraw/zinc/78/86/79/816788679.db2.gz OMSKKVFAVSWBDW-CRAIPNDOSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CCN1C[C@]2(CC1=O)COCC[N@H+](C[C@H](O)C[NH2+]C(C)(C)C)C2 ZINC001273863788 816788686 /nfs/dbraw/zinc/78/86/86/816788686.db2.gz OMSKKVFAVSWBDW-CRAIPNDOSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CCOC[C@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274554941 817002476 /nfs/dbraw/zinc/00/24/76/817002476.db2.gz PUUAWBYYYNJEJP-SJLPKXTDSA-N 2 2 346.431 -0.145 20 30 EBEDLP 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ZINC000328899960 380816497 /nfs/dbraw/zinc/81/64/97/380816497.db2.gz ZHRZJWPPOKHRGB-CVEARBPZSA-N 2 2 339.484 -0.059 20 30 EBEDLP C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000328899960 380816504 /nfs/dbraw/zinc/81/65/04/380816504.db2.gz ZHRZJWPPOKHRGB-CVEARBPZSA-N 2 2 339.484 -0.059 20 30 EBEDLP C#CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@H+](CC)CC#C)CC1 ZINC000267326656 381714354 /nfs/dbraw/zinc/71/43/54/381714354.db2.gz PRCKOFACBHTHMQ-UHFFFAOYSA-N 2 2 332.448 -0.433 20 30 EBEDLP C#CC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@@H+](CC)CC#C)CC1 ZINC000267326656 381714361 /nfs/dbraw/zinc/71/43/61/381714361.db2.gz PRCKOFACBHTHMQ-UHFFFAOYSA-N 2 2 332.448 -0.433 20 30 EBEDLP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)CCO1)N(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329876799 381697793 /nfs/dbraw/zinc/69/77/93/381697793.db2.gz IJHBLSJYJVSEGM-RDBSUJKOSA-N 2 2 342.440 -0.549 20 30 EBEDLP C[C@H](CNC(=O)[C@@H]1C[N@@H+](C)CCO1)N(C)C(=O)[C@@H]1C[NH+](C)CCO1 ZINC000329876799 381697801 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DKOGWJAAAXPNAZ-HDICACEKSA-N 2 2 340.464 -0.064 20 30 EBEDLP CO[C@]1(CO)CCC[NH+](CC#CC[N@H+]2CCC[C@](CO)(OC)C2)C1 ZINC000661390991 421065655 /nfs/dbraw/zinc/06/56/55/421065655.db2.gz DKOGWJAAAXPNAZ-HDICACEKSA-N 2 2 340.464 -0.064 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000852709282 584214528 /nfs/dbraw/zinc/21/45/28/584214528.db2.gz QQUAULQOJPTQEU-KRWDZBQOSA-N 2 2 334.464 -0.705 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000852709282 584214530 /nfs/dbraw/zinc/21/45/30/584214530.db2.gz QQUAULQOJPTQEU-KRWDZBQOSA-N 2 2 334.464 -0.705 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000884183514 584617165 /nfs/dbraw/zinc/61/71/65/584617165.db2.gz PNKSTITVFWNTKF-KBPBESRZSA-N 2 2 327.425 -0.094 20 30 EBEDLP CC[NH+]=C(NCC[NH+]1CCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261699330 649984803 /nfs/dbraw/zinc/98/48/03/649984803.db2.gz JAODTESKRITWDA-UHFFFAOYSA-N 2 2 333.440 -0.260 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC000941440719 652738847 /nfs/dbraw/zinc/73/88/47/652738847.db2.gz OIVDIWDLWXNKJM-WBVHZDCISA-N 2 2 334.464 -0.707 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)O)C2)CC1 ZINC000941440719 652738848 /nfs/dbraw/zinc/73/88/48/652738848.db2.gz OIVDIWDLWXNKJM-WBVHZDCISA-N 2 2 334.464 -0.707 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941440449 652738894 /nfs/dbraw/zinc/73/88/94/652738894.db2.gz ISEDEPMQXIZEFZ-KRWDZBQOSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCOC)C2)CC1 ZINC000941440449 652738898 /nfs/dbraw/zinc/73/88/98/652738898.db2.gz ISEDEPMQXIZEFZ-KRWDZBQOSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000939871474 653061021 /nfs/dbraw/zinc/06/10/21/653061021.db2.gz OGELKMAWYAHLRT-OWCLPIDISA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000939871474 653061023 /nfs/dbraw/zinc/06/10/23/653061023.db2.gz OGELKMAWYAHLRT-OWCLPIDISA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000939871474 653061026 /nfs/dbraw/zinc/06/10/26/653061026.db2.gz OGELKMAWYAHLRT-OWCLPIDISA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000939871474 653061028 /nfs/dbraw/zinc/06/10/28/653061028.db2.gz OGELKMAWYAHLRT-OWCLPIDISA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC(N(C)C(=O)Cc3c[nH+]c[nH]3)C2)CC1 ZINC000955443861 720176897 /nfs/dbraw/zinc/17/68/97/720176897.db2.gz MARZATAYSPVJQM-UHFFFAOYSA-N 2 2 343.431 -0.033 20 30 EBEDLP CC#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976325 726546189 /nfs/dbraw/zinc/54/61/89/726546189.db2.gz UBAZXXVDSSCSSB-HOTGVXAUSA-N 2 2 346.435 -0.505 20 30 EBEDLP CC#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999976325 726546190 /nfs/dbraw/zinc/54/61/90/726546190.db2.gz UBAZXXVDSSCSSB-HOTGVXAUSA-N 2 2 346.435 -0.505 20 30 EBEDLP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999976325 726546191 /nfs/dbraw/zinc/54/61/91/726546191.db2.gz UBAZXXVDSSCSSB-HOTGVXAUSA-N 2 2 346.435 -0.505 20 30 EBEDLP CC#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999976325 726546192 /nfs/dbraw/zinc/54/61/92/726546192.db2.gz UBAZXXVDSSCSSB-HOTGVXAUSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](CC)CCO3)nn2)C1 ZINC001000044026 726553031 /nfs/dbraw/zinc/55/30/31/726553031.db2.gz LSOLEJRMMWTTOW-HZPDHXFCSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](CC)CCO3)nn2)C1 ZINC001000044026 726553032 /nfs/dbraw/zinc/55/30/32/726553032.db2.gz LSOLEJRMMWTTOW-HZPDHXFCSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000044026 726553033 /nfs/dbraw/zinc/55/30/33/726553033.db2.gz LSOLEJRMMWTTOW-HZPDHXFCSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](CC)CCO3)nn2)C1 ZINC001000044026 726553034 /nfs/dbraw/zinc/55/30/34/726553034.db2.gz LSOLEJRMMWTTOW-HZPDHXFCSA-N 2 2 346.435 -0.505 20 30 EBEDLP CC(C)[N@@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052071346 735532617 /nfs/dbraw/zinc/53/26/17/735532617.db2.gz SMLATILTINMJBE-IRXDYDNUSA-N 2 2 349.479 -0.162 20 30 EBEDLP CC(C)[N@H+]1CCO[C@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052071346 735532619 /nfs/dbraw/zinc/53/26/19/735532619.db2.gz SMLATILTINMJBE-IRXDYDNUSA-N 2 2 349.479 -0.162 20 30 EBEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001052098932 735545430 /nfs/dbraw/zinc/54/54/30/735545430.db2.gz RCYRKAYRCHXMFR-SFHVURJKSA-N 2 2 348.491 -0.050 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]Cc3nc(=O)n(C)[nH]3)C2)CC1 ZINC001019813774 728998380 /nfs/dbraw/zinc/99/83/80/728998380.db2.gz MPTSPCWVXSCXJO-AWEZNQCLSA-N 2 2 346.435 -0.856 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)NC)CC1 ZINC001029597053 730412534 /nfs/dbraw/zinc/41/25/34/730412534.db2.gz IIIGSOMMSRXLTQ-IYBDPMFKSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)NC)CC1 ZINC001029597053 730412535 /nfs/dbraw/zinc/41/25/35/730412535.db2.gz IIIGSOMMSRXLTQ-IYBDPMFKSA-N 2 2 332.448 -0.247 20 30 EBEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013971 733803224 /nfs/dbraw/zinc/80/32/24/733803224.db2.gz NSOVVMLUCPTUCI-SJORKVTESA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013971 733803225 /nfs/dbraw/zinc/80/32/25/733803225.db2.gz NSOVVMLUCPTUCI-SJORKVTESA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013971 733803229 /nfs/dbraw/zinc/80/32/29/733803229.db2.gz NSOVVMLUCPTUCI-SJORKVTESA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013971 733803233 /nfs/dbraw/zinc/80/32/33/733803233.db2.gz NSOVVMLUCPTUCI-SJORKVTESA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2COC3(C[NH+](C[C@@H](C)O)C3)C2)CC1 ZINC001054015595 736152785 /nfs/dbraw/zinc/15/27/85/736152785.db2.gz LTUJBUJZNGTCAL-GDBMZVCRSA-N 2 2 335.448 -0.328 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001054296160 736187514 /nfs/dbraw/zinc/18/75/14/736187514.db2.gz DJXYZCLIPUEIND-KFWWJZLASA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001054296160 736187516 /nfs/dbraw/zinc/18/75/16/736187516.db2.gz DJXYZCLIPUEIND-KFWWJZLASA-N 2 2 345.451 -0.051 20 30 EBEDLP C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001065712533 739856329 /nfs/dbraw/zinc/85/63/29/739856329.db2.gz ZYZTYGOVSLPGPH-CABCVRRESA-N 2 2 335.452 -0.157 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929101 740622027 /nfs/dbraw/zinc/62/20/27/740622027.db2.gz VCWPOQLBCRWUAP-BBWFWOEESA-N 2 2 342.447 -0.015 20 30 EBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](n2ccnn2)C1 ZINC001069929101 740622028 /nfs/dbraw/zinc/62/20/28/740622028.db2.gz VCWPOQLBCRWUAP-BBWFWOEESA-N 2 2 342.447 -0.015 20 30 EBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](n2ccnn2)C1 ZINC001069980220 740644752 /nfs/dbraw/zinc/64/47/52/740644752.db2.gz IUFFPYWARSITCC-CABCVRRESA-N 2 2 327.392 -0.152 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001070320058 740785694 /nfs/dbraw/zinc/78/56/94/740785694.db2.gz VSAMNIMYOCFUKA-CABCVRRESA-N 2 2 327.392 -0.381 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@H+](CC(N)=O)CCCO2)CC1 ZINC001073899646 741781349 /nfs/dbraw/zinc/78/13/49/741781349.db2.gz ZGENSKUZDWZPOM-HNNXBMFYSA-N 2 2 336.436 -0.976 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2C[N@@H+](CC(N)=O)CCCO2)CC1 ZINC001073899646 741781352 /nfs/dbraw/zinc/78/13/52/741781352.db2.gz ZGENSKUZDWZPOM-HNNXBMFYSA-N 2 2 336.436 -0.976 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129043 742745897 /nfs/dbraw/zinc/74/58/97/742745897.db2.gz QWPIPODOPFQQFV-BRWVUGGUSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001077129043 742745900 /nfs/dbraw/zinc/74/59/00/742745900.db2.gz QWPIPODOPFQQFV-BRWVUGGUSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001077129043 742745904 /nfs/dbraw/zinc/74/59/04/742745904.db2.gz QWPIPODOPFQQFV-BRWVUGGUSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)C1 ZINC001077129043 742745906 /nfs/dbraw/zinc/74/59/06/742745906.db2.gz QWPIPODOPFQQFV-BRWVUGGUSA-N 2 2 335.448 -0.186 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)Cn3cc[nH+]c3C)C2)C1=O ZINC001078183412 743522633 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2 333.440 -0.460 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001274936034 817126515 /nfs/dbraw/zinc/12/65/15/817126515.db2.gz BLKJWGCSVZQLDL-AWEZNQCLSA-N 2 2 338.452 -0.981 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001275250512 817176945 /nfs/dbraw/zinc/17/69/45/817176945.db2.gz JTCIVZLEIMEZHM-SHARSMKWSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CCn2cc[nH+]c2)C1 ZINC001275268268 817185315 /nfs/dbraw/zinc/18/53/15/817185315.db2.gz ICOMHQYAGFATHP-WLYUNCDWSA-N 2 2 331.420 -0.105 20 30 EBEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC#N)C2)CC[N@@H+]1C ZINC001276380673 817393987 /nfs/dbraw/zinc/39/39/87/817393987.db2.gz CDZVRABTEMGQBI-AEGPPILISA-N 2 2 335.452 -0.207 20 30 EBEDLP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2C[NH+](CC(=O)NCC#N)C2)CC[N@H+]1C ZINC001276380673 817393999 /nfs/dbraw/zinc/39/39/99/817393999.db2.gz CDZVRABTEMGQBI-AEGPPILISA-N 2 2 335.452 -0.207 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)CCO1 ZINC001276777879 817473228 /nfs/dbraw/zinc/47/32/28/817473228.db2.gz HBPSKANVWNKZES-ZFWWWQNUSA-N 2 2 347.419 -0.703 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)CCO1 ZINC001276777879 817473233 /nfs/dbraw/zinc/47/32/33/817473233.db2.gz HBPSKANVWNKZES-ZFWWWQNUSA-N 2 2 347.419 -0.703 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276886964 817489243 /nfs/dbraw/zinc/48/92/43/817489243.db2.gz RNODICOMIKRQON-HNNXBMFYSA-N 2 2 343.431 -0.055 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276886964 817489248 /nfs/dbraw/zinc/48/92/48/817489248.db2.gz RNODICOMIKRQON-HNNXBMFYSA-N 2 2 343.431 -0.055 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)c1cc(C[NH+](C)C)on1 ZINC001277872949 817649780 /nfs/dbraw/zinc/64/97/80/817649780.db2.gz TYIPGQPNOGEQJH-STQMWFEESA-N 2 2 349.435 -0.076 20 30 EBEDLP C=CCN1CC[C@H]([NH2+][C@@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001278186516 817720818 /nfs/dbraw/zinc/72/08/18/817720818.db2.gz FRNLEAGITUBHCU-OLZOCXBDSA-N 2 2 335.408 -0.886 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001091075585 817862962 /nfs/dbraw/zinc/86/29/62/817862962.db2.gz OMSUVEQMGIPSAD-RUXDESIVSA-N 2 2 331.424 -0.708 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nnnn2C)C1 ZINC001091075585 817862968 /nfs/dbraw/zinc/86/29/68/817862968.db2.gz OMSUVEQMGIPSAD-RUXDESIVSA-N 2 2 331.424 -0.708 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@@H+](C)CC#CCOC ZINC001278859755 817870009 /nfs/dbraw/zinc/87/00/09/817870009.db2.gz HOHQIXFKKAAFKN-IRXDYDNUSA-N 2 2 335.448 -0.515 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[N@H+](C)CC#CCOC ZINC001278859755 817870017 /nfs/dbraw/zinc/87/00/17/817870017.db2.gz HOHQIXFKKAAFKN-IRXDYDNUSA-N 2 2 335.448 -0.515 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC#CCOC ZINC001278859755 817870029 /nfs/dbraw/zinc/87/00/29/817870029.db2.gz HOHQIXFKKAAFKN-IRXDYDNUSA-N 2 2 335.448 -0.515 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH+](C)CC#CCOC ZINC001278859755 817870037 /nfs/dbraw/zinc/87/00/37/817870037.db2.gz HOHQIXFKKAAFKN-IRXDYDNUSA-N 2 2 335.448 -0.515 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263896 818029598 /nfs/dbraw/zinc/02/95/98/818029598.db2.gz OCUAJRGTCFXTCC-LSDHHAIUSA-N 2 2 345.447 -0.071 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001280263894 818029628 /nfs/dbraw/zinc/02/96/28/818029628.db2.gz OCUAJRGTCFXTCC-GJZGRUSLSA-N 2 2 345.447 -0.071 20 30 EBEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC001094282570 818204949 /nfs/dbraw/zinc/20/49/49/818204949.db2.gz WHQFOWJLDXGCRA-OAHLLOKOSA-N 2 2 334.424 -0.342 20 30 EBEDLP C=CCC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC001094282570 818204955 /nfs/dbraw/zinc/20/49/55/818204955.db2.gz WHQFOWJLDXGCRA-OAHLLOKOSA-N 2 2 334.424 -0.342 20 30 EBEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)nn2)C1 ZINC001094293193 818213243 /nfs/dbraw/zinc/21/32/43/818213243.db2.gz DBNNOVBUXKOXCD-GOEBONIOSA-N 2 2 346.435 -0.200 20 30 EBEDLP C=CC[NH+]1CC(n2cc(CNC(=O)[C@H]3C[N@H+]4CCC[C@H]4CO3)nn2)C1 ZINC001094293193 818213252 /nfs/dbraw/zinc/21/32/52/818213252.db2.gz DBNNOVBUXKOXCD-GOEBONIOSA-N 2 2 346.435 -0.200 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N(C)CC(C)(C)C[NH2+]CC(=O)NCC#N ZINC001282337964 818394874 /nfs/dbraw/zinc/39/48/74/818394874.db2.gz QXWZAPFXIUBMES-UHFFFAOYSA-N 2 2 334.424 -0.025 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)Cn3c[nH+]cc3C)CC2=O)C1 ZINC001094759407 818431664 /nfs/dbraw/zinc/43/16/64/818431664.db2.gz IMRMXURXAIHMTE-AWEZNQCLSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC(=O)N(C3C[NH+](CC=C)C3)C2)CC1 ZINC001094819579 818515494 /nfs/dbraw/zinc/51/54/94/818515494.db2.gz UCGFWOUUGCVAEE-MRXNPFEDSA-N 2 2 344.459 -0.081 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH]c[nH+]2)C1 ZINC001283043057 818604197 /nfs/dbraw/zinc/60/41/97/818604197.db2.gz YUCUVZPPLDQSRN-UMVBOHGHSA-N 2 2 331.420 -0.035 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)CCc2c[nH+]c[nH]2)C1 ZINC001283043057 818604201 /nfs/dbraw/zinc/60/42/01/818604201.db2.gz YUCUVZPPLDQSRN-UMVBOHGHSA-N 2 2 331.420 -0.035 20 30 EBEDLP COCC#CC[NH2+][C@@H](CO)CNC(=O)c1ccn2c(C)c[nH+]c2c1 ZINC001283757592 818933609 /nfs/dbraw/zinc/93/36/09/818933609.db2.gz UZZOJBIUWGSIJW-OAHLLOKOSA-N 2 2 330.388 -0.027 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CO)CNC(=O)C(C)(C)n1c[nH+]c(C)c1 ZINC001283770508 818941157 /nfs/dbraw/zinc/94/11/57/818941157.db2.gz DMSDNAFMPQYOSS-KGLIPLIRSA-N 2 2 349.435 -0.869 20 30 EBEDLP C=CCNC(=O)C[NH2+][C@@H](CO)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001283795278 818954712 /nfs/dbraw/zinc/95/47/12/818954712.db2.gz CVLHNUNQFVFYMO-ZIAGYGMSSA-N 2 2 349.435 -0.877 20 30 EBEDLP C#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098766901 819358893 /nfs/dbraw/zinc/35/88/93/819358893.db2.gz HSFSBMZPSHYNCF-OAHLLOKOSA-N 2 2 328.420 -0.130 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001099899478 819869829 /nfs/dbraw/zinc/86/98/29/819869829.db2.gz UEBXIXAGIHOWEQ-KGLIPLIRSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001099899478 819869840 /nfs/dbraw/zinc/86/98/40/819869840.db2.gz UEBXIXAGIHOWEQ-KGLIPLIRSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899478 819869851 /nfs/dbraw/zinc/86/98/51/819869851.db2.gz UEBXIXAGIHOWEQ-KGLIPLIRSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001099899478 819869865 /nfs/dbraw/zinc/86/98/65/819869865.db2.gz UEBXIXAGIHOWEQ-KGLIPLIRSA-N 2 2 338.452 -0.983 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899484 819870158 /nfs/dbraw/zinc/87/01/58/819870158.db2.gz UELPHCDUADONSX-ZIAGYGMSSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899484 819870170 /nfs/dbraw/zinc/87/01/70/819870170.db2.gz UELPHCDUADONSX-ZIAGYGMSSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899484 819870181 /nfs/dbraw/zinc/87/01/81/819870181.db2.gz UELPHCDUADONSX-ZIAGYGMSSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899484 819870193 /nfs/dbraw/zinc/87/01/93/819870193.db2.gz UELPHCDUADONSX-ZIAGYGMSSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)[C@@H](O)C1 ZINC001099917054 819913188 /nfs/dbraw/zinc/91/31/88/819913188.db2.gz XXMYTMWATZUBNV-KGLIPLIRSA-N 2 2 335.408 -0.955 20 30 EBEDLP 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C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001179022718 832942861 /nfs/dbraw/zinc/94/28/61/832942861.db2.gz UBDBKAWSEKMNQO-GUTXKFCHSA-N 2 2 344.419 -0.336 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177970 834238708 /nfs/dbraw/zinc/23/87/08/834238708.db2.gz SFOHZUCUXOQTGU-CWRNSKLLSA-N 2 2 343.431 -0.138 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177970 834238712 /nfs/dbraw/zinc/23/87/12/834238712.db2.gz SFOHZUCUXOQTGU-CWRNSKLLSA-N 2 2 343.431 -0.138 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196924507 835481386 /nfs/dbraw/zinc/48/13/86/835481386.db2.gz BOUKWSUCTKKFRA-HZPDHXFCSA-N 2 2 334.420 -0.217 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001196924507 835481392 /nfs/dbraw/zinc/48/13/92/835481392.db2.gz BOUKWSUCTKKFRA-HZPDHXFCSA-N 2 2 334.420 -0.217 20 30 EBEDLP 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EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1oc(C)nc1C ZINC001320233101 838718541 /nfs/dbraw/zinc/71/85/41/838718541.db2.gz FGUMGQFNGCFXOG-GJZGRUSLSA-N 2 2 334.420 -0.044 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1oc(C)nc1C ZINC001320233101 838718546 /nfs/dbraw/zinc/71/85/46/838718546.db2.gz FGUMGQFNGCFXOG-GJZGRUSLSA-N 2 2 334.420 -0.044 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](O)C[NH2+][C@H](C)c2nc(C)no2)CC1 ZINC001320316222 838756629 /nfs/dbraw/zinc/75/66/29/838756629.db2.gz LWAFKRWPIVCROS-IUODEOHRSA-N 2 2 349.435 -0.149 20 30 EBEDLP C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC001322777726 839259817 /nfs/dbraw/zinc/25/98/17/839259817.db2.gz AQYHPOQFYSYAAC-UONOGXRCSA-N 2 2 338.452 -0.412 20 30 EBEDLP C=C[C@@H](COC)NC(=O)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC001322777726 839259822 /nfs/dbraw/zinc/25/98/22/839259822.db2.gz AQYHPOQFYSYAAC-UONOGXRCSA-N 2 2 338.452 -0.412 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]C1(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001323553928 839470544 /nfs/dbraw/zinc/47/05/44/839470544.db2.gz CEPXWVSGCJZYEM-NSHDSACASA-N 2 2 348.407 -0.409 20 30 EBEDLP CN(CCC[N@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001327265809 840346832 /nfs/dbraw/zinc/34/68/32/840346832.db2.gz VTTBDAJAVGFXGL-ZIAGYGMSSA-N 2 2 346.435 -0.056 20 30 EBEDLP CN(CCC[N@@H+](C)CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001327265809 840346843 /nfs/dbraw/zinc/34/68/43/840346843.db2.gz VTTBDAJAVGFXGL-ZIAGYGMSSA-N 2 2 346.435 -0.056 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001328879999 840777307 /nfs/dbraw/zinc/77/73/07/840777307.db2.gz RCPRWQMWQRQHDL-SHARSMKWSA-N 2 2 343.431 -0.321 20 30 EBEDLP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CC(=O)NCC#N)C1 ZINC001330055257 841103950 /nfs/dbraw/zinc/10/39/50/841103950.db2.gz UOSFGCJTQJPMOZ-CYBMUJFWSA-N 2 2 335.452 -0.205 20 30 EBEDLP C[C@@H](CN(C)C(=O)[C@H]1CCn2c[nH+]cc2C1)[NH2+]CC(=O)NCC#N 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ZINC001316707606 821830970 /nfs/dbraw/zinc/83/09/70/821830970.db2.gz ANQIMTZLYRQOPT-ZBFHGGJFSA-N 2 2 345.447 -0.071 20 30 EBEDLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106224357 822235244 /nfs/dbraw/zinc/23/52/44/822235244.db2.gz WXUOTUMXGMCVDI-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106224357 822235249 /nfs/dbraw/zinc/23/52/49/822235249.db2.gz WXUOTUMXGMCVDI-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106498874 822278140 /nfs/dbraw/zinc/27/81/40/822278140.db2.gz UXUIMIZUBGKGPH-ZIAGYGMSSA-N 2 2 332.408 -0.403 20 30 EBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851216 828539397 /nfs/dbraw/zinc/53/93/97/828539397.db2.gz DDTZDXWXQPJUNT-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851216 828539399 /nfs/dbraw/zinc/53/93/99/828539399.db2.gz DDTZDXWXQPJUNT-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851216 828539401 /nfs/dbraw/zinc/53/94/01/828539401.db2.gz DDTZDXWXQPJUNT-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851216 828539404 /nfs/dbraw/zinc/53/94/04/828539404.db2.gz DDTZDXWXQPJUNT-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+](C)C3CCC3)CC2=O)C1 ZINC001108552933 824365282 /nfs/dbraw/zinc/36/52/82/824365282.db2.gz YPSUKHXFOCHHIQ-AWEZNQCLSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+](C)C3CCC3)CC2=O)C1 ZINC001108552933 824365285 /nfs/dbraw/zinc/36/52/85/824365285.db2.gz YPSUKHXFOCHHIQ-AWEZNQCLSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCn1cc[nH+]c1)C2 ZINC001108735886 824427610 /nfs/dbraw/zinc/42/76/10/824427610.db2.gz OMYQORJFIXUOAX-JYJNAYRXSA-N 2 2 343.431 -0.008 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108786465 824437220 /nfs/dbraw/zinc/43/72/20/824437220.db2.gz ARMGSCTUOLKSBA-AVGNSLFASA-N 2 2 330.392 -0.439 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569633 824756988 /nfs/dbraw/zinc/75/69/88/824756988.db2.gz UKJXLOAWUHFSTD-FPCVCCKLSA-N 2 2 345.447 -0.311 20 30 EBEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569633 824756992 /nfs/dbraw/zinc/75/69/92/824756992.db2.gz UKJXLOAWUHFSTD-FPCVCCKLSA-N 2 2 345.447 -0.311 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021341 825372980 /nfs/dbraw/zinc/37/29/80/825372980.db2.gz ICACWWXOUPOTKK-MPGHIAIKSA-N 2 2 343.431 -0.008 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)Cn2cc[nH+]c2)C1 ZINC001112021341 825372990 /nfs/dbraw/zinc/37/29/90/825372990.db2.gz ICACWWXOUPOTKK-MPGHIAIKSA-N 2 2 343.431 -0.008 20 30 EBEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114976335 826388244 /nfs/dbraw/zinc/38/82/44/826388244.db2.gz XVKSNXHBCYVUIA-HALDLXJZSA-N 2 2 344.419 -0.342 20 30 EBEDLP Cc1[nH+]ccn1CCCC(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114976335 826388249 /nfs/dbraw/zinc/38/82/49/826388249.db2.gz XVKSNXHBCYVUIA-HALDLXJZSA-N 2 2 344.419 -0.342 20 30 EBEDLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115299581 826500851 /nfs/dbraw/zinc/50/08/51/826500851.db2.gz BERVWMYLVOTUIS-CTASWTNQSA-N 2 2 333.436 -0.453 20 30 EBEDLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21 ZINC001115299581 826500854 /nfs/dbraw/zinc/50/08/54/826500854.db2.gz BERVWMYLVOTUIS-CTASWTNQSA-N 2 2 333.436 -0.453 20 30 EBEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115299581 826500856 /nfs/dbraw/zinc/50/08/56/826500856.db2.gz BERVWMYLVOTUIS-CTASWTNQSA-N 2 2 333.436 -0.453 20 30 EBEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001115299581 826500859 /nfs/dbraw/zinc/50/08/59/826500859.db2.gz BERVWMYLVOTUIS-CTASWTNQSA-N 2 2 333.436 -0.453 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)CCc1[nH]cc[nH+]1 ZINC001126447235 828195305 /nfs/dbraw/zinc/19/53/05/828195305.db2.gz BDATWZNPXCISAI-LLVKDONJSA-N 2 2 336.396 -0.552 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001183774374 833306068 /nfs/dbraw/zinc/30/60/68/833306068.db2.gz ZRJUOFZSEYAQJX-CHWSQXEVSA-N 2 2 330.392 -0.724 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1=O ZINC001130484612 828863573 /nfs/dbraw/zinc/86/35/73/828863573.db2.gz RDOVJLOSLKRPEK-ZIAGYGMSSA-N 2 2 331.420 -0.062 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001185379615 833357253 /nfs/dbraw/zinc/35/72/53/833357253.db2.gz DXQLXOIFFCILTJ-KGLIPLIRSA-N 2 2 331.420 -0.224 20 30 EBEDLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185379778 833357263 /nfs/dbraw/zinc/35/72/63/833357263.db2.gz GFWQVYLQBYSWHZ-STQMWFEESA-N 2 2 332.408 -0.334 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924927 833378068 /nfs/dbraw/zinc/37/80/68/833378068.db2.gz HMBYFOJLGHCJPA-VXGBXAGGSA-N 2 2 348.407 -0.457 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H](C)C[C@H](C)NC(=O)CCc1c[nH+]cn1C ZINC001136051600 830071520 /nfs/dbraw/zinc/07/15/20/830071520.db2.gz CYYMHMHIGSTGMY-KGLIPLIRSA-N 2 2 333.436 -0.025 20 30 EBEDLP C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)CCC#N)CC2)C1=O ZINC001143194530 830145835 /nfs/dbraw/zinc/14/58/35/830145835.db2.gz YWWBPXXZANCRSO-UHFFFAOYSA-N 2 2 335.452 -0.013 20 30 EBEDLP C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)CCC#N)CC2)C1=O ZINC001143194530 830145842 /nfs/dbraw/zinc/14/58/42/830145842.db2.gz YWWBPXXZANCRSO-UHFFFAOYSA-N 2 2 335.452 -0.013 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)c1cccc(-n2cc[nH+]c2)c1 ZINC001146458080 830201731 /nfs/dbraw/zinc/20/17/31/830201731.db2.gz FGVGCTGHGQKFIL-UHFFFAOYSA-N 2 2 325.372 -0.059 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147297507 830317173 /nfs/dbraw/zinc/31/71/73/830317173.db2.gz LTNAYARHAUDAMZ-CQSZACIVSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147297507 830317179 /nfs/dbraw/zinc/31/71/79/830317179.db2.gz LTNAYARHAUDAMZ-CQSZACIVSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297507 830317186 /nfs/dbraw/zinc/31/71/86/830317186.db2.gz LTNAYARHAUDAMZ-CQSZACIVSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297507 830317195 /nfs/dbraw/zinc/31/71/95/830317195.db2.gz LTNAYARHAUDAMZ-CQSZACIVSA-N 2 2 336.436 -0.847 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898022 830428312 /nfs/dbraw/zinc/42/83/12/830428312.db2.gz AWQMVJDRPOALQR-HNNXBMFYSA-N 2 2 343.431 -0.136 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3c[nH+]cc3C)C2)C1 ZINC001147898022 830428315 /nfs/dbraw/zinc/42/83/15/830428315.db2.gz AWQMVJDRPOALQR-HNNXBMFYSA-N 2 2 343.431 -0.136 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755337 830536053 /nfs/dbraw/zinc/53/60/53/830536053.db2.gz VJAVHGZCPIPCIN-CQSZACIVSA-N 2 2 343.431 -0.136 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755337 830536062 /nfs/dbraw/zinc/53/60/62/830536062.db2.gz VJAVHGZCPIPCIN-CQSZACIVSA-N 2 2 343.431 -0.136 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149397932 830656434 /nfs/dbraw/zinc/65/64/34/830656434.db2.gz IIQGRMHFBPNUTH-CABCVRRESA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149397932 830656438 /nfs/dbraw/zinc/65/64/38/830656438.db2.gz IIQGRMHFBPNUTH-CABCVRRESA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397932 830656444 /nfs/dbraw/zinc/65/64/44/830656444.db2.gz IIQGRMHFBPNUTH-CABCVRRESA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397932 830656451 /nfs/dbraw/zinc/65/64/51/830656451.db2.gz IIQGRMHFBPNUTH-CABCVRRESA-N 2 2 336.436 -0.963 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218002 830840708 /nfs/dbraw/zinc/84/07/08/830840708.db2.gz DUHABLPOBXXXDH-AWEZNQCLSA-N 2 2 326.441 -0.553 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001150218002 830840714 /nfs/dbraw/zinc/84/07/14/830840714.db2.gz DUHABLPOBXXXDH-AWEZNQCLSA-N 2 2 326.441 -0.553 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351448 830873117 /nfs/dbraw/zinc/87/31/17/830873117.db2.gz ZJNLVVPCTQZOOJ-GJZGRUSLSA-N 2 2 340.468 -0.164 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001150351448 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ZINC000900743704 582781096 /nfs/dbraw/zinc/78/10/96/582781096.db2.gz VFFAXVQINJOJNM-OAHLLOKOSA-N 2 2 338.452 -0.456 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741714744 583074403 /nfs/dbraw/zinc/07/44/03/583074403.db2.gz QMAGJKNYOQXJOQ-HNNXBMFYSA-N 2 2 346.435 -0.403 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000741714744 583074405 /nfs/dbraw/zinc/07/44/05/583074405.db2.gz QMAGJKNYOQXJOQ-HNNXBMFYSA-N 2 2 346.435 -0.403 20 30 EBEDLP C[NH+]=C(NCCN1CCOCC1)NCC(C)(C)[NH+]1CCOCC1 ZINC000849055236 584165503 /nfs/dbraw/zinc/16/55/03/584165503.db2.gz XDSHMCAGZJXBDU-UHFFFAOYSA-N 2 2 327.473 -0.406 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@H]2CCC[C@H](OC)C2)CC1 ZINC000852351245 584211416 /nfs/dbraw/zinc/21/14/16/584211416.db2.gz KMQBSZRBBQUCRQ-YESZJQIVSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](CO)[C@@H]2CCC[C@@H](OC)C2)CC1 ZINC000852351242 584211516 /nfs/dbraw/zinc/21/15/16/584211516.db2.gz KMQBSZRBBQUCRQ-BRWVUGGUSA-N 2 2 337.464 -0.081 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000884227017 584619651 /nfs/dbraw/zinc/61/96/51/584619651.db2.gz GHFAOYFEVLIQBD-KGLIPLIRSA-N 2 2 325.409 -0.386 20 30 EBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000890369147 584694629 /nfs/dbraw/zinc/69/46/29/584694629.db2.gz QTIKUDBAMMYIMC-AWEZNQCLSA-N 2 2 335.452 -0.325 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C(C)(C)C(N)=O)CC2)C1 ZINC000890369147 584694631 /nfs/dbraw/zinc/69/46/31/584694631.db2.gz QTIKUDBAMMYIMC-AWEZNQCLSA-N 2 2 335.452 -0.325 20 30 EBEDLP CN(C)C(=[NH2+])NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000261976905 649986094 /nfs/dbraw/zinc/98/60/94/649986094.db2.gz GIDQHYZPLJOTCA-UHFFFAOYSA-N 2 2 340.453 -0.590 20 30 EBEDLP C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000932178182 651669635 /nfs/dbraw/zinc/66/96/35/651669635.db2.gz KGOFJKJSDZJPAI-CABCVRRESA-N 2 2 336.436 -0.030 20 30 EBEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413893 652722697 /nfs/dbraw/zinc/72/26/97/652722697.db2.gz IWBPYHBHIVQWNI-SJLPKXTDSA-N 2 2 346.475 -0.299 20 30 EBEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000941413893 652722701 /nfs/dbraw/zinc/72/27/01/652722701.db2.gz IWBPYHBHIVQWNI-SJLPKXTDSA-N 2 2 346.475 -0.299 20 30 EBEDLP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000958588507 722396584 /nfs/dbraw/zinc/39/65/84/722396584.db2.gz SYLGFOUAPVUMBD-CJNGLKHVSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc(-n3cc[nH+]c3)cn2)C1 ZINC000958588507 722396586 /nfs/dbraw/zinc/39/65/86/722396586.db2.gz SYLGFOUAPVUMBD-CJNGLKHVSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018986183 728764241 /nfs/dbraw/zinc/76/42/41/728764241.db2.gz UOIQHGKTAXVLDF-ZFWWWQNUSA-N 2 2 343.435 -0.204 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC001018986183 728764243 /nfs/dbraw/zinc/76/42/43/728764243.db2.gz UOIQHGKTAXVLDF-ZFWWWQNUSA-N 2 2 343.435 -0.204 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999392647 726517897 /nfs/dbraw/zinc/51/78/97/726517897.db2.gz RRQPROMUSKGSQJ-HOCLYGCPSA-N 2 2 330.436 -0.007 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nn2)C1 ZINC000999392647 726517898 /nfs/dbraw/zinc/51/78/98/726517898.db2.gz RRQPROMUSKGSQJ-HOCLYGCPSA-N 2 2 330.436 -0.007 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999390249 726517937 /nfs/dbraw/zinc/51/79/37/726517937.db2.gz FSRMAJOIWRCOKC-ZBFHGGJFSA-N 2 2 330.436 -0.007 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000999390249 726517938 /nfs/dbraw/zinc/51/79/38/726517938.db2.gz FSRMAJOIWRCOKC-ZBFHGGJFSA-N 2 2 330.436 -0.007 20 30 EBEDLP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975124 726546363 /nfs/dbraw/zinc/54/63/63/726546363.db2.gz ORRPUBMPHFWRCD-HUUCEWRRSA-N 2 2 334.424 -0.342 20 30 EBEDLP C=CC[NH+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975124 726546364 /nfs/dbraw/zinc/54/63/64/726546364.db2.gz ORRPUBMPHFWRCD-HUUCEWRRSA-N 2 2 334.424 -0.342 20 30 EBEDLP C=CC[N@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975124 726546365 /nfs/dbraw/zinc/54/63/65/726546365.db2.gz ORRPUBMPHFWRCD-HUUCEWRRSA-N 2 2 334.424 -0.342 20 30 EBEDLP C=CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975124 726546366 /nfs/dbraw/zinc/54/63/66/726546366.db2.gz ORRPUBMPHFWRCD-HUUCEWRRSA-N 2 2 334.424 -0.342 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001014780613 728008535 /nfs/dbraw/zinc/00/85/35/728008535.db2.gz TZGLLHCRBBRGHT-CABCVRRESA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014780613 728008540 /nfs/dbraw/zinc/00/85/40/728008540.db2.gz TZGLLHCRBBRGHT-CABCVRRESA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001014780613 728008545 /nfs/dbraw/zinc/00/85/45/728008545.db2.gz TZGLLHCRBBRGHT-CABCVRRESA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001014780613 728008547 /nfs/dbraw/zinc/00/85/47/728008547.db2.gz TZGLLHCRBBRGHT-CABCVRRESA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](Cc3cnnn3C)C2)CC1 ZINC001016336921 728458624 /nfs/dbraw/zinc/45/86/24/728458624.db2.gz OMUKTNJQUOVJHG-OAHLLOKOSA-N 2 2 330.436 -0.149 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3cnnn3C)C2)CC1 ZINC001016336921 728458625 /nfs/dbraw/zinc/45/86/25/728458625.db2.gz OMUKTNJQUOVJHG-OAHLLOKOSA-N 2 2 330.436 -0.149 20 30 EBEDLP N#CCN1CC[NH+]([C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001052098065 735544371 /nfs/dbraw/zinc/54/43/71/735544371.db2.gz DMIIZAPADRALFQ-MRXNPFEDSA-N 2 2 335.452 -0.549 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026892786 730168223 /nfs/dbraw/zinc/16/82/23/730168223.db2.gz CAUYJJSHPLYURL-KBPBESRZSA-N 2 2 346.435 -0.856 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001026892786 730168225 /nfs/dbraw/zinc/16/82/25/730168225.db2.gz CAUYJJSHPLYURL-KBPBESRZSA-N 2 2 346.435 -0.856 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001030019180 730535414 /nfs/dbraw/zinc/53/54/14/730535414.db2.gz DJXYZCLIPUEIND-KKUMJFAQSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001030019180 730535416 /nfs/dbraw/zinc/53/54/16/730535416.db2.gz DJXYZCLIPUEIND-KKUMJFAQSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033160068 730979906 /nfs/dbraw/zinc/97/99/06/730979906.db2.gz DIMAQGNLYOCOEU-HOTGVXAUSA-N 2 2 330.436 -0.092 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](CCn2cncn2)C1 ZINC001033160068 730979908 /nfs/dbraw/zinc/97/99/08/730979908.db2.gz DIMAQGNLYOCOEU-HOTGVXAUSA-N 2 2 330.436 -0.092 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033160068 730979909 /nfs/dbraw/zinc/97/99/09/730979909.db2.gz DIMAQGNLYOCOEU-HOTGVXAUSA-N 2 2 330.436 -0.092 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033160068 730979911 /nfs/dbraw/zinc/97/99/11/730979911.db2.gz DIMAQGNLYOCOEU-HOTGVXAUSA-N 2 2 330.436 -0.092 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034664589 731149284 /nfs/dbraw/zinc/14/92/84/731149284.db2.gz IVKRDDWHWCBBBF-KKUMJFAQSA-N 2 2 345.451 -0.175 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnnn2C)CC1 ZINC001034664589 731149286 /nfs/dbraw/zinc/14/92/86/731149286.db2.gz IVKRDDWHWCBBBF-KKUMJFAQSA-N 2 2 345.451 -0.175 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@@H+](CC(=O)NC)C2)C1 ZINC001041368819 732104291 /nfs/dbraw/zinc/10/42/91/732104291.db2.gz QYSLEDUPEFKXLL-MAUKXSAKSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[N@H+](CC(=O)NC)C2)C1 ZINC001041368819 732104296 /nfs/dbraw/zinc/10/42/96/732104296.db2.gz QYSLEDUPEFKXLL-MAUKXSAKSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001041368819 732104299 /nfs/dbraw/zinc/10/42/99/732104299.db2.gz QYSLEDUPEFKXLL-MAUKXSAKSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CC(=O)NC)C2)C1 ZINC001041368819 732104302 /nfs/dbraw/zinc/10/43/02/732104302.db2.gz QYSLEDUPEFKXLL-MAUKXSAKSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045073283 733572562 /nfs/dbraw/zinc/57/25/62/733572562.db2.gz BGYYJFHTCZZOMX-KBPBESRZSA-N 2 2 331.424 -0.612 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]Cc1nnnn1C ZINC001045073283 733572565 /nfs/dbraw/zinc/57/25/65/733572565.db2.gz BGYYJFHTCZZOMX-KBPBESRZSA-N 2 2 331.424 -0.612 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048868686 734546199 /nfs/dbraw/zinc/54/61/99/734546199.db2.gz IWLZRDIDMZRYEI-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048868686 734546200 /nfs/dbraw/zinc/54/62/00/734546200.db2.gz IWLZRDIDMZRYEI-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048868686 734546203 /nfs/dbraw/zinc/54/62/03/734546203.db2.gz IWLZRDIDMZRYEI-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ncnn3C)C[C@@H]2C1 ZINC001048868686 734546204 /nfs/dbraw/zinc/54/62/04/734546204.db2.gz IWLZRDIDMZRYEI-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001054296161 736187687 /nfs/dbraw/zinc/18/76/87/736187687.db2.gz DJXYZCLIPUEIND-ZNMIVQPWSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001054296161 736187690 /nfs/dbraw/zinc/18/76/90/736187690.db2.gz DJXYZCLIPUEIND-ZNMIVQPWSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403123 740809219 /nfs/dbraw/zinc/80/92/19/740809219.db2.gz LDPQZPHLAQFYDQ-DZGCQCFKSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[NH+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403123 740809228 /nfs/dbraw/zinc/80/92/28/740809228.db2.gz LDPQZPHLAQFYDQ-DZGCQCFKSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403123 740809232 /nfs/dbraw/zinc/80/92/32/740809232.db2.gz LDPQZPHLAQFYDQ-DZGCQCFKSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@@H+]1CC[C@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403123 740809236 /nfs/dbraw/zinc/80/92/36/740809236.db2.gz LDPQZPHLAQFYDQ-DZGCQCFKSA-N 2 2 331.420 -0.221 20 30 EBEDLP 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ZINC001101214103 820724578 /nfs/dbraw/zinc/72/45/78/820724578.db2.gz OEXNOSWSRPUDJT-KDOFPFPSSA-N 2 2 343.431 -0.128 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCc3[nH]cc[nH+]3)C[C@]2(C)C1 ZINC001101214103 820724584 /nfs/dbraw/zinc/72/45/84/820724584.db2.gz OEXNOSWSRPUDJT-KDOFPFPSSA-N 2 2 343.431 -0.128 20 30 EBEDLP CN(CC[NH+]1CCN(c2ccnc(C#N)n2)CC1)C(=O)CC[NH+](C)C ZINC001102422697 821104273 /nfs/dbraw/zinc/10/42/73/821104273.db2.gz XVEYEZTVKMMYRJ-UHFFFAOYSA-N 2 2 345.451 -0.120 20 30 EBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102512889 821134810 /nfs/dbraw/zinc/13/48/10/821134810.db2.gz JFYJYYQWOXTYHH-CHWSQXEVSA-N 2 2 332.408 -0.714 20 30 EBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001102512889 821134812 /nfs/dbraw/zinc/13/48/12/821134812.db2.gz JFYJYYQWOXTYHH-CHWSQXEVSA-N 2 2 332.408 -0.714 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)CC2 ZINC001127949742 828359074 /nfs/dbraw/zinc/35/90/74/828359074.db2.gz DLSOBTMROJLJTA-UONOGXRCSA-N 2 2 330.436 -0.084 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)CC2 ZINC001127949742 828359085 /nfs/dbraw/zinc/35/90/85/828359085.db2.gz DLSOBTMROJLJTA-UONOGXRCSA-N 2 2 330.436 -0.084 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)CC2 ZINC001127949740 828359359 /nfs/dbraw/zinc/35/93/59/828359359.db2.gz DLSOBTMROJLJTA-KBPBESRZSA-N 2 2 330.436 -0.084 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)CC2 ZINC001127949740 828359368 /nfs/dbraw/zinc/35/93/68/828359368.db2.gz DLSOBTMROJLJTA-KBPBESRZSA-N 2 2 330.436 -0.084 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105262142 821652441 /nfs/dbraw/zinc/65/24/41/821652441.db2.gz JDSUXABYIKJJTC-BBRMVZONSA-N 2 2 346.435 -0.771 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@H](C)O)nn2)C1 ZINC001105262142 821652443 /nfs/dbraw/zinc/65/24/43/821652443.db2.gz JDSUXABYIKJJTC-BBRMVZONSA-N 2 2 346.435 -0.771 20 30 EBEDLP C=CCNC(=O)C[NH2+]Cc1cn(C2CN(C(=O)CC[NH+](C)C)C2)nn1 ZINC001105318597 821689590 /nfs/dbraw/zinc/68/95/90/821689590.db2.gz HCGFZGUHIGRSEX-UHFFFAOYSA-N 2 2 349.439 -0.995 20 30 EBEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)nn1 ZINC001105372451 821726658 /nfs/dbraw/zinc/72/66/58/821726658.db2.gz HVAJLYICDCSAPI-AWEZNQCLSA-N 2 2 346.435 -0.648 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942673 821927071 /nfs/dbraw/zinc/92/70/71/821927071.db2.gz BUGFRTVDBBJUFH-GJZGRUSLSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942673 821927080 /nfs/dbraw/zinc/92/70/80/821927080.db2.gz BUGFRTVDBBJUFH-GJZGRUSLSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC2(C[C@@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001317008621 821971423 /nfs/dbraw/zinc/97/14/23/821971423.db2.gz ZSZSASQIDJRCQX-AWEZNQCLSA-N 2 2 329.404 -0.397 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)C1 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338.452 -0.458 20 30 EBEDLP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2C[N@H+](C)CCO2)C1=O ZINC001317477539 822125865 /nfs/dbraw/zinc/12/58/65/822125865.db2.gz LUXGFMRNGHYPRO-HUUCEWRRSA-N 2 2 338.452 -0.458 20 30 EBEDLP C=CCN1CC[C@@H]([NH+](CC)CCNC(=O)[C@H]2C[N@@H+](C)CCO2)C1=O ZINC001317477539 822125869 /nfs/dbraw/zinc/12/58/69/822125869.db2.gz LUXGFMRNGHYPRO-HUUCEWRRSA-N 2 2 338.452 -0.458 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512311 822138767 /nfs/dbraw/zinc/13/87/67/822138767.db2.gz JJRBZVBSYSNMJR-ZIAGYGMSSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512311 822138770 /nfs/dbraw/zinc/13/87/70/822138770.db2.gz JJRBZVBSYSNMJR-ZIAGYGMSSA-N 2 2 331.420 -0.319 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001318177602 822270214 /nfs/dbraw/zinc/27/02/14/822270214.db2.gz XXQWJBFEQYDEEH-UHFFFAOYSA-N 2 2 339.440 -0.614 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH+]1CC(CNC(=O)C[N@H+](C)C(C)C)C1 ZINC001318177602 822270222 /nfs/dbraw/zinc/27/02/22/822270222.db2.gz XXQWJBFEQYDEEH-UHFFFAOYSA-N 2 2 339.440 -0.614 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)NCC=C)C2)CC1 ZINC001318176244 822270245 /nfs/dbraw/zinc/27/02/45/822270245.db2.gz MDRPOXNCFNTWPB-UHFFFAOYSA-N 2 2 332.448 -0.318 20 30 EBEDLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001318486589 822327836 /nfs/dbraw/zinc/32/78/36/822327836.db2.gz ZVPWKJOMOXHBBX-CQSZACIVSA-N 2 2 333.436 -0.355 20 30 EBEDLP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001318486589 822327852 /nfs/dbraw/zinc/32/78/52/822327852.db2.gz ZVPWKJOMOXHBBX-CQSZACIVSA-N 2 2 333.436 -0.355 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001318490531 822327879 /nfs/dbraw/zinc/32/78/79/822327879.db2.gz ATUZDIKHKQAIBF-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](N(CC)C(=O)Cn2cc[nH+]c2C)C1 ZINC001318490531 822327892 /nfs/dbraw/zinc/32/78/92/822327892.db2.gz ATUZDIKHKQAIBF-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)Cn3c[nH+]cc3C)nn2)C1 ZINC001107185533 823783974 /nfs/dbraw/zinc/78/39/74/823783974.db2.gz WZLJCZLBILGOGX-UHFFFAOYSA-N 2 2 327.392 -0.021 20 30 EBEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)COCC[NH+](C)C)nn2)C1 ZINC001107229795 823815747 /nfs/dbraw/zinc/81/57/47/823815747.db2.gz SAPUZJPUCJXTLQ-UHFFFAOYSA-N 2 2 334.424 -0.648 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@H](NC(=O)CC[NH+]3CCOCC3)CC2=O)C1 ZINC001108581199 824391614 /nfs/dbraw/zinc/39/16/14/824391614.db2.gz KXANCQWGZWZUDV-OAHLLOKOSA-N 2 2 348.447 -0.867 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108834691 824443803 /nfs/dbraw/zinc/44/38/03/824443803.db2.gz ZHPATKUVBXFODC-IHRRRGAJSA-N 2 2 330.392 -0.508 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401867 824534696 /nfs/dbraw/zinc/53/46/96/824534696.db2.gz FXQXBJNVQVCDIY-AESZEHBQSA-N 2 2 332.448 -0.203 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H](C1CC1)[NH+](C)C)C2 ZINC001109401867 824534700 /nfs/dbraw/zinc/53/47/00/824534700.db2.gz FXQXBJNVQVCDIY-AESZEHBQSA-N 2 2 332.448 -0.203 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001129771489 828667230 /nfs/dbraw/zinc/66/72/30/828667230.db2.gz YLPUFOQCMSCIIU-OCCSQVGLSA-N 2 2 331.424 -0.128 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@H](C)c1nnnn1C1CC1 ZINC001129771489 828667234 /nfs/dbraw/zinc/66/72/34/828667234.db2.gz YLPUFOQCMSCIIU-OCCSQVGLSA-N 2 2 331.424 -0.128 20 30 EBEDLP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109980671 824638048 /nfs/dbraw/zinc/63/80/48/824638048.db2.gz WABIXJJYYKCLDJ-KBXIAJHMSA-N 2 2 333.436 -0.311 20 30 EBEDLP C[N@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001109980671 824638052 /nfs/dbraw/zinc/63/80/52/824638052.db2.gz WABIXJJYYKCLDJ-KBXIAJHMSA-N 2 2 333.436 -0.311 20 30 EBEDLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001109980671 824638057 /nfs/dbraw/zinc/63/80/57/824638057.db2.gz WABIXJJYYKCLDJ-KBXIAJHMSA-N 2 2 333.436 -0.311 20 30 EBEDLP C[NH+]1CC[C@H](CC(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001109980671 824638060 /nfs/dbraw/zinc/63/80/60/824638060.db2.gz WABIXJJYYKCLDJ-KBXIAJHMSA-N 2 2 333.436 -0.311 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129898026 828690294 /nfs/dbraw/zinc/69/02/94/828690294.db2.gz ZIKRDYOERYMZNR-GHMZBOCLSA-N 2 2 334.380 -0.769 20 30 EBEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)CC1 ZINC001110979004 824824630 /nfs/dbraw/zinc/82/46/30/824824630.db2.gz MNEJDDDMZLJSSG-KFWWJZLASA-N 2 2 333.436 -0.311 20 30 EBEDLP C[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)CC1 ZINC001110979004 824824640 /nfs/dbraw/zinc/82/46/40/824824640.db2.gz MNEJDDDMZLJSSG-KFWWJZLASA-N 2 2 333.436 -0.311 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277106 825043962 /nfs/dbraw/zinc/04/39/62/825043962.db2.gz ASHJPJFCSXLGJJ-KFWWJZLASA-N 2 2 338.452 -0.412 20 30 EBEDLP C=CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277106 825043973 /nfs/dbraw/zinc/04/39/73/825043973.db2.gz ASHJPJFCSXLGJJ-KFWWJZLASA-N 2 2 338.452 -0.412 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277100 825044377 /nfs/dbraw/zinc/04/43/77/825044377.db2.gz ACNRXPILIGRPOR-KFWWJZLASA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)COCC[NH+](C)C)C2 ZINC001111277100 825044380 /nfs/dbraw/zinc/04/43/80/825044380.db2.gz ACNRXPILIGRPOR-KFWWJZLASA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130153544 828740612 /nfs/dbraw/zinc/74/06/12/828740612.db2.gz YBPDMDOWDFJWOM-CABCVRRESA-N 2 2 327.392 -0.070 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)Cc3[nH]cc[nH+]3)C2)C1 ZINC001121953970 827490346 /nfs/dbraw/zinc/49/03/46/827490346.db2.gz LSJDINJYZUITNR-UHFFFAOYSA-N 2 2 329.404 -0.281 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127774357 828325232 /nfs/dbraw/zinc/32/52/32/828325232.db2.gz YSJABZMYDRFVJK-WFASDCNBSA-N 2 2 346.435 -0.366 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001127774357 828325238 /nfs/dbraw/zinc/32/52/38/828325238.db2.gz YSJABZMYDRFVJK-WFASDCNBSA-N 2 2 346.435 -0.366 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1=O ZINC001130478273 828860095 /nfs/dbraw/zinc/86/00/95/828860095.db2.gz WXASPASIANQUNA-UONOGXRCSA-N 2 2 331.420 -0.062 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2c[nH+]cn2C1 ZINC001130487736 828864615 /nfs/dbraw/zinc/86/46/15/828864615.db2.gz JXWYBEZQUFBYIW-GFCCVEGCSA-N 2 2 348.407 -0.837 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+]CCNC(=O)c2cc(C[NH+](C)C)on2)C1=O ZINC001130645714 828905063 /nfs/dbraw/zinc/90/50/63/828905063.db2.gz UFBKGHLCBSKKDW-CYBMUJFWSA-N 2 2 335.408 -0.158 20 30 EBEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@H+]3C)n2)O1 ZINC001130772682 828935156 /nfs/dbraw/zinc/93/51/56/828935156.db2.gz XOUPSWFWCRWJBI-BFHYXJOUSA-N 2 2 346.435 -0.042 20 30 EBEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3CCC[N@@H+]3C)n2)O1 ZINC001130772682 828935167 /nfs/dbraw/zinc/93/51/67/828935167.db2.gz XOUPSWFWCRWJBI-BFHYXJOUSA-N 2 2 346.435 -0.042 20 30 EBEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001185379775 833357181 /nfs/dbraw/zinc/35/71/81/833357181.db2.gz GFWQVYLQBYSWHZ-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001185924925 833377994 /nfs/dbraw/zinc/37/79/94/833377994.db2.gz HMBYFOJLGHCJPA-NWDGAFQWSA-N 2 2 348.407 -0.457 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001131822126 829229419 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20 30 EBEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114000330 376666302 /nfs/dbraw/zinc/66/63/02/376666302.db2.gz MFYZTPXIUHSKKH-AWEZNQCLSA-N 2 2 349.435 -0.057 20 30 EBEDLP CC#CC[NH2+]Cc1cn(CC(=O)NCC(C)(C)[NH+]2CCOCC2)nn1 ZINC000640866778 379362550 /nfs/dbraw/zinc/36/25/50/379362550.db2.gz ONRCYMXRQFRCDI-UHFFFAOYSA-N 2 2 348.451 -0.382 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000491209752 379589490 /nfs/dbraw/zinc/58/94/90/379589490.db2.gz LGVDXRURFPRINK-QZTJIDSGSA-N 2 2 335.448 -0.327 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825607 380436663 /nfs/dbraw/zinc/43/66/63/380436663.db2.gz IKSCRYZGTLJETB-QWHCGFSZSA-N 2 2 337.424 -0.717 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000362825607 380436668 /nfs/dbraw/zinc/43/66/68/380436668.db2.gz IKSCRYZGTLJETB-QWHCGFSZSA-N 2 2 337.424 -0.717 20 30 EBEDLP CN(C(=O)Cn1cnc(C#N)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 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BXHXAWHWDHXRQD-OAHLLOKOSA-N 2 2 341.500 -0.029 20 30 EBEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN(C)CC[N@@H+]2C)CC1 ZINC000329940973 381701148 /nfs/dbraw/zinc/70/11/48/381701148.db2.gz BXHXAWHWDHXRQD-HNNXBMFYSA-N 2 2 341.500 -0.029 20 30 EBEDLP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CN(C)CC[N@H+]2C)CC1 ZINC000329940973 381701157 /nfs/dbraw/zinc/70/11/57/381701157.db2.gz BXHXAWHWDHXRQD-HNNXBMFYSA-N 2 2 341.500 -0.029 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000119739422 381849074 /nfs/dbraw/zinc/84/90/74/381849074.db2.gz BYCREAJCVFQTTC-MRXNPFEDSA-N 2 2 330.436 -0.233 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000119739422 381849084 /nfs/dbraw/zinc/84/90/84/381849084.db2.gz BYCREAJCVFQTTC-MRXNPFEDSA-N 2 2 330.436 -0.233 20 30 EBEDLP Cn1c(NCC[NH+]2CCC([NH+](C)C)CC2)c(C#N)c(=O)n(C)c1=O ZINC000301574042 155169609 /nfs/dbraw/zinc/16/96/09/155169609.db2.gz YAIZHIHUXBSKJA-UHFFFAOYSA-N 2 2 334.424 -0.606 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000357282455 420611643 /nfs/dbraw/zinc/61/16/43/420611643.db2.gz FBXLZUJMDKXWMB-UHFFFAOYSA-N 2 2 342.407 -0.331 20 30 EBEDLP C[C@H](NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[C@H](C)[NH+]1CCOCC1 ZINC000329498669 545741160 /nfs/dbraw/zinc/74/11/60/545741160.db2.gz XWMYYLWQEXQOLR-SOUVJXGZSA-N 2 2 327.473 -0.155 20 30 EBEDLP C[C@H](NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[C@H](C)[NH+]1CCOCC1 ZINC000329498669 545741165 /nfs/dbraw/zinc/74/11/65/545741165.db2.gz XWMYYLWQEXQOLR-SOUVJXGZSA-N 2 2 327.473 -0.155 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903878876 582823032 /nfs/dbraw/zinc/82/30/32/582823032.db2.gz MGODNYSGCYCGHE-OAHLLOKOSA-N 2 2 347.467 -0.378 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000734466929 582873174 /nfs/dbraw/zinc/87/31/74/582873174.db2.gz GUCVZIIWBSKUEL-IRXDYDNUSA-N 2 2 334.464 -0.393 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2CCOCC2)C1 ZINC000734466929 582873176 /nfs/dbraw/zinc/87/31/76/582873176.db2.gz GUCVZIIWBSKUEL-IRXDYDNUSA-N 2 2 334.464 -0.393 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000734466929 582873178 /nfs/dbraw/zinc/87/31/78/582873178.db2.gz GUCVZIIWBSKUEL-IRXDYDNUSA-N 2 2 334.464 -0.393 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000734466929 582873180 /nfs/dbraw/zinc/87/31/80/582873180.db2.gz GUCVZIIWBSKUEL-IRXDYDNUSA-N 2 2 334.464 -0.393 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000820622893 583776246 /nfs/dbraw/zinc/77/62/46/583776246.db2.gz YIDMIDQBZADQIJ-HOTGVXAUSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000820622893 583776248 /nfs/dbraw/zinc/77/62/48/583776248.db2.gz YIDMIDQBZADQIJ-HOTGVXAUSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000852284829 584210884 /nfs/dbraw/zinc/21/08/84/584210884.db2.gz UIHLCZCXHRWXFY-SFHVURJKSA-N 2 2 349.475 -0.079 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3nnc(N)o3)CC2)CC1 ZINC000878815287 584545131 /nfs/dbraw/zinc/54/51/31/584545131.db2.gz CCLFVVBFZHVGSO-UHFFFAOYSA-N 2 2 332.408 -0.391 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H](c3nnc(N)o3)C2)CC1 ZINC000878945628 584545839 /nfs/dbraw/zinc/54/58/39/584545839.db2.gz PJGPOMLSLYVLQM-ZDUSSCGKSA-N 2 2 332.408 -0.391 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)CC1 ZINC000878945628 584545840 /nfs/dbraw/zinc/54/58/40/584545840.db2.gz PJGPOMLSLYVLQM-ZDUSSCGKSA-N 2 2 332.408 -0.391 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000954631958 719803917 /nfs/dbraw/zinc/80/39/17/719803917.db2.gz MAVNNMPGLYCQBX-INIZCTEOSA-N 2 2 343.431 -0.042 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001018986001 728763801 /nfs/dbraw/zinc/76/38/01/728763801.db2.gz PRDGRSQAPUUDEE-RDBSUJKOSA-N 2 2 331.424 -0.441 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001018986001 728763802 /nfs/dbraw/zinc/76/38/02/728763802.db2.gz PRDGRSQAPUUDEE-RDBSUJKOSA-N 2 2 331.424 -0.441 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001018986216 728764280 /nfs/dbraw/zinc/76/42/80/728764280.db2.gz WEHZTKDOBQWTLH-GJZGRUSLSA-N 2 2 345.451 -0.129 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]Cc2nnnn2CCC)C1 ZINC001018986216 728764283 /nfs/dbraw/zinc/76/42/83/728764283.db2.gz WEHZTKDOBQWTLH-GJZGRUSLSA-N 2 2 345.451 -0.129 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC000992581827 725814241 /nfs/dbraw/zinc/81/42/41/725814241.db2.gz NIKOBYDFAZTMPQ-HOTGVXAUSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[N@@H+](CC)CCO2)C1 ZINC000992581827 725814244 /nfs/dbraw/zinc/81/42/44/725814244.db2.gz NIKOBYDFAZTMPQ-HOTGVXAUSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000992581827 725814246 /nfs/dbraw/zinc/81/42/46/725814246.db2.gz NIKOBYDFAZTMPQ-HOTGVXAUSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC000992581827 725814249 /nfs/dbraw/zinc/81/42/49/725814249.db2.gz NIKOBYDFAZTMPQ-HOTGVXAUSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000997831676 726466994 /nfs/dbraw/zinc/46/69/94/726466994.db2.gz KGCSCUBEEHOZHS-HNNXBMFYSA-N 2 2 345.451 -0.364 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnn(C)n2)CC1 ZINC000997831676 726466995 /nfs/dbraw/zinc/46/69/95/726466995.db2.gz KGCSCUBEEHOZHS-HNNXBMFYSA-N 2 2 345.451 -0.364 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CCN(C(=O)Cc3[nH]cc[nH+]3)CC2)CC1 ZINC001011254419 727501268 /nfs/dbraw/zinc/50/12/68/727501268.db2.gz IRQJFJHVIFWXLA-UHFFFAOYSA-N 2 2 343.431 -0.032 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](CCN2CCCC2=O)C1 ZINC001014779441 728008309 /nfs/dbraw/zinc/00/83/09/728008309.db2.gz LANUALBLRFEURS-CVEARBPZSA-N 2 2 332.448 -0.103 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC001014779441 728008312 /nfs/dbraw/zinc/00/83/12/728008312.db2.gz LANUALBLRFEURS-CVEARBPZSA-N 2 2 332.448 -0.103 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001014779441 728008318 /nfs/dbraw/zinc/00/83/18/728008318.db2.gz LANUALBLRFEURS-CVEARBPZSA-N 2 2 332.448 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCCC2=O)C1 ZINC001014779441 728008322 /nfs/dbraw/zinc/00/83/22/728008322.db2.gz LANUALBLRFEURS-CVEARBPZSA-N 2 2 332.448 -0.103 20 30 EBEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043480 735518180 /nfs/dbraw/zinc/51/81/80/735518180.db2.gz ZMODINAEGDHSPQ-FGTMMUONSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CCC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043480 735518182 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/nfs/dbraw/zinc/40/00/72/730400072.db2.gz SVFXHYJYNVJSRT-YVSFHVDLSA-N 2 2 344.459 -0.010 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCN(C)C1=O ZINC001029342533 730400073 /nfs/dbraw/zinc/40/00/73/730400073.db2.gz SVFXHYJYNVJSRT-YVSFHVDLSA-N 2 2 344.459 -0.010 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCN(C)C1=O ZINC001029342533 730400074 /nfs/dbraw/zinc/40/00/74/730400074.db2.gz SVFXHYJYNVJSRT-YVSFHVDLSA-N 2 2 344.459 -0.010 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC001033162537 730980935 /nfs/dbraw/zinc/98/09/35/730980935.db2.gz RVVBCUQTGKKUMU-CVEARBPZSA-N 2 2 347.463 -0.358 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC001033162537 730980936 /nfs/dbraw/zinc/98/09/36/730980936.db2.gz RVVBCUQTGKKUMU-CVEARBPZSA-N 2 2 347.463 -0.358 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCN2CCNC2=O)C1 ZINC001033162537 730980937 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ZINC001105192069 821612445 /nfs/dbraw/zinc/61/24/45/821612445.db2.gz KRMGVHIVNRZAJQ-MRXNPFEDSA-N 2 2 346.435 -0.505 20 30 EBEDLP COCC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3CCC[N@H+]3C)C2)nn1 ZINC001105192069 821612450 /nfs/dbraw/zinc/61/24/50/821612450.db2.gz KRMGVHIVNRZAJQ-MRXNPFEDSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244053 821643533 /nfs/dbraw/zinc/64/35/33/821643533.db2.gz ORDIAOLZGYDTOD-GDBMZVCRSA-N 2 2 344.419 -0.753 20 30 EBEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)nn1 ZINC001105244053 821643536 /nfs/dbraw/zinc/64/35/36/821643536.db2.gz ORDIAOLZGYDTOD-GDBMZVCRSA-N 2 2 344.419 -0.753 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105262143 821652245 /nfs/dbraw/zinc/65/22/45/821652245.db2.gz JDSUXABYIKJJTC-CJNGLKHVSA-N 2 2 346.435 -0.771 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(n2cc(C[NH2+]C[C@@H](C)O)nn2)C1 ZINC001105262143 821652250 /nfs/dbraw/zinc/65/22/50/821652250.db2.gz JDSUXABYIKJJTC-CJNGLKHVSA-N 2 2 346.435 -0.771 20 30 EBEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)nn1 ZINC001105262029 821652839 /nfs/dbraw/zinc/65/28/39/821652839.db2.gz BDWSXGGAALZNDW-KRWDZBQOSA-N 2 2 340.431 -0.128 20 30 EBEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)nn1 ZINC001105262029 821652844 /nfs/dbraw/zinc/65/28/44/821652844.db2.gz BDWSXGGAALZNDW-KRWDZBQOSA-N 2 2 340.431 -0.128 20 30 EBEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001105342633 821705507 /nfs/dbraw/zinc/70/55/07/821705507.db2.gz OMHTUQLDTMYIGT-UHFFFAOYSA-N 2 2 346.435 -0.503 20 30 EBEDLP C#CC[NH2+]Cc1cn(C2CN(C(=O)C3CC[NH+](CC#C)CC3)C2)nn1 ZINC001105377210 821732189 /nfs/dbraw/zinc/73/21/89/821732189.db2.gz UTHWPGNGAVACRM-UHFFFAOYSA-N 2 2 340.431 -0.271 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990478 821964416 /nfs/dbraw/zinc/96/44/16/821964416.db2.gz NXULIOYKSBTLBK-HNNXBMFYSA-N 2 2 331.420 -0.088 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCn2cc[nH+]c2C)C1 ZINC001316990478 821964419 /nfs/dbraw/zinc/96/44/19/821964419.db2.gz NXULIOYKSBTLBK-HNNXBMFYSA-N 2 2 331.420 -0.088 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001317121237 822009871 /nfs/dbraw/zinc/00/98/71/822009871.db2.gz BWCKEYCJZDMHFC-SDDRHHMPSA-N 2 2 348.407 -0.411 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001317303215 822074650 /nfs/dbraw/zinc/07/46/50/822074650.db2.gz TUCNNOPJVKZEDE-ZDUSSCGKSA-N 2 2 325.372 -0.112 20 30 EBEDLP C[C@@H]1CN(C(=O)CCc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106061856 822118619 /nfs/dbraw/zinc/11/86/19/822118619.db2.gz MVRFKUNIOSHGFI-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512305 822139388 /nfs/dbraw/zinc/13/93/88/822139388.db2.gz JJRBZVBSYSNMJR-KBPBESRZSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)Cc1c[nH+]cn1C ZINC001317512305 822139393 /nfs/dbraw/zinc/13/93/93/822139393.db2.gz JJRBZVBSYSNMJR-KBPBESRZSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@@H+](C)C1)CC2 ZINC001128067327 828409346 /nfs/dbraw/zinc/40/93/46/828409346.db2.gz XKGGBXRJYSGMIX-KBPBESRZSA-N 2 2 330.436 -0.226 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)CC2 ZINC001128067327 828409351 /nfs/dbraw/zinc/40/93/51/828409351.db2.gz XKGGBXRJYSGMIX-KBPBESRZSA-N 2 2 330.436 -0.226 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001317787605 822212425 /nfs/dbraw/zinc/21/24/25/822212425.db2.gz FZDOUWZWEFMHEJ-CVEARBPZSA-N 2 2 345.447 -0.448 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001317787605 822212429 /nfs/dbraw/zinc/21/24/29/822212429.db2.gz FZDOUWZWEFMHEJ-CVEARBPZSA-N 2 2 345.447 -0.448 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001317787605 822212434 /nfs/dbraw/zinc/21/24/34/822212434.db2.gz FZDOUWZWEFMHEJ-CVEARBPZSA-N 2 2 345.447 -0.448 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC(=O)NCC#N)C1 ZINC001317787605 822212438 /nfs/dbraw/zinc/21/24/38/822212438.db2.gz FZDOUWZWEFMHEJ-CVEARBPZSA-N 2 2 345.447 -0.448 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC001317807850 822216235 /nfs/dbraw/zinc/21/62/35/822216235.db2.gz CATGNSIXQMPJSQ-CYBMUJFWSA-N 2 2 332.408 -0.271 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)NCC[C@@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001317807850 822216244 /nfs/dbraw/zinc/21/62/44/822216244.db2.gz CATGNSIXQMPJSQ-CYBMUJFWSA-N 2 2 332.408 -0.271 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001106274127 822239787 /nfs/dbraw/zinc/23/97/87/822239787.db2.gz CVHJSPALTQZYRZ-KBUPBQIOSA-N 2 2 343.431 -0.053 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C[C@H]1C ZINC001106274127 822239798 /nfs/dbraw/zinc/23/97/98/822239798.db2.gz CVHJSPALTQZYRZ-KBUPBQIOSA-N 2 2 343.431 -0.053 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829541 828537413 /nfs/dbraw/zinc/53/74/13/828537413.db2.gz FVIMXCSTDVDEBO-OAGGEKHMSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)[C@@H](n2ccnn2)C1 ZINC001128829541 828537421 /nfs/dbraw/zinc/53/74/21/828537421.db2.gz FVIMXCSTDVDEBO-OAGGEKHMSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829541 828537422 /nfs/dbraw/zinc/53/74/22/828537422.db2.gz FVIMXCSTDVDEBO-OAGGEKHMSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C)[C@@H](n2ccnn2)C1 ZINC001128829541 828537429 /nfs/dbraw/zinc/53/74/29/828537429.db2.gz FVIMXCSTDVDEBO-OAGGEKHMSA-N 2 2 348.451 -0.084 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108834449 824443741 /nfs/dbraw/zinc/44/37/41/824443741.db2.gz ONLABFKRYWMPFJ-KKUMJFAQSA-N 2 2 329.404 -0.398 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cn1cc[nH+]c1)C2 ZINC001108834450 824443828 /nfs/dbraw/zinc/44/38/28/824443828.db2.gz ONLABFKRYWMPFJ-ZNMIVQPWSA-N 2 2 329.404 -0.398 20 30 EBEDLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C1CC1 ZINC001109401758 824535155 /nfs/dbraw/zinc/53/51/55/824535155.db2.gz DMCXXIPACSBJBX-HOSILWTGSA-N 2 2 333.436 -0.312 20 30 EBEDLP C[NH+](C)[C@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C1CC1 ZINC001109401758 824535158 /nfs/dbraw/zinc/53/51/58/824535158.db2.gz DMCXXIPACSBJBX-HOSILWTGSA-N 2 2 333.436 -0.312 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001129763023 828666145 /nfs/dbraw/zinc/66/61/45/828666145.db2.gz WNVXDUTVVFFVKN-ZDUSSCGKSA-N 2 2 332.408 -0.888 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc2n1CCOC2 ZINC001129763023 828666150 /nfs/dbraw/zinc/66/61/50/828666150.db2.gz WNVXDUTVVFFVKN-ZDUSSCGKSA-N 2 2 332.408 -0.888 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103276 824656527 /nfs/dbraw/zinc/65/65/27/824656527.db2.gz MHLXUAMUBROLRW-FZKCQIBNSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103276 824656535 /nfs/dbraw/zinc/65/65/35/824656535.db2.gz MHLXUAMUBROLRW-FZKCQIBNSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@@H+](C)C1)C2 ZINC001111275431 825041733 /nfs/dbraw/zinc/04/17/33/825041733.db2.gz WELFWKRCFDIBAB-FPCVCCKLSA-N 2 2 332.448 -0.201 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C2 ZINC001111275431 825041742 /nfs/dbraw/zinc/04/17/42/825041742.db2.gz WELFWKRCFDIBAB-FPCVCCKLSA-N 2 2 332.448 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275431 825041748 /nfs/dbraw/zinc/04/17/48/825041748.db2.gz WELFWKRCFDIBAB-FPCVCCKLSA-N 2 2 332.448 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001111275431 825041759 /nfs/dbraw/zinc/04/17/59/825041759.db2.gz WELFWKRCFDIBAB-FPCVCCKLSA-N 2 2 332.448 -0.201 20 30 EBEDLP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001111281518 825044391 /nfs/dbraw/zinc/04/43/91/825044391.db2.gz WABIXJJYYKCLDJ-YJNKXOJESA-N 2 2 333.436 -0.311 20 30 EBEDLP C[N@H+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH+]3CC(=O)NCC#N)C1 ZINC001111281518 825044394 /nfs/dbraw/zinc/04/43/94/825044394.db2.gz WABIXJJYYKCLDJ-YJNKXOJESA-N 2 2 333.436 -0.311 20 30 EBEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NCC#N)C1 ZINC001111281518 825044398 /nfs/dbraw/zinc/04/43/98/825044398.db2.gz WABIXJJYYKCLDJ-YJNKXOJESA-N 2 2 333.436 -0.311 20 30 EBEDLP C[NH+]1CC[C@@H](CC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[N@H+]3CC(=O)NCC#N)C1 ZINC001111281518 825044402 /nfs/dbraw/zinc/04/44/02/825044402.db2.gz WABIXJJYYKCLDJ-YJNKXOJESA-N 2 2 333.436 -0.311 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001111658859 825247855 /nfs/dbraw/zinc/24/78/55/825247855.db2.gz SDOSETRECSRAJW-MPGHIAIKSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001111658859 825247861 /nfs/dbraw/zinc/24/78/61/825247861.db2.gz SDOSETRECSRAJW-MPGHIAIKSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658859 825247865 /nfs/dbraw/zinc/24/78/65/825247865.db2.gz SDOSETRECSRAJW-MPGHIAIKSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001111658859 825247874 /nfs/dbraw/zinc/24/78/74/825247874.db2.gz SDOSETRECSRAJW-MPGHIAIKSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)C[NH+](CC)CC)n[nH]1 ZINC001130244684 828764784 /nfs/dbraw/zinc/76/47/84/828764784.db2.gz NLANRRFHODWKFL-KBPBESRZSA-N 2 2 348.451 -0.142 20 30 EBEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@@H+](C)C[C@@H](C)O1 ZINC001114453724 826253849 /nfs/dbraw/zinc/25/38/49/826253849.db2.gz OWTKTNAFZYMPMK-SSZWKKLZSA-N 2 2 336.436 -0.946 20 30 EBEDLP C=CCNC(=O)C[NH+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[N@H+](C)C[C@@H](C)O1 ZINC001114453724 826253855 /nfs/dbraw/zinc/25/38/55/826253855.db2.gz OWTKTNAFZYMPMK-SSZWKKLZSA-N 2 2 336.436 -0.946 20 30 EBEDLP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453724 826253857 /nfs/dbraw/zinc/25/38/57/826253857.db2.gz OWTKTNAFZYMPMK-SSZWKKLZSA-N 2 2 336.436 -0.946 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[NH+](C)C[C@@H](C)O1 ZINC001114453724 826253860 /nfs/dbraw/zinc/25/38/60/826253860.db2.gz OWTKTNAFZYMPMK-SSZWKKLZSA-N 2 2 336.436 -0.946 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCn1cc[nH+]c1 ZINC001114652725 826311347 /nfs/dbraw/zinc/31/13/47/826311347.db2.gz 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C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000361126938 380288537 /nfs/dbraw/zinc/28/85/37/380288537.db2.gz WWWDABVRGYHZAM-HNNXBMFYSA-N 2 2 338.452 -0.094 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362081868 380368473 /nfs/dbraw/zinc/36/84/73/380368473.db2.gz YJGYTINAILYEBM-HUUCEWRRSA-N 2 2 337.468 -0.044 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362081868 380368477 /nfs/dbraw/zinc/36/84/77/380368477.db2.gz YJGYTINAILYEBM-HUUCEWRRSA-N 2 2 337.468 -0.044 20 30 EBEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000329206134 381588140 /nfs/dbraw/zinc/58/81/40/381588140.db2.gz DSBSTUSWCHOVFU-PMPSAXMXSA-N 2 2 339.484 -0.059 20 30 EBEDLP C[C@@H]1C[C@H]([NH+]2CCOCC2)CN1C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000329206134 381588148 /nfs/dbraw/zinc/58/81/48/381588148.db2.gz DSBSTUSWCHOVFU-PMPSAXMXSA-N 2 2 339.484 -0.059 20 30 EBEDLP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000329831271 381696091 /nfs/dbraw/zinc/69/60/91/381696091.db2.gz KBGOLSLULDAKEL-QLFBSQMISA-N 2 2 327.473 -0.467 20 30 EBEDLP C[C@H](O)C[N@H+]1CCN(C(=O)NC[C@@H]2C[NH+](C)CCN2C)C[C@H]1C ZINC000329831271 381696105 /nfs/dbraw/zinc/69/61/05/381696105.db2.gz KBGOLSLULDAKEL-QLFBSQMISA-N 2 2 327.473 -0.467 20 30 EBEDLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)C[C@H]1C ZINC000329831271 381696113 /nfs/dbraw/zinc/69/61/13/381696113.db2.gz KBGOLSLULDAKEL-QLFBSQMISA-N 2 2 327.473 -0.467 20 30 EBEDLP C[C@H](O)C[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+](C)CCN2C)C[C@H]1C ZINC000329831271 381696122 /nfs/dbraw/zinc/69/61/22/381696122.db2.gz KBGOLSLULDAKEL-QLFBSQMISA-N 2 2 327.473 -0.467 20 30 EBEDLP C=CC[NH+]1CCC(NC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)CC1 ZINC000083720983 381921361 /nfs/dbraw/zinc/92/13/61/381921361.db2.gz QIMMGHUDFFPAAC-MRXNPFEDSA-N 2 2 340.468 -0.029 20 30 EBEDLP C=CCCn1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)nn1 ZINC000657366631 420922687 /nfs/dbraw/zinc/92/26/87/420922687.db2.gz INGDMVFDOOWHHC-OAHLLOKOSA-N 2 2 348.451 -0.123 20 30 EBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419882788 268219739 /nfs/dbraw/zinc/21/97/39/268219739.db2.gz MPLHDSZLFMZMCO-MRXNPFEDSA-N 2 2 341.415 -0.319 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC[NH+](CC[S@@](C)=O)CC2)CC1 ZINC000741139650 583069780 /nfs/dbraw/zinc/06/97/80/583069780.db2.gz CLOUIRLSMKBERU-JOCHJYFZSA-N 2 2 325.478 -0.146 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000748810216 583122943 /nfs/dbraw/zinc/12/29/43/583122943.db2.gz SIKGVLUMKDEKEW-KRWDZBQOSA-N 2 2 334.464 -0.440 20 30 EBEDLP COC(=O)C1(C#N)CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000821781527 583804141 /nfs/dbraw/zinc/80/41/41/583804141.db2.gz SXSJHWORNBOXRW-LBPRGKRZSA-N 2 2 336.392 -0.546 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000852760492 584215471 /nfs/dbraw/zinc/21/54/71/584215471.db2.gz GSLQKFBCOVPMPN-KRWDZBQOSA-N 2 2 336.480 -0.194 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[NH+]3CCC[C@@H]3CO2)CC1 ZINC000874382919 584482243 /nfs/dbraw/zinc/48/22/43/584482243.db2.gz NMFDCQHAPXPDAN-CVEARBPZSA-N 2 2 348.447 -0.867 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000874382919 584482245 /nfs/dbraw/zinc/48/22/45/584482245.db2.gz NMFDCQHAPXPDAN-CVEARBPZSA-N 2 2 348.447 -0.867 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCN(C(=O)[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000874382919 584482246 /nfs/dbraw/zinc/48/22/46/584482246.db2.gz NMFDCQHAPXPDAN-CVEARBPZSA-N 2 2 348.447 -0.867 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000879341580 584551185 /nfs/dbraw/zinc/55/11/85/584551185.db2.gz SOKBMCQDPZDPCG-QWHCGFSZSA-N 2 2 333.354 -0.134 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000879341580 584551188 /nfs/dbraw/zinc/55/11/88/584551188.db2.gz SOKBMCQDPZDPCG-QWHCGFSZSA-N 2 2 333.354 -0.134 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000884233887 584619768 /nfs/dbraw/zinc/61/97/68/584619768.db2.gz BPQUPCDIWWJENA-KBPBESRZSA-N 2 2 326.441 -0.425 20 30 EBEDLP C[NH+]=C(NCCNS(C)(=O)=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000261951558 649985410 /nfs/dbraw/zinc/98/54/10/649985410.db2.gz HNQTYWCIVMJBOA-STQMWFEESA-N 2 2 342.469 -0.109 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC000937778485 651920527 /nfs/dbraw/zinc/92/05/27/651920527.db2.gz OGELKMAWYAHLRT-JYJNAYRXSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC000937778485 651920531 /nfs/dbraw/zinc/92/05/31/651920531.db2.gz OGELKMAWYAHLRT-JYJNAYRXSA-N 2 2 348.447 -0.868 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC000937778485 651920535 /nfs/dbraw/zinc/92/05/35/651920535.db2.gz OGELKMAWYAHLRT-JYJNAYRXSA-N 2 2 348.447 -0.868 20 30 EBEDLP 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C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1 ZINC001127774356 828325032 /nfs/dbraw/zinc/32/50/32/828325032.db2.gz YSJABZMYDRFVJK-SWLSCSKDSA-N 2 2 346.435 -0.366 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)c1cc([C@H]2CCC[N@H+]2C)n[nH]1 ZINC001127774356 828325039 /nfs/dbraw/zinc/32/50/39/828325039.db2.gz YSJABZMYDRFVJK-SWLSCSKDSA-N 2 2 346.435 -0.366 20 30 EBEDLP Cn1c[nH+]cc1[C@@H]1CN(C(=O)COCC[NH+](C)C)C[C@H]1NCC#N ZINC001131107836 829045208 /nfs/dbraw/zinc/04/52/08/829045208.db2.gz BPLRLXFENVQGQG-ZIAGYGMSSA-N 2 2 334.424 -0.594 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001185585868 833362245 /nfs/dbraw/zinc/36/22/45/833362245.db2.gz BLCFWXSPAGYXLE-CHWSQXEVSA-N 2 2 329.404 -0.231 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001131821545 829227872 /nfs/dbraw/zinc/22/78/72/829227872.db2.gz BOHYUXDHJSIACX-CABCVRRESA-N 2 2 338.452 -0.669 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1CCCC 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/nfs/dbraw/zinc/43/34/14/837433414.db2.gz IQBNMWXNQBIYFX-RBSFLKMASA-N 2 2 335.452 -0.063 20 30 EBEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001211366670 837433415 /nfs/dbraw/zinc/43/34/15/837433415.db2.gz IQBNMWXNQBIYFX-RBSFLKMASA-N 2 2 335.452 -0.063 20 30 EBEDLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001211366670 837433416 /nfs/dbraw/zinc/43/34/16/837433416.db2.gz IQBNMWXNQBIYFX-RBSFLKMASA-N 2 2 335.452 -0.063 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147428308 830341617 /nfs/dbraw/zinc/34/16/17/830341617.db2.gz PNIXDFVXTMROTI-UHFFFAOYSA-N 2 2 329.404 -0.374 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCC2(CN(C(=O)CCc3[nH]cc[nH+]3)C2)C1 ZINC001147428308 830341622 /nfs/dbraw/zinc/34/16/22/830341622.db2.gz PNIXDFVXTMROTI-UHFFFAOYSA-N 2 2 329.404 -0.374 20 30 EBEDLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@H+](CC(=O)NCC#N)CCCO1 ZINC001150195081 830836502 /nfs/dbraw/zinc/83/65/02/830836502.db2.gz XNTLRXAGXORRPX-AWEZNQCLSA-N 2 2 339.440 -0.825 20 30 EBEDLP C[NH+](C)CCCC(=O)NC[C@H]1C[N@@H+](CC(=O)NCC#N)CCCO1 ZINC001150195081 830836508 /nfs/dbraw/zinc/83/65/08/830836508.db2.gz XNTLRXAGXORRPX-AWEZNQCLSA-N 2 2 339.440 -0.825 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)CC[N@@H+](C)CC)C1 ZINC001150547240 830930833 /nfs/dbraw/zinc/93/08/33/830930833.db2.gz PSLWBFFLLFIMQX-OAHLLOKOSA-N 2 2 338.452 -0.715 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)CC[N@H+](C)CC)C1 ZINC001150547240 830930837 /nfs/dbraw/zinc/93/08/37/830930837.db2.gz PSLWBFFLLFIMQX-OAHLLOKOSA-N 2 2 338.452 -0.715 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547240 830930840 /nfs/dbraw/zinc/93/08/40/830930840.db2.gz PSLWBFFLLFIMQX-OAHLLOKOSA-N 2 2 338.452 -0.715 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)CC[NH+](C)CC)C1 ZINC001150547240 830930844 /nfs/dbraw/zinc/93/08/44/830930844.db2.gz PSLWBFFLLFIMQX-OAHLLOKOSA-N 2 2 338.452 -0.715 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC001150619911 830946171 /nfs/dbraw/zinc/94/61/71/830946171.db2.gz HLIWPMNDUZSGCA-HNNXBMFYSA-N 2 2 340.468 -0.163 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)C[N@H+](C)CCC)C1 ZINC001150619911 830946176 /nfs/dbraw/zinc/94/61/76/830946176.db2.gz HLIWPMNDUZSGCA-HNNXBMFYSA-N 2 2 340.468 -0.163 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150619911 830946182 /nfs/dbraw/zinc/94/61/82/830946182.db2.gz HLIWPMNDUZSGCA-HNNXBMFYSA-N 2 2 340.468 -0.163 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)C[NH+](C)CCC)C1 ZINC001150619911 830946189 /nfs/dbraw/zinc/94/61/89/830946189.db2.gz HLIWPMNDUZSGCA-HNNXBMFYSA-N 2 2 340.468 -0.163 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@@H+]1CCc2sccc2C1 ZINC001152202605 831141166 /nfs/dbraw/zinc/14/11/66/831141166.db2.gz OJDMGFNCWRKNGY-ZDUSSCGKSA-N 2 2 348.472 -0.050 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)C[N@H+]1CCc2sccc2C1 ZINC001152202605 831141169 /nfs/dbraw/zinc/14/11/69/831141169.db2.gz OJDMGFNCWRKNGY-ZDUSSCGKSA-N 2 2 348.472 -0.050 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nnnn2C(C)(C)C)CC1 ZINC001152334352 831152817 /nfs/dbraw/zinc/15/28/17/831152817.db2.gz BLWQICMUHNVEHU-UHFFFAOYSA-N 2 2 347.467 -0.021 20 30 EBEDLP C[N@@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001158507062 831662074 /nfs/dbraw/zinc/66/20/74/831662074.db2.gz PAQWVQUVZPHTKM-CQSZACIVSA-N 2 2 347.423 -0.474 20 30 EBEDLP C[N@H+]1CCC[C@@H]1c1cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)[nH]n1 ZINC001158507062 831662075 /nfs/dbraw/zinc/66/20/75/831662075.db2.gz PAQWVQUVZPHTKM-CQSZACIVSA-N 2 2 347.423 -0.474 20 30 EBEDLP C#C[C@](C)([NH3+])C(=O)N1CC[C@H]([NH+]2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001159075260 831706341 /nfs/dbraw/zinc/70/63/41/831706341.db2.gz FLCULKMOTORULG-JQFCIGGWSA-N 2 2 337.420 -0.408 20 30 EBEDLP C=CCOCc1nn(C)c2c1CN(C(=O)[C@]13C[NH2+]C[C@@H]1CC[NH2+]3)CC2 ZINC001159382023 831748659 /nfs/dbraw/zinc/74/86/59/831748659.db2.gz LEYMGYVCODPIPA-UGSOOPFHSA-N 2 2 345.447 -0.041 20 30 EBEDLP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@@H+]2C ZINC001159608865 831766371 /nfs/dbraw/zinc/76/63/71/831766371.db2.gz DBZUXDAIGCFPSK-KRWDZBQOSA-N 3 2 349.479 -0.966 20 30 EBEDLP C#C[C@](C)([NH3+])C(=O)N1CCC2(CC1)C(=O)N(CC[NH+](C)C)CC[N@H+]2C ZINC001159608865 831766376 /nfs/dbraw/zinc/76/63/76/831766376.db2.gz DBZUXDAIGCFPSK-KRWDZBQOSA-N 3 2 349.479 -0.966 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1CCC ZINC001160209204 831825252 /nfs/dbraw/zinc/82/52/52/831825252.db2.gz CWFVINSBSJVDGL-AWEZNQCLSA-N 2 2 333.440 -0.223 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1CCC ZINC001160209204 831825258 /nfs/dbraw/zinc/82/52/58/831825258.db2.gz CWFVINSBSJVDGL-AWEZNQCLSA-N 2 2 333.440 -0.223 20 30 EBEDLP Cn1cc[nH+]c1CCC(=O)NCCC1(C[NH2+]CC(=O)NCC#N)CC1 ZINC001166322391 832256341 /nfs/dbraw/zinc/25/63/41/832256341.db2.gz CFOGQUKFPWBLEG-UHFFFAOYSA-N 2 2 346.435 -0.131 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCc2[nH+]ccn2C)CC1 ZINC001166322552 832256533 /nfs/dbraw/zinc/25/65/33/832256533.db2.gz JLRGQPWYCQQXHV-UHFFFAOYSA-N 2 2 345.447 -0.022 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406496 837674898 /nfs/dbraw/zinc/67/48/98/837674898.db2.gz VJZBJTJLFJLDPD-BZUAXINKSA-N 2 2 333.436 -0.348 20 30 EBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@@H](Cn2cccn2)[NH+](C)C)[C@H](OC)C1 ZINC001212406496 837674900 /nfs/dbraw/zinc/67/49/00/837674900.db2.gz VJZBJTJLFJLDPD-BZUAXINKSA-N 2 2 333.436 -0.348 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)C1 ZINC001188346359 834036072 /nfs/dbraw/zinc/03/60/72/834036072.db2.gz KCOATWVDCBTWHV-HUUCEWRRSA-N 2 2 331.420 -0.008 20 30 EBEDLP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)C1 ZINC001190888814 834364231 /nfs/dbraw/zinc/36/42/31/834364231.db2.gz FXWPRIGJCMNYOB-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCNC(=O)C[NH+](C)[C@H]1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)C1 ZINC001190888814 834364243 /nfs/dbraw/zinc/36/42/43/834364243.db2.gz FXWPRIGJCMNYOB-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCNC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190888814 834364254 /nfs/dbraw/zinc/36/42/54/834364254.db2.gz FXWPRIGJCMNYOB-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCNC(=O)C[N@H+](C)[C@H]1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)C1 ZINC001190888814 834364266 /nfs/dbraw/zinc/36/42/66/834364266.db2.gz FXWPRIGJCMNYOB-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462839 834881342 /nfs/dbraw/zinc/88/13/42/834881342.db2.gz QJKAUAJSIRIGQI-KGLIPLIRSA-N 2 2 331.420 -0.367 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001193462839 834881352 /nfs/dbraw/zinc/88/13/52/834881352.db2.gz QJKAUAJSIRIGQI-KGLIPLIRSA-N 2 2 331.420 -0.367 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449467 835105546 /nfs/dbraw/zinc/10/55/46/835105546.db2.gz TYUJWPLOLGWOOU-CYBMUJFWSA-N 2 2 348.407 -0.572 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449467 835105549 /nfs/dbraw/zinc/10/55/49/835105549.db2.gz TYUJWPLOLGWOOU-CYBMUJFWSA-N 2 2 348.407 -0.572 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001195842878 835297121 /nfs/dbraw/zinc/29/71/21/835297121.db2.gz UZXQYDRTOZUIHA-ARFHVFGLSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001195842878 835297128 /nfs/dbraw/zinc/29/71/28/835297128.db2.gz UZXQYDRTOZUIHA-ARFHVFGLSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195842878 835297139 /nfs/dbraw/zinc/29/71/39/835297139.db2.gz UZXQYDRTOZUIHA-ARFHVFGLSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001195842878 835297148 /nfs/dbraw/zinc/29/71/48/835297148.db2.gz UZXQYDRTOZUIHA-ARFHVFGLSA-N 2 2 349.435 -0.416 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196515766 835427374 /nfs/dbraw/zinc/42/73/74/835427374.db2.gz OHNOMGMCEFYJFP-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC001196515766 835427377 /nfs/dbraw/zinc/42/73/77/835427377.db2.gz OHNOMGMCEFYJFP-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926017 835622576 /nfs/dbraw/zinc/62/25/76/835622576.db2.gz BONVRNOUTOHOIM-RRFJBIMHSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197926017 835622578 /nfs/dbraw/zinc/62/25/78/835622578.db2.gz BONVRNOUTOHOIM-RRFJBIMHSA-N 2 2 340.468 -0.430 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201102789 836093588 /nfs/dbraw/zinc/09/35/88/836093588.db2.gz AKCKGNRZJWRHSB-CQSZACIVSA-N 2 2 348.407 -0.880 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CCN(C(=O)Cc2c[nH+]ccc2OC)CC1 ZINC001201224108 836112695 /nfs/dbraw/zinc/11/26/95/836112695.db2.gz MCHBAYVDQQYHHL-UHFFFAOYSA-N 2 2 344.415 -0.037 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CCN(C(=O)[C@H]2CCn3cc[nH+]c3C2)CC1 ZINC001201321483 836129532 /nfs/dbraw/zinc/12/95/32/836129532.db2.gz MZSULBVTWPSBGM-AWEZNQCLSA-N 2 2 343.431 -0.225 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726630 836184134 /nfs/dbraw/zinc/18/41/34/836184134.db2.gz LHWQOABXSVUINW-KGLIPLIRSA-N 2 2 347.419 -0.703 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CCCO1 ZINC001201726631 836184408 /nfs/dbraw/zinc/18/44/08/836184408.db2.gz LHWQOABXSVUINW-UONOGXRCSA-N 2 2 347.419 -0.703 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1C[C@H](NC(=O)CCn2cc[nH+]c2)C12CCC2 ZINC001203242292 836410864 /nfs/dbraw/zinc/41/08/64/836410864.db2.gz VSFSEBVMMIQTFR-KGLIPLIRSA-N 2 2 344.419 -0.070 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)C12CCC2 ZINC001203441865 836432398 /nfs/dbraw/zinc/43/23/98/836432398.db2.gz HDJVIEJUNOPLOA-QWHCGFSZSA-N 2 2 330.392 -0.391 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C12CCC2 ZINC001203649511 836458033 /nfs/dbraw/zinc/45/80/33/836458033.db2.gz BQOIHVLHRSEINH-KGLIPLIRSA-N 2 2 344.419 -0.083 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001208448155 837043156 /nfs/dbraw/zinc/04/31/56/837043156.db2.gz VZCBSKFLODOEEI-HUUCEWRRSA-N 2 2 343.431 -0.225 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001208450162 837045078 /nfs/dbraw/zinc/04/50/78/837045078.db2.gz BAOHOVPVYSJDKU-KGLIPLIRSA-N 2 2 344.419 -0.334 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001210667922 837316523 /nfs/dbraw/zinc/31/65/23/837316523.db2.gz JQTWFZPVXLODOB-ZIAGYGMSSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](OC)C1 ZINC001213753161 837857621 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C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001070403125 740809066 /nfs/dbraw/zinc/80/90/66/740809066.db2.gz LDPQZPHLAQFYDQ-UKRRQHHQSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001070403125 740809069 /nfs/dbraw/zinc/80/90/69/740809069.db2.gz LDPQZPHLAQFYDQ-UKRRQHHQSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403125 740809072 /nfs/dbraw/zinc/80/90/72/740809072.db2.gz LDPQZPHLAQFYDQ-UKRRQHHQSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001070403125 740809075 /nfs/dbraw/zinc/80/90/75/740809075.db2.gz LDPQZPHLAQFYDQ-UKRRQHHQSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)N(C)C)C2 ZINC001072822356 741493834 /nfs/dbraw/zinc/49/38/34/741493834.db2.gz CQVWPFYLMYYMCV-HNNXBMFYSA-N 2 2 332.448 -0.294 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)N(C)C)C2 ZINC001072822356 741493837 /nfs/dbraw/zinc/49/38/37/741493837.db2.gz CQVWPFYLMYYMCV-HNNXBMFYSA-N 2 2 332.448 -0.294 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)C2 ZINC001072822356 741493838 /nfs/dbraw/zinc/49/38/38/741493838.db2.gz CQVWPFYLMYYMCV-HNNXBMFYSA-N 2 2 332.448 -0.294 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)N(C)C)C2 ZINC001072822356 741493841 /nfs/dbraw/zinc/49/38/41/741493841.db2.gz CQVWPFYLMYYMCV-HNNXBMFYSA-N 2 2 332.448 -0.294 20 30 EBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@H+]3C)n[nH]2)C1 ZINC001077034351 742705951 /nfs/dbraw/zinc/70/59/51/742705951.db2.gz UMPKTNOLFLXFMR-OWCLPIDISA-N 2 2 331.420 -0.025 20 30 EBEDLP C#CCC[NH+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[N@@H+]3C)n[nH]2)C1 ZINC001077034351 742705957 /nfs/dbraw/zinc/70/59/57/742705957.db2.gz UMPKTNOLFLXFMR-OWCLPIDISA-N 2 2 331.420 -0.025 20 30 EBEDLP C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034351 742705962 /nfs/dbraw/zinc/70/59/62/742705962.db2.gz UMPKTNOLFLXFMR-OWCLPIDISA-N 2 2 331.420 -0.025 20 30 EBEDLP C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2cc([C@@H]3CCC[NH+]3C)n[nH]2)C1 ZINC001077034351 742705968 /nfs/dbraw/zinc/70/59/68/742705968.db2.gz UMPKTNOLFLXFMR-OWCLPIDISA-N 2 2 331.420 -0.025 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001215268908 810318771 /nfs/dbraw/zinc/31/87/71/810318771.db2.gz CNUHZEDAWGMDBW-RBSFLKMASA-N 2 2 331.420 -0.152 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216319 811019654 /nfs/dbraw/zinc/01/96/54/811019654.db2.gz CZOGWLISTPOFRF-PMPSAXMXSA-N 2 2 341.452 -0.541 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216319 811019663 /nfs/dbraw/zinc/01/96/63/811019663.db2.gz CZOGWLISTPOFRF-PMPSAXMXSA-N 2 2 341.452 -0.541 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216319 811019672 /nfs/dbraw/zinc/01/96/72/811019672.db2.gz CZOGWLISTPOFRF-PMPSAXMXSA-N 2 2 341.452 -0.541 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](O)C1 ZINC001220216319 811019678 /nfs/dbraw/zinc/01/96/78/811019678.db2.gz CZOGWLISTPOFRF-PMPSAXMXSA-N 2 2 341.452 -0.541 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220272213 811042428 /nfs/dbraw/zinc/04/24/28/811042428.db2.gz UZXQYDRTOZUIHA-XHSDSOJGSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@@H](O)C1 ZINC001220272213 811042432 /nfs/dbraw/zinc/04/24/32/811042432.db2.gz UZXQYDRTOZUIHA-XHSDSOJGSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220272213 811042438 /nfs/dbraw/zinc/04/24/38/811042438.db2.gz UZXQYDRTOZUIHA-XHSDSOJGSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@@H](O)C1 ZINC001220272213 811042444 /nfs/dbraw/zinc/04/24/44/811042444.db2.gz UZXQYDRTOZUIHA-XHSDSOJGSA-N 2 2 349.435 -0.416 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)C1=O ZINC001220582932 811164117 /nfs/dbraw/zinc/16/41/17/811164117.db2.gz LHYFASMEGBLKJM-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C2)C1=O ZINC001220582932 811164122 /nfs/dbraw/zinc/16/41/22/811164122.db2.gz LHYFASMEGBLKJM-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689433 811204503 /nfs/dbraw/zinc/20/45/03/811204503.db2.gz GSBOVPKXGUMPTD-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689433 811204508 /nfs/dbraw/zinc/20/45/08/811204508.db2.gz GSBOVPKXGUMPTD-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689433 811204514 /nfs/dbraw/zinc/20/45/14/811204514.db2.gz GSBOVPKXGUMPTD-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689433 811204520 /nfs/dbraw/zinc/20/45/20/811204520.db2.gz GSBOVPKXGUMPTD-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C2)C1=O ZINC001220688992 811205116 /nfs/dbraw/zinc/20/51/16/811205116.db2.gz YZIBSBNYUYYUSB-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C2)C1=O ZINC001220688992 811205121 /nfs/dbraw/zinc/20/51/21/811205121.db2.gz YZIBSBNYUYYUSB-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1=O ZINC001220688992 811205127 /nfs/dbraw/zinc/20/51/27/811205127.db2.gz YZIBSBNYUYYUSB-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C2)C1=O ZINC001220688992 811205135 /nfs/dbraw/zinc/20/51/35/811205135.db2.gz YZIBSBNYUYYUSB-ILXRZTDVSA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089903 811372333 /nfs/dbraw/zinc/37/23/33/811372333.db2.gz SUMYSTKIGQZPMD-ILXRZTDVSA-N 2 2 338.452 -0.725 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089903 811372346 /nfs/dbraw/zinc/37/23/46/811372346.db2.gz SUMYSTKIGQZPMD-ILXRZTDVSA-N 2 2 338.452 -0.725 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089903 811372357 /nfs/dbraw/zinc/37/23/57/811372357.db2.gz SUMYSTKIGQZPMD-ILXRZTDVSA-N 2 2 338.452 -0.725 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089903 811372362 /nfs/dbraw/zinc/37/23/62/811372362.db2.gz SUMYSTKIGQZPMD-ILXRZTDVSA-N 2 2 338.452 -0.725 20 30 EBEDLP CC[N@@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CC#CCOC)C[C@H]32)C1 ZINC001222035019 811585461 /nfs/dbraw/zinc/58/54/61/811585461.db2.gz RSAWJDCDMIHIEA-ZACQAIPSSA-N 2 2 335.448 -0.110 20 30 EBEDLP CC[N@H+]1CCO[C@H](C(=O)N2C[C@H]3CC[NH+](CC#CCOC)C[C@H]32)C1 ZINC001222035019 811585471 /nfs/dbraw/zinc/58/54/71/811585471.db2.gz RSAWJDCDMIHIEA-ZACQAIPSSA-N 2 2 335.448 -0.110 20 30 EBEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@H+](CC#CCOC)C[C@H]32)C1 ZINC001222035019 811585478 /nfs/dbraw/zinc/58/54/78/811585478.db2.gz RSAWJDCDMIHIEA-ZACQAIPSSA-N 2 2 335.448 -0.110 20 30 EBEDLP CC[NH+]1CCO[C@H](C(=O)N2C[C@H]3CC[N@@H+](CC#CCOC)C[C@H]32)C1 ZINC001222035019 811585481 /nfs/dbraw/zinc/58/54/81/811585481.db2.gz RSAWJDCDMIHIEA-ZACQAIPSSA-N 2 2 335.448 -0.110 20 30 EBEDLP N#CCNC(=O)C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001228156900 811966132 /nfs/dbraw/zinc/96/61/32/811966132.db2.gz WZBNDIOKQXOZOL-UHFFFAOYSA-N 2 2 333.436 -0.165 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)Cc2c[nH+]cn2C)CC1 ZINC001230035338 812071549 /nfs/dbraw/zinc/07/15/49/812071549.db2.gz SSDDYPBVYNJJKX-ZDUSSCGKSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001263850491 813128014 /nfs/dbraw/zinc/12/80/14/813128014.db2.gz QMRFYYHSGLWGBI-SOUVJXGZSA-N 2 2 345.447 -0.025 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265360779 813312001 /nfs/dbraw/zinc/31/20/01/813312001.db2.gz SEPMNZHRVHFXBH-CABCVRRESA-N 2 2 343.431 -0.321 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266218306 813480331 /nfs/dbraw/zinc/48/03/31/813480331.db2.gz OIRTUOYEBXOZGO-CABCVRRESA-N 2 2 333.436 -0.451 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001266218306 813480341 /nfs/dbraw/zinc/48/03/41/813480341.db2.gz OIRTUOYEBXOZGO-CABCVRRESA-N 2 2 333.436 -0.451 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001266826202 813678680 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338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774636 834940588 /nfs/dbraw/zinc/94/05/88/834940588.db2.gz RNSFZJRDJYTLIM-BFHYXJOUSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774637 834940898 /nfs/dbraw/zinc/94/08/98/834940898.db2.gz RNSFZJRDJYTLIM-MGPQQGTHSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001193774637 834940905 /nfs/dbraw/zinc/94/09/05/834940905.db2.gz RNSFZJRDJYTLIM-MGPQQGTHSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805295 834949268 /nfs/dbraw/zinc/94/92/68/834949268.db2.gz KTVPODLOJBEJPM-NWANDNLSSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)C2CCC2)C1 ZINC001193805295 834949277 /nfs/dbraw/zinc/94/92/77/834949277.db2.gz KTVPODLOJBEJPM-NWANDNLSSA-N 2 2 338.452 -0.677 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C[NH+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001188819007 834100582 /nfs/dbraw/zinc/10/05/82/834100582.db2.gz PXYBCALJIHAOBE-SOUVJXGZSA-N 2 2 333.436 -0.357 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177353 834239297 /nfs/dbraw/zinc/23/92/97/834239297.db2.gz KRDUBEUPMNVMHK-LSDHHAIUSA-N 2 2 329.404 -0.526 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001190177353 834239303 /nfs/dbraw/zinc/23/93/03/834239303.db2.gz KRDUBEUPMNVMHK-LSDHHAIUSA-N 2 2 329.404 -0.526 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374746 837759233 /nfs/dbraw/zinc/75/92/33/837759233.db2.gz VPEXANMGRRIPMX-BFHYXJOUSA-N 2 2 326.441 -0.556 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C1 ZINC001213374746 837759238 /nfs/dbraw/zinc/75/92/38/837759238.db2.gz VPEXANMGRRIPMX-BFHYXJOUSA-N 2 2 326.441 -0.556 20 30 EBEDLP 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C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011314155 727513420 /nfs/dbraw/zinc/51/34/20/727513420.db2.gz FYXYFBLLDCQYOG-INIZCTEOSA-N 2 2 343.431 -0.269 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001011314155 727513421 /nfs/dbraw/zinc/51/34/21/727513421.db2.gz FYXYFBLLDCQYOG-INIZCTEOSA-N 2 2 343.431 -0.269 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CCC2=O)C1 ZINC001014780615 728008354 /nfs/dbraw/zinc/00/83/54/728008354.db2.gz TZGLLHCRBBRGHT-GJZGRUSLSA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC001014780615 728008357 /nfs/dbraw/zinc/00/83/57/728008357.db2.gz TZGLLHCRBBRGHT-GJZGRUSLSA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001014780615 728008360 /nfs/dbraw/zinc/00/83/60/728008360.db2.gz TZGLLHCRBBRGHT-GJZGRUSLSA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCN2C(=O)CCC2=O)C1 ZINC001014780615 728008362 /nfs/dbraw/zinc/00/83/62/728008362.db2.gz TZGLLHCRBBRGHT-GJZGRUSLSA-N 2 2 346.431 -0.577 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](CCS(C)(=O)=O)C1 ZINC001028600922 730320722 /nfs/dbraw/zinc/32/07/22/730320722.db2.gz FUDAAUFGJVPIKW-GJZGRUSLSA-N 2 2 341.477 -0.433 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCS(C)(=O)=O)C1 ZINC001028600922 730320724 /nfs/dbraw/zinc/32/07/24/730320724.db2.gz FUDAAUFGJVPIKW-GJZGRUSLSA-N 2 2 341.477 -0.433 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCS(C)(=O)=O)C1 ZINC001028600922 730320726 /nfs/dbraw/zinc/32/07/26/730320726.db2.gz FUDAAUFGJVPIKW-GJZGRUSLSA-N 2 2 341.477 -0.433 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCS(C)(=O)=O)C1 ZINC001028600922 730320729 /nfs/dbraw/zinc/32/07/29/730320729.db2.gz FUDAAUFGJVPIKW-GJZGRUSLSA-N 2 2 341.477 -0.433 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034962709 731168989 /nfs/dbraw/zinc/16/89/89/731168989.db2.gz MNXAKEHXLXQFBZ-CVEARBPZSA-N 2 2 330.436 -0.007 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC001034962709 731168990 /nfs/dbraw/zinc/16/89/90/731168990.db2.gz MNXAKEHXLXQFBZ-CVEARBPZSA-N 2 2 330.436 -0.007 20 30 EBEDLP CC#CC[N@@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013969 733802685 /nfs/dbraw/zinc/80/26/85/733802685.db2.gz NSOVVMLUCPTUCI-IAGOWNOFSA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[N@H+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[NH+](C)CCO3)CC2)C1 ZINC001046013969 733802687 /nfs/dbraw/zinc/80/26/87/733802687.db2.gz NSOVVMLUCPTUCI-IAGOWNOFSA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)CC2)C1 ZINC001046013969 733802690 /nfs/dbraw/zinc/80/26/90/733802690.db2.gz NSOVVMLUCPTUCI-IAGOWNOFSA-N 2 2 334.464 -0.441 20 30 EBEDLP CC#CC[NH+]1CC[C@@H](N2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)CC2)C1 ZINC001046013969 733802693 /nfs/dbraw/zinc/80/26/93/733802693.db2.gz 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KSCQSFOPEOFDHY-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3nncn3C)C[C@@H]2C1 ZINC001048868727 734546299 /nfs/dbraw/zinc/54/62/99/734546299.db2.gz KSCQSFOPEOFDHY-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)C[C@@H]2C1 ZINC001048868727 734546302 /nfs/dbraw/zinc/54/63/02/734546302.db2.gz KSCQSFOPEOFDHY-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3nncn3C)C[C@@H]2C1 ZINC001048868727 734546304 /nfs/dbraw/zinc/54/63/04/734546304.db2.gz KSCQSFOPEOFDHY-XHSDSOJGSA-N 2 2 342.447 -0.197 20 30 EBEDLP C[C@H](C#N)C(=O)NC1CC[NH+](CCNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001055601847 736401176 /nfs/dbraw/zinc/40/11/76/736401176.db2.gz FBADEZZSBKMBFN-CYBMUJFWSA-N 2 2 346.435 -0.181 20 30 EBEDLP C[C@H](C#N)C(=O)N1CC[NH+]([C@H]2CCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001065712559 739856401 /nfs/dbraw/zinc/85/64/01/739856401.db2.gz AKJSMEWPQLUDLC-CABCVRRESA-N 2 2 335.452 -0.157 20 30 EBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006501 740653744 /nfs/dbraw/zinc/65/37/44/740653744.db2.gz ZECSOZSWRCQZBV-OWCLPIDISA-N 2 2 348.451 -0.085 20 30 EBEDLP C=CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006501 740653748 /nfs/dbraw/zinc/65/37/48/740653748.db2.gz ZECSOZSWRCQZBV-OWCLPIDISA-N 2 2 348.451 -0.085 20 30 EBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006501 740653751 /nfs/dbraw/zinc/65/37/51/740653751.db2.gz ZECSOZSWRCQZBV-OWCLPIDISA-N 2 2 348.451 -0.085 20 30 EBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006501 740653754 /nfs/dbraw/zinc/65/37/54/740653754.db2.gz ZECSOZSWRCQZBV-OWCLPIDISA-N 2 2 348.451 -0.085 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1n1ccnn1 ZINC001070311240 740783990 /nfs/dbraw/zinc/78/39/90/740783990.db2.gz UIQQVIUTYSEAKK-OLZOCXBDSA-N 2 2 327.392 -0.046 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001221066205 811359597 /nfs/dbraw/zinc/35/95/97/811359597.db2.gz KUJFTYGHCLQDBW-SJORKVTESA-N 2 2 333.432 -0.857 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)CC1 ZINC001221066205 811359605 /nfs/dbraw/zinc/35/96/05/811359605.db2.gz KUJFTYGHCLQDBW-SJORKVTESA-N 2 2 333.432 -0.857 20 30 EBEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001221616391 811501123 /nfs/dbraw/zinc/50/11/23/811501123.db2.gz NBEORCCBBZIAMH-FMKPAKJESA-N 2 2 333.436 -0.501 20 30 EBEDLP C[NH+](C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21)C1CC1 ZINC001221616391 811501130 /nfs/dbraw/zinc/50/11/30/811501130.db2.gz NBEORCCBBZIAMH-FMKPAKJESA-N 2 2 333.436 -0.501 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225167999 811797695 /nfs/dbraw/zinc/79/76/95/811797695.db2.gz IVVDVRAIOVHJDU-UHFFFAOYSA-N 2 2 331.420 -0.460 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)CCc1[nH]cc[nH+]1 ZINC001225935843 811837710 /nfs/dbraw/zinc/83/77/10/811837710.db2.gz DYTNFCKLDDDDCA-CHWSQXEVSA-N 2 2 332.408 -0.001 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001227849636 811945919 /nfs/dbraw/zinc/94/59/19/811945919.db2.gz XEJBJJBCSGGDGJ-RDJZCZTQSA-N 2 2 344.459 -0.198 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001227849636 811945927 /nfs/dbraw/zinc/94/59/27/811945927.db2.gz XEJBJJBCSGGDGJ-RDJZCZTQSA-N 2 2 344.459 -0.198 20 30 EBEDLP N#Cc1ccc(-c2noc(CNC(=O)[C@@H]([NH3+])Cc3c[nH+]c[nH]3)n2)nc1 ZINC001247335892 812595899 /nfs/dbraw/zinc/59/58/99/812595899.db2.gz UHZJPCWUQLXVSY-NSHDSACASA-N 2 2 338.331 -0.087 20 30 EBEDLP C#CCOC[C@@H](O)CNc1cc(N2CC[NH+](CCO)CC2)nc(C)[nH+]1 ZINC001251827205 812633834 /nfs/dbraw/zinc/63/38/34/812633834.db2.gz YGJSYPUYXFWINO-HNNXBMFYSA-N 2 2 349.435 -0.678 20 30 EBEDLP NC(=O)NC1CC[NH+](CC#CC[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC001257269313 812758563 /nfs/dbraw/zinc/75/85/63/812758563.db2.gz 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C#CCC[NH+]1CC(N2C[C@@H](NC(=O)Cn3cc[nH+]c3C)CC2=O)C1 ZINC001094818054 818513570 /nfs/dbraw/zinc/51/35/70/818513570.db2.gz VWXVLRSXWOAHGO-AWEZNQCLSA-N 2 2 329.404 -0.384 20 30 EBEDLP COCC#CC[N@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001283363206 818777066 /nfs/dbraw/zinc/77/70/66/818777066.db2.gz LBXKOIRLIFAKRQ-OAHLLOKOSA-N 2 2 327.425 -0.969 20 30 EBEDLP COCC#CC[N@@H+](C)CCOCCNC(=O)[C@H]1C[NH+](C)CCO1 ZINC001283363206 818777069 /nfs/dbraw/zinc/77/70/69/818777069.db2.gz LBXKOIRLIFAKRQ-OAHLLOKOSA-N 2 2 327.425 -0.969 20 30 EBEDLP COCC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@H+](C)CCO1 ZINC001283363206 818777073 /nfs/dbraw/zinc/77/70/73/818777073.db2.gz LBXKOIRLIFAKRQ-OAHLLOKOSA-N 2 2 327.425 -0.969 20 30 EBEDLP COCC#CC[NH+](C)CCOCCNC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001283363206 818777081 /nfs/dbraw/zinc/77/70/81/818777081.db2.gz LBXKOIRLIFAKRQ-OAHLLOKOSA-N 2 2 327.425 -0.969 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H]3CC[C@@H]2[N@@H+]3CC(=O)NC)CC1 ZINC001096607716 818858079 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PESOXJIOTKFSKG-CVEARBPZSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001098766896 819358190 /nfs/dbraw/zinc/35/81/90/819358190.db2.gz HSFSBMZPSHYNCF-HNNXBMFYSA-N 2 2 328.420 -0.130 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879520 819822623 /nfs/dbraw/zinc/82/26/23/819822623.db2.gz LBAXUYOAKMLIOW-CABCVRRESA-N 2 2 338.452 -0.676 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001099879520 819822631 /nfs/dbraw/zinc/82/26/31/819822631.db2.gz LBAXUYOAKMLIOW-CABCVRRESA-N 2 2 338.452 -0.676 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879520 819822639 /nfs/dbraw/zinc/82/26/39/819822639.db2.gz LBAXUYOAKMLIOW-CABCVRRESA-N 2 2 338.452 -0.676 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001099879520 819822644 /nfs/dbraw/zinc/82/26/44/819822644.db2.gz LBAXUYOAKMLIOW-CABCVRRESA-N 2 2 338.452 -0.676 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080405 820178462 /nfs/dbraw/zinc/17/84/62/820178462.db2.gz IXMZPIMMPZDHPL-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001100080405 820178468 /nfs/dbraw/zinc/17/84/68/820178468.db2.gz IXMZPIMMPZDHPL-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2[nH]cc[nH+]2)C1 ZINC001100294030 820348591 /nfs/dbraw/zinc/34/85/91/820348591.db2.gz CSIFRKAGWPPGSJ-IYXRBSQSSA-N 2 2 331.420 -0.035 20 30 EBEDLP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001100458354 820429439 /nfs/dbraw/zinc/42/94/39/820429439.db2.gz YPJXBQHWDIYXQW-ROKHWSDSSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314653 821067800 /nfs/dbraw/zinc/06/78/00/821067800.db2.gz UBILZVFYVKTHTE-XPKDYRNWSA-N 2 2 331.420 -0.226 20 30 EBEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)[C@H](C)C1 ZINC001102314653 821067810 /nfs/dbraw/zinc/06/78/10/821067810.db2.gz UBILZVFYVKTHTE-XPKDYRNWSA-N 2 2 331.420 -0.226 20 30 EBEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314653 821067820 /nfs/dbraw/zinc/06/78/20/821067820.db2.gz UBILZVFYVKTHTE-XPKDYRNWSA-N 2 2 331.420 -0.226 20 30 EBEDLP C#CC[N@H+]1C[C@@H](CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)[C@H](C)C1 ZINC001102314653 821067830 /nfs/dbraw/zinc/06/78/30/821067830.db2.gz UBILZVFYVKTHTE-XPKDYRNWSA-N 2 2 331.420 -0.226 20 30 EBEDLP CN(CC[NH+]1CCN(c2nccnc2C#N)CC1)C(=O)CC[NH+](C)C ZINC001102422170 821104221 /nfs/dbraw/zinc/10/42/21/821104221.db2.gz BARMBOVRVXXLEV-UHFFFAOYSA-N 2 2 345.451 -0.120 20 30 EBEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC001105360993 821718785 /nfs/dbraw/zinc/71/87/85/821718785.db2.gz MOURNWMWPPMRJZ-UHFFFAOYSA-N 2 2 328.420 -0.130 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001316938224 821924951 /nfs/dbraw/zinc/92/49/51/821924951.db2.gz RCERJYORGKROKD-CQSZACIVSA-N 2 2 331.420 -0.056 20 30 EBEDLP COCC#CC[NH+]1CCN(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001316965850 821947753 /nfs/dbraw/zinc/94/77/53/821947753.db2.gz QTMKSCIYFZILOI-UHFFFAOYSA-N 2 2 348.491 -0.002 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1CCF ZINC001317255425 822050075 /nfs/dbraw/zinc/05/00/75/822050075.db2.gz JNVJVUNMOKFPKD-KGLIPLIRSA-N 2 2 336.415 -0.061 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ncnn1CCF ZINC001317255425 822050085 /nfs/dbraw/zinc/05/00/85/822050085.db2.gz JNVJVUNMOKFPKD-KGLIPLIRSA-N 2 2 336.415 -0.061 20 30 EBEDLP C#CCN1CC[NH+](CCN(C)C(=O)COC2CC[NH+](C)CC2)CC1 ZINC001317822980 822219414 /nfs/dbraw/zinc/21/94/14/822219414.db2.gz NXXZFAMMSAHRJL-UHFFFAOYSA-N 2 2 336.480 -0.194 20 30 EBEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065303 828566513 /nfs/dbraw/zinc/56/65/13/828566513.db2.gz UVUURHIVMOOYAG-OAGGEKHMSA-N 2 2 348.451 -0.390 20 30 EBEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1n1ccnn1)[NH+](C)C ZINC001129065303 828566514 /nfs/dbraw/zinc/56/65/14/828566514.db2.gz UVUURHIVMOOYAG-OAGGEKHMSA-N 2 2 348.451 -0.390 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001129771488 828667071 /nfs/dbraw/zinc/66/70/71/828667071.db2.gz YLPUFOQCMSCIIU-JSGCOSHPSA-N 2 2 331.424 -0.128 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+][C@@H](C)c1nnnn1C1CC1 ZINC001129771488 828667075 /nfs/dbraw/zinc/66/70/75/828667075.db2.gz YLPUFOQCMSCIIU-JSGCOSHPSA-N 2 2 331.424 -0.128 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980789 824637970 /nfs/dbraw/zinc/63/79/70/824637970.db2.gz ACXCPQZAGJXZMY-RDBSUJKOSA-N 2 2 331.420 -0.557 20 30 EBEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980789 824637973 /nfs/dbraw/zinc/63/79/73/824637973.db2.gz ACXCPQZAGJXZMY-RDBSUJKOSA-N 2 2 331.420 -0.557 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980826 824638430 /nfs/dbraw/zinc/63/84/30/824638430.db2.gz BQPBWAAHLHOBLQ-ILXRZTDVSA-N 2 2 330.432 -0.447 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001109980826 824638432 /nfs/dbraw/zinc/63/84/32/824638432.db2.gz BQPBWAAHLHOBLQ-ILXRZTDVSA-N 2 2 330.432 -0.447 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569328 824757016 /nfs/dbraw/zinc/75/70/16/824757016.db2.gz JYMFWTNMBLUNLC-VQHPVUNQSA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001110569328 824757019 /nfs/dbraw/zinc/75/70/19/824757019.db2.gz JYMFWTNMBLUNLC-VQHPVUNQSA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CCC[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1n1ccnn1 ZINC001130086015 828729575 /nfs/dbraw/zinc/72/95/75/828729575.db2.gz HQRQAMOQJRXRSF-CABCVRRESA-N 2 2 327.392 -0.381 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111808016 825319739 /nfs/dbraw/zinc/31/97/39/825319739.db2.gz SHBJGGANYDCWRJ-YOEHRIQHSA-N 2 2 344.419 -0.198 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111808016 825319747 /nfs/dbraw/zinc/31/97/47/825319747.db2.gz SHBJGGANYDCWRJ-YOEHRIQHSA-N 2 2 344.419 -0.198 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114975883 826388695 /nfs/dbraw/zinc/38/86/95/826388695.db2.gz RSQJVJCBTNFTSK-HALDLXJZSA-N 2 2 336.436 -0.943 20 30 EBEDLP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+]1CCOCC1 ZINC001114975883 826388699 /nfs/dbraw/zinc/38/86/99/826388699.db2.gz RSQJVJCBTNFTSK-HALDLXJZSA-N 2 2 336.436 -0.943 20 30 EBEDLP C#CC[NH2+]CC(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC001121983256 827495070 /nfs/dbraw/zinc/49/50/70/827495070.db2.gz IFGQYQPFYATTGO-UHFFFAOYSA-N 2 2 328.416 -0.087 20 30 EBEDLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@]1(C)C[NH2+]CC(=O)NCC#N ZINC001182760214 833256536 /nfs/dbraw/zinc/25/65/36/833256536.db2.gz VRVSCFKDGYPNDW-MLGOLLRUSA-N 2 2 332.408 -0.334 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001183765517 833305632 /nfs/dbraw/zinc/30/56/32/833305632.db2.gz UJGODIAQZUUHFL-QWHCGFSZSA-N 2 2 330.392 -0.724 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C ZINC001127547475 828301166 /nfs/dbraw/zinc/30/11/66/828301166.db2.gz LBZIXFAHLWPXLT-HUUCEWRRSA-N 2 2 343.431 -0.391 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cccc3[nH+]ccn32)C1 ZINC001184211503 833323136 /nfs/dbraw/zinc/32/31/36/833323136.db2.gz TUCNNOPJVKZEDE-CYBMUJFWSA-N 2 2 325.372 -0.112 20 30 EBEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1=O ZINC001130478272 828860509 /nfs/dbraw/zinc/86/05/09/828860509.db2.gz WXASPASIANQUNA-KGLIPLIRSA-N 2 2 331.420 -0.062 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1CCCC 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TXIQKFBEQHQOJR-TWMKSMIVSA-N 2 2 335.448 -0.234 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)COC ZINC001481380826 1125980460 /nfs/dbraw/zinc/98/04/60/1125980460.db2.gz TXIQKFBEQHQOJR-TWMKSMIVSA-N 2 2 335.448 -0.234 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COC ZINC001481380826 1125980461 /nfs/dbraw/zinc/98/04/61/1125980461.db2.gz TXIQKFBEQHQOJR-TWMKSMIVSA-N 2 2 335.448 -0.234 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)COC ZINC001481380826 1125980464 /nfs/dbraw/zinc/98/04/64/1125980464.db2.gz TXIQKFBEQHQOJR-TWMKSMIVSA-N 2 2 335.448 -0.234 20 30 EBEDLP CN(CC[NH+]1CCN(CC#N)CC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001481473414 1125999129 /nfs/dbraw/zinc/99/91/29/1125999129.db2.gz XVXACEJKXFXBDV-UHFFFAOYSA-N 2 2 347.467 -0.342 20 30 EBEDLP C[C@@H](CNC(=O)Cc1cn2c([nH+]1)CCCC2)C[NH2+]CC(=O)NCC#N ZINC001482102352 1126078237 /nfs/dbraw/zinc/07/82/37/1126078237.db2.gz KNDGXXKXRAJFRK-CYBMUJFWSA-N 2 2 346.435 -0.256 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)CC1 ZINC001670807390 1126136633 /nfs/dbraw/zinc/13/66/33/1126136633.db2.gz IHBLDNXZEKHKIR-ZIAGYGMSSA-N 2 2 343.431 -0.178 20 30 EBEDLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001484906840 1126652359 /nfs/dbraw/zinc/65/23/59/1126652359.db2.gz SFGZTWOKAIAWGE-NWDGAFQWSA-N 2 2 332.408 -0.236 20 30 EBEDLP C[C@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484906841 1126652518 /nfs/dbraw/zinc/65/25/18/1126652518.db2.gz SFGZTWOKAIAWGE-RYUDHWBXSA-N 2 2 332.408 -0.236 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001485037207 1126669090 /nfs/dbraw/zinc/66/90/90/1126669090.db2.gz FIVCPCGKVBDQNV-AWEZNQCLSA-N 2 2 332.408 -0.047 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)CCc1c[nH+]c[nH]1 ZINC001485037207 1126669092 /nfs/dbraw/zinc/66/90/92/1126669092.db2.gz FIVCPCGKVBDQNV-AWEZNQCLSA-N 2 2 332.408 -0.047 20 30 EBEDLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485501874 1126734300 /nfs/dbraw/zinc/73/43/00/1126734300.db2.gz BYLCWNHZZJMJDU-DZGCQCFKSA-N 2 2 335.452 -0.065 20 30 EBEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CC(=O)NCC#N)C1 ZINC001485501874 1126734302 /nfs/dbraw/zinc/73/43/02/1126734302.db2.gz BYLCWNHZZJMJDU-DZGCQCFKSA-N 2 2 335.452 -0.065 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490550367 1129211580 /nfs/dbraw/zinc/21/15/80/1129211580.db2.gz KTJOYEYPQZMENB-GJZGRUSLSA-N 2 2 332.448 -0.057 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001490550367 1129211584 /nfs/dbraw/zinc/21/15/84/1129211584.db2.gz KTJOYEYPQZMENB-GJZGRUSLSA-N 2 2 332.448 -0.057 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001671091915 1129271908 /nfs/dbraw/zinc/27/19/08/1129271908.db2.gz YGVZRANFOYNUMX-SFHVURJKSA-N 2 2 343.431 -0.066 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@]2(CCN(C(=O)Cc3[nH]c[nH+]c3C)C2)C1 ZINC001671091915 1129271910 /nfs/dbraw/zinc/27/19/10/1129271910.db2.gz YGVZRANFOYNUMX-SFHVURJKSA-N 2 2 343.431 -0.066 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491213087 1130363979 /nfs/dbraw/zinc/36/39/79/1130363979.db2.gz JAUKWETYTRRCHS-HOTGVXAUSA-N 2 2 347.463 -0.061 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491213087 1130363981 /nfs/dbraw/zinc/36/39/81/1130363981.db2.gz JAUKWETYTRRCHS-HOTGVXAUSA-N 2 2 347.463 -0.061 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001330666698 1130712998 /nfs/dbraw/zinc/71/29/98/1130712998.db2.gz HLIKLLCHDCOOBJ-MGPQQGTHSA-N 2 2 331.420 -0.178 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001330666698 1130713003 /nfs/dbraw/zinc/71/30/03/1130713003.db2.gz HLIKLLCHDCOOBJ-MGPQQGTHSA-N 2 2 331.420 -0.178 20 30 EBEDLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCn3cnc(C#N)n3)C2)CC1 ZINC000588143779 377389487 /nfs/dbraw/zinc/38/94/87/377389487.db2.gz GGZZPWFETGLOIY-ZDUSSCGKSA-N 2 2 346.439 -0.383 20 30 EBEDLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCn3cnc(C#N)n3)C2)CC1 ZINC000588143779 377389505 /nfs/dbraw/zinc/38/95/05/377389505.db2.gz GGZZPWFETGLOIY-ZDUSSCGKSA-N 2 2 346.439 -0.383 20 30 EBEDLP C[NH+]=C(NCc1c[nH+]c(N(C)C)n1C)N[C@@H]1CCc2ncnn2C1 ZINC000262759822 379239642 /nfs/dbraw/zinc/23/96/42/379239642.db2.gz FPORITIVEYNXFS-LLVKDONJSA-N 2 2 331.428 -0.242 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000491253308 379592475 /nfs/dbraw/zinc/59/24/75/379592475.db2.gz MVTXHAHRUXEAOM-HNNXBMFYSA-N 2 2 349.431 -0.725 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000491253308 379592483 /nfs/dbraw/zinc/59/24/83/379592483.db2.gz MVTXHAHRUXEAOM-HNNXBMFYSA-N 2 2 349.431 -0.725 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000490739618 379557534 /nfs/dbraw/zinc/55/75/34/379557534.db2.gz FMGNZSHZXDRMPS-KRWDZBQOSA-N 2 2 334.464 -0.440 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000490739618 379557545 /nfs/dbraw/zinc/55/75/45/379557545.db2.gz FMGNZSHZXDRMPS-KRWDZBQOSA-N 2 2 334.464 -0.440 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000490778911 379562468 /nfs/dbraw/zinc/56/24/68/379562468.db2.gz ONLIJSYFYXDWFK-UHFFFAOYSA-N 2 2 334.464 -0.440 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)CC1 ZINC000491812910 379633439 /nfs/dbraw/zinc/63/34/39/379633439.db2.gz PFXRNRFJCAPVOR-BBWFWOEESA-N 2 2 335.448 -0.374 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)C[C@H]2[C@H]2CCCOC2)CC1 ZINC000491812910 379633443 /nfs/dbraw/zinc/63/34/43/379633443.db2.gz PFXRNRFJCAPVOR-BBWFWOEESA-N 2 2 335.448 -0.374 20 30 EBEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371227645 380640632 /nfs/dbraw/zinc/64/06/32/380640632.db2.gz VOFKVCRXQHHGOW-INIZCTEOSA-N 2 2 335.452 -0.549 20 30 EBEDLP N#CCCN(CC[NH+]1CCOCC1)C(=O)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000371227645 380640634 /nfs/dbraw/zinc/64/06/34/380640634.db2.gz VOFKVCRXQHHGOW-INIZCTEOSA-N 2 2 335.452 -0.549 20 30 EBEDLP C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000328899961 380816899 /nfs/dbraw/zinc/81/68/99/380816899.db2.gz ZHRZJWPPOKHRGB-HOTGVXAUSA-N 2 2 339.484 -0.059 20 30 EBEDLP C[NH+](C)C1CCN(CCNC(=O)N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000328899961 380816909 /nfs/dbraw/zinc/81/69/09/380816909.db2.gz ZHRZJWPPOKHRGB-HOTGVXAUSA-N 2 2 339.484 -0.059 20 30 EBEDLP CC#CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CC#CC)CC1 ZINC000293044083 380989770 /nfs/dbraw/zinc/98/97/70/380989770.db2.gz HIEHACMJDRJEQV-UHFFFAOYSA-N 2 2 332.448 -0.433 20 30 EBEDLP CC#CC[NH+](C)CC(=O)N1CCN(C(=O)C[N@H+](C)CC#CC)CC1 ZINC000293044083 380989780 /nfs/dbraw/zinc/98/97/80/380989780.db2.gz HIEHACMJDRJEQV-UHFFFAOYSA-N 2 2 332.448 -0.433 20 30 EBEDLP O=C(NCC[NH+]1CCOCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000330195446 381712679 /nfs/dbraw/zinc/71/26/79/381712679.db2.gz BPKRVNOMFZHDRZ-OAHLLOKOSA-N 2 2 326.441 -0.113 20 30 EBEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@@H+]2C ZINC000329922376 381699857 /nfs/dbraw/zinc/69/98/57/381699857.db2.gz GIMNCTYUIOKYGN-KFWWJZLASA-N 2 2 325.457 -0.449 20 30 EBEDLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000329922376 381699863 /nfs/dbraw/zinc/69/98/63/381699863.db2.gz GIMNCTYUIOKYGN-KFWWJZLASA-N 2 2 325.457 -0.449 20 30 EBEDLP C=CC[NH+]1CCC(NC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)CC1 ZINC000083720981 381920247 /nfs/dbraw/zinc/92/02/47/381920247.db2.gz QIMMGHUDFFPAAC-INIZCTEOSA-N 2 2 340.468 -0.029 20 30 EBEDLP N#CCCCC[C@H]([NH3+])C(=O)Nc1ccn(CC[NH+]2CCOCC2)n1 ZINC000594437132 421200906 /nfs/dbraw/zinc/20/09/06/421200906.db2.gz IONIHODSECPCAJ-AWEZNQCLSA-N 2 2 334.424 0.565 20 30 EBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)N3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000423017378 268219644 /nfs/dbraw/zinc/21/96/44/268219644.db2.gz WFHDWMPSEJZUGI-INIZCTEOSA-N 2 2 341.415 -0.238 20 30 EBEDLP C=C[C@H](O)C(=O)N(C)C1CC[NH+](CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000668371803 545663501 /nfs/dbraw/zinc/66/35/01/545663501.db2.gz XRIQGOFPXDQUSK-HNNXBMFYSA-N 2 2 338.452 -0.770 20 30 EBEDLP C(#CC[N@@H+]1CCN2CCOC[C@@H]2C1)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000671243341 545948971 /nfs/dbraw/zinc/94/89/71/545948971.db2.gz UTTXYKYBFWUUSA-ROUUACIJSA-N 2 2 334.464 -0.977 20 30 EBEDLP C(#CC[N@H+]1CCN2CCOC[C@@H]2C1)C[NH+]1CCN2CCOC[C@@H]2C1 ZINC000671243341 545948974 /nfs/dbraw/zinc/94/89/74/545948974.db2.gz UTTXYKYBFWUUSA-ROUUACIJSA-N 2 2 334.464 -0.977 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(c3nc(N)n[nH]3)CC2)CC1 ZINC000852056284 584206993 /nfs/dbraw/zinc/20/69/93/584206993.db2.gz JCZVGZDLMMINPH-UHFFFAOYSA-N 2 2 331.424 -0.656 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](O)CC3(CCOCC3)C2)CC1 ZINC000880585696 584569936 /nfs/dbraw/zinc/56/99/36/584569936.db2.gz ZYNGGLYPSAQVMA-MRXNPFEDSA-N 2 2 335.448 -0.373 20 30 EBEDLP 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C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCn2cccn2)C[C@H]1OC ZINC001081810317 813620798 /nfs/dbraw/zinc/62/07/98/813620798.db2.gz TZVGXJXVVYMFGU-IXDOHACOSA-N 2 2 345.447 -0.204 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCn2cccn2)C[C@H]1OC ZINC001081810317 813620801 /nfs/dbraw/zinc/62/08/01/813620801.db2.gz TZVGXJXVVYMFGU-IXDOHACOSA-N 2 2 345.447 -0.204 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1OC ZINC001081810317 813620806 /nfs/dbraw/zinc/62/08/06/813620806.db2.gz TZVGXJXVVYMFGU-IXDOHACOSA-N 2 2 345.447 -0.204 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCn2cccn2)C[C@H]1OC ZINC001081810317 813620813 /nfs/dbraw/zinc/62/08/13/813620813.db2.gz TZVGXJXVVYMFGU-IXDOHACOSA-N 2 2 345.447 -0.204 20 30 EBEDLP C#CCNC(=O)C[N@@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267108263 813760593 /nfs/dbraw/zinc/76/05/93/813760593.db2.gz NUZCKHFLODGUKJ-OAHLLOKOSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCNC(=O)C[N@H+](C)[C@@H]1CCCN(C(=O)Cn2c[nH+]cc2C)C1 ZINC001267108263 813760599 /nfs/dbraw/zinc/76/05/99/813760599.db2.gz NUZCKHFLODGUKJ-OAHLLOKOSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267743195 814018217 /nfs/dbraw/zinc/01/82/17/814018217.db2.gz NDQQDAZNYXKGNE-KGLIPLIRSA-N 2 2 326.416 -0.394 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)C1 ZINC001267743195 814018223 /nfs/dbraw/zinc/01/82/23/814018223.db2.gz NDQQDAZNYXKGNE-KGLIPLIRSA-N 2 2 326.416 -0.394 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001267779721 814040064 /nfs/dbraw/zinc/04/00/64/814040064.db2.gz UOIREGLIVYYGHU-MRXNPFEDSA-N 2 2 345.447 -0.496 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001267779721 814040073 /nfs/dbraw/zinc/04/00/73/814040073.db2.gz UOIREGLIVYYGHU-MRXNPFEDSA-N 2 2 345.447 -0.496 20 30 EBEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275997 814255520 /nfs/dbraw/zinc/25/55/20/814255520.db2.gz IFUHLWSJRKZWEO-IXDOHACOSA-N 2 2 335.448 -0.110 20 30 EBEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H](C)C[NH+]3CCOCC3)[C@H]2C1 ZINC001083275997 814255530 /nfs/dbraw/zinc/25/55/30/814255530.db2.gz IFUHLWSJRKZWEO-IXDOHACOSA-N 2 2 335.448 -0.110 20 30 EBEDLP C[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001269949489 815649678 /nfs/dbraw/zinc/64/96/78/815649678.db2.gz RWVKOOYQPIZULD-UONOGXRCSA-N 2 2 346.435 -0.038 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959118 815741649 /nfs/dbraw/zinc/74/16/49/815741649.db2.gz HAMJXEHBVSJMMM-ILXRZTDVSA-N 2 2 348.447 -0.970 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959118 815741656 /nfs/dbraw/zinc/74/16/56/815741656.db2.gz HAMJXEHBVSJMMM-ILXRZTDVSA-N 2 2 348.447 -0.970 20 30 EBEDLP C#CCN(C(=O)Cc1[nH]cc[nH+]1)C1CC[NH+](C[C@@H](O)COC)CC1 ZINC001270351450 815757990 /nfs/dbraw/zinc/75/79/90/815757990.db2.gz OOFQRYPJHZKGFX-OAHLLOKOSA-N 2 2 334.420 -0.114 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@@H]2O)CC1 ZINC001084089574 815826980 /nfs/dbraw/zinc/82/69/80/815826980.db2.gz QQDSNFOLYZGZAK-SJORKVTESA-N 2 2 345.447 -0.573 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@@H]2O)CC1 ZINC001084089574 815826988 /nfs/dbraw/zinc/82/69/88/815826988.db2.gz QQDSNFOLYZGZAK-SJORKVTESA-N 2 2 345.447 -0.573 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001085987038 816202246 /nfs/dbraw/zinc/20/22/46/816202246.db2.gz RUHKNTRMKBJWOI-GOEBONIOSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H](C)C(=O)NC)CC1 ZINC001085987038 816202251 /nfs/dbraw/zinc/20/22/51/816202251.db2.gz RUHKNTRMKBJWOI-GOEBONIOSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cc(C)ncn1 ZINC001272182614 816341632 /nfs/dbraw/zinc/34/16/32/816341632.db2.gz QPBGTLKGIJYSAG-KRWDZBQOSA-N 2 2 345.447 -0.207 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cc(C)ncn1 ZINC001272182614 816341639 /nfs/dbraw/zinc/34/16/39/816341639.db2.gz QPBGTLKGIJYSAG-KRWDZBQOSA-N 2 2 345.447 -0.207 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001272271292 816379045 /nfs/dbraw/zinc/37/90/45/816379045.db2.gz LXJKKQHMLJHQLM-TZMCWYRMSA-N 2 2 332.408 -0.143 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001272271292 816379053 /nfs/dbraw/zinc/37/90/53/816379053.db2.gz LXJKKQHMLJHQLM-TZMCWYRMSA-N 2 2 332.408 -0.143 20 30 EBEDLP C[NH+]1CCN(C(=O)C[N@@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273836068 816781152 /nfs/dbraw/zinc/78/11/52/816781152.db2.gz MSPVDETUJCHXQQ-SFHVURJKSA-N 2 2 347.463 -0.011 20 30 EBEDLP C[NH+]1CCN(C(=O)C[N@H+]2CC[C@]3(CCN(CCCC#N)C3=O)C2)CC1 ZINC001273836068 816781158 /nfs/dbraw/zinc/78/11/58/816781158.db2.gz MSPVDETUJCHXQQ-SFHVURJKSA-N 2 2 347.463 -0.011 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001274221878 816897867 /nfs/dbraw/zinc/89/78/67/816897867.db2.gz WIZPCEOIZIXAPW-SWLSCSKDSA-N 2 2 347.419 -0.464 20 30 EBEDLP C=CCN1CC[C@H]([NH2+][C@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001278186518 817720727 /nfs/dbraw/zinc/72/07/27/817720727.db2.gz FRNLEAGITUBHCU-STQMWFEESA-N 2 2 335.408 -0.886 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+][C@H](CO)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001278186517 817721007 /nfs/dbraw/zinc/72/10/07/817721007.db2.gz FRNLEAGITUBHCU-QWHCGFSZSA-N 2 2 335.408 -0.886 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001278201263 817723684 /nfs/dbraw/zinc/72/36/84/817723684.db2.gz CTONAFNABPEQCI-AWEZNQCLSA-N 2 2 334.424 -0.975 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001278274683 817735520 /nfs/dbraw/zinc/73/55/20/817735520.db2.gz RIIJQSKFEBDMPJ-OCCSQVGLSA-N 2 2 347.419 -0.322 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)[C@@H]1C ZINC001278274685 817735647 /nfs/dbraw/zinc/73/56/47/817735647.db2.gz RIIJQSKFEBDMPJ-TZMCWYRMSA-N 2 2 347.419 -0.322 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCn2cc[nH+]c2)C1 ZINC001278424516 817759792 /nfs/dbraw/zinc/75/97/92/817759792.db2.gz SGLVRPKNIACHEL-CABCVRRESA-N 2 2 331.420 -0.008 20 30 EBEDLP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CC(=O)NCC#N ZINC001278521937 817775999 /nfs/dbraw/zinc/77/59/99/817775999.db2.gz RTFDNTVTZOMFEI-ZIAGYGMSSA-N 2 2 335.452 -0.063 20 30 EBEDLP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@H+]1CC(=O)NCC#N ZINC001278521937 817776004 /nfs/dbraw/zinc/77/60/04/817776004.db2.gz RTFDNTVTZOMFEI-ZIAGYGMSSA-N 2 2 335.452 -0.063 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001278529183 817777649 /nfs/dbraw/zinc/77/76/49/817777649.db2.gz NJOXJXONAYZMOG-KRWDZBQOSA-N 2 2 331.420 -0.149 20 30 EBEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)nn2)C1 ZINC001094315825 818235688 /nfs/dbraw/zinc/23/56/88/818235688.db2.gz BCOOOXHUUQVMEE-XJKSGUPXSA-N 2 2 330.436 -0.028 20 30 EBEDLP C#CCC[NH+]1CC(n2cc(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)nn2)C1 ZINC001094315825 818235692 /nfs/dbraw/zinc/23/56/92/818235692.db2.gz BCOOOXHUUQVMEE-XJKSGUPXSA-N 2 2 330.436 -0.028 20 30 EBEDLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282063896 818352990 /nfs/dbraw/zinc/35/29/90/818352990.db2.gz KPDZNSAARVQRJA-PNESKVBLSA-N 2 2 332.408 -0.288 20 30 EBEDLP C[C@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282063896 818352998 /nfs/dbraw/zinc/35/29/98/818352998.db2.gz KPDZNSAARVQRJA-PNESKVBLSA-N 2 2 332.408 -0.288 20 30 EBEDLP C[C@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NCC#N ZINC001283628857 818888087 /nfs/dbraw/zinc/88/80/87/818888087.db2.gz AFJVPFGDLASXOD-OLZOCXBDSA-N 2 2 332.408 -0.478 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H](CO)[NH2+]Cc2cnns2)CC1 ZINC001283831580 818990992 /nfs/dbraw/zinc/99/09/92/818990992.db2.gz MDWZGOPMILNXGC-CYBMUJFWSA-N 2 2 337.449 -0.550 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001284069057 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VTJONDLWXDTMFG-UONOGXRCSA-N 2 2 349.435 -0.843 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001486508549 1127194304 /nfs/dbraw/zinc/19/43/04/1127194304.db2.gz AJVFQRFXRBDRMR-INIZCTEOSA-N 2 2 332.448 -0.032 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC=C(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001486508549 1127194306 /nfs/dbraw/zinc/19/43/06/1127194306.db2.gz AJVFQRFXRBDRMR-INIZCTEOSA-N 2 2 332.448 -0.032 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486508549 1127194308 /nfs/dbraw/zinc/19/43/08/1127194308.db2.gz AJVFQRFXRBDRMR-INIZCTEOSA-N 2 2 332.448 -0.032 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001486508549 1127194310 /nfs/dbraw/zinc/19/43/10/1127194310.db2.gz AJVFQRFXRBDRMR-INIZCTEOSA-N 2 2 332.448 -0.032 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001487191799 1127429163 /nfs/dbraw/zinc/42/91/63/1127429163.db2.gz BQCZLSNCAATTNL-ZBFHGGJFSA-N 2 2 343.431 -0.056 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC([C@@H](C)NC(=O)Cn2cc[nH+]c2)C1 ZINC001487191799 1127429166 /nfs/dbraw/zinc/42/91/66/1127429166.db2.gz BQCZLSNCAATTNL-ZBFHGGJFSA-N 2 2 343.431 -0.056 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](CNC(=O)CCn2cc[nH+]c2)C1 ZINC001488762676 1128839785 /nfs/dbraw/zinc/83/97/85/1128839785.db2.gz XMPKWRNLJYSGLZ-SOUVJXGZSA-N 2 2 331.420 -0.105 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](NC(=O)CCc2c[nH+]cn2C)C1 ZINC001491075055 1130312994 /nfs/dbraw/zinc/31/29/94/1130312994.db2.gz CSTRNNJQPPHEKS-MELADBBJSA-N 2 2 331.420 -0.273 20 30 EBEDLP CNC(=O)C[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000330654012 380831661 /nfs/dbraw/zinc/83/16/61/380831661.db2.gz ZPFLRZNVJQAMJO-UHFFFAOYSA-N 2 2 341.456 -0.625 20 30 EBEDLP N#CCCN(CC[NH+]1CCOCC1)C[C@H](O)C[NH+]1CCOCC1 ZINC000177028567 381071222 /nfs/dbraw/zinc/07/12/22/381071222.db2.gz NXUNINPOPXIGHA-INIZCTEOSA-N 2 2 326.441 -0.773 20 30 EBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329603886 381607141 /nfs/dbraw/zinc/60/71/41/381607141.db2.gz LNSDRCXBXDQJFE-UONOGXRCSA-N 2 2 339.440 -0.921 20 30 EBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)CC1 ZINC000329603886 381607152 /nfs/dbraw/zinc/60/71/52/381607152.db2.gz LNSDRCXBXDQJFE-UONOGXRCSA-N 2 2 339.440 -0.921 20 30 EBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329631481 381614851 /nfs/dbraw/zinc/61/48/51/381614851.db2.gz VXMKBGPVMGXZGV-JKSUJKDBSA-N 2 2 339.484 -0.057 20 30 EBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCOCC1 ZINC000329631481 381614862 /nfs/dbraw/zinc/61/48/62/381614862.db2.gz VXMKBGPVMGXZGV-JKSUJKDBSA-N 2 2 339.484 -0.057 20 30 EBEDLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329498665 545740985 /nfs/dbraw/zinc/74/09/85/545740985.db2.gz XWMYYLWQEXQOLR-RRFJBIMHSA-N 2 2 327.473 -0.155 20 30 EBEDLP C[C@H]([C@H](C)NC(=O)NC[C@@H]1C[N@@H+](C)CCN1C)[NH+]1CCOCC1 ZINC000329498665 545740989 /nfs/dbraw/zinc/74/09/89/545740989.db2.gz 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C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC000862645171 584354869 /nfs/dbraw/zinc/35/48/69/584354869.db2.gz VIRFTEAMXTYUAM-MAUKXSAKSA-N 2 2 335.448 -0.184 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC000862645171 584354872 /nfs/dbraw/zinc/35/48/72/584354872.db2.gz VIRFTEAMXTYUAM-MAUKXSAKSA-N 2 2 335.448 -0.184 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000862645171 584354874 /nfs/dbraw/zinc/35/48/74/584354874.db2.gz VIRFTEAMXTYUAM-MAUKXSAKSA-N 2 2 335.448 -0.184 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(CO)COCC2(CCC2)[NH+]1C ZINC000862645171 584354879 /nfs/dbraw/zinc/35/48/79/584354879.db2.gz VIRFTEAMXTYUAM-MAUKXSAKSA-N 2 2 335.448 -0.184 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000878945626 584545861 /nfs/dbraw/zinc/54/58/61/584545861.db2.gz PJGPOMLSLYVLQM-CYBMUJFWSA-N 2 2 332.408 -0.391 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000878945626 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C=CCNC(=O)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](CC)CCO2)C1 ZINC001481124331 1125927574 /nfs/dbraw/zinc/92/75/74/1125927574.db2.gz OTKAGOURNKBALX-GJZGRUSLSA-N 2 2 338.452 -0.553 20 30 EBEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CC(=O)NCC#N ZINC001691499030 1126029843 /nfs/dbraw/zinc/02/98/43/1126029843.db2.gz LNSDQOFKOLEYGA-QLFBSQMISA-N 2 2 335.452 -0.063 20 30 EBEDLP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@H+]1CC(=O)NCC#N ZINC001691499030 1126029845 /nfs/dbraw/zinc/02/98/45/1126029845.db2.gz LNSDQOFKOLEYGA-QLFBSQMISA-N 2 2 335.452 -0.063 20 30 EBEDLP CC[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001691499030 1126029847 /nfs/dbraw/zinc/02/98/47/1126029847.db2.gz LNSDQOFKOLEYGA-QLFBSQMISA-N 2 2 335.452 -0.063 20 30 EBEDLP CC[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC[NH+]1CC(=O)NCC#N ZINC001691499030 1126029850 /nfs/dbraw/zinc/02/98/50/1126029850.db2.gz LNSDQOFKOLEYGA-QLFBSQMISA-N 2 2 335.452 -0.063 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001482455164 1126153422 /nfs/dbraw/zinc/15/34/22/1126153422.db2.gz GUGUKVDHWCGLHI-AWEZNQCLSA-N 2 2 332.408 -0.047 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1conc1CC ZINC001482738548 1126272625 /nfs/dbraw/zinc/27/26/25/1126272625.db2.gz HZEFZRJZZRURGJ-HOCLYGCPSA-N 2 2 334.420 -0.099 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1conc1CC ZINC001482738548 1126272627 /nfs/dbraw/zinc/27/26/27/1126272627.db2.gz HZEFZRJZZRURGJ-HOCLYGCPSA-N 2 2 334.420 -0.099 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001483142646 1126346057 /nfs/dbraw/zinc/34/60/57/1126346057.db2.gz DZQCBSDNTZVNGJ-VXGBXAGGSA-N 2 2 335.408 -0.418 20 30 EBEDLP COCC#CCN1CC[NH+]([C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001484703299 1126623554 /nfs/dbraw/zinc/62/35/54/1126623554.db2.gz GGDJUEBTIMQMGH-GOSISDBHSA-N 2 2 348.491 -0.050 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001484927484 1126652990 /nfs/dbraw/zinc/65/29/90/1126652990.db2.gz TUHASSBLGGSEMY-UHFFFAOYSA-N 2 2 332.408 -0.427 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001484979173 1126661408 /nfs/dbraw/zinc/66/14/08/1126661408.db2.gz LUNYJTSLDVSBRD-DZGCQCFKSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)Cn2c[nH+]cc2C)C[C@@H]1C ZINC001484979173 1126661409 /nfs/dbraw/zinc/66/14/09/1126661409.db2.gz LUNYJTSLDVSBRD-DZGCQCFKSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001484994003 1126662309 /nfs/dbraw/zinc/66/23/09/1126662309.db2.gz ZUWASJIOPXGUGA-STQMWFEESA-N 2 2 334.424 -0.810 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001484994003 1126662311 /nfs/dbraw/zinc/66/23/11/1126662311.db2.gz ZUWASJIOPXGUGA-STQMWFEESA-N 2 2 334.424 -0.810 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](CO)[NH2+][C@H](C)c2nncn2C)CC1 ZINC001486065980 1127015961 /nfs/dbraw/zinc/01/59/61/1127015961.db2.gz LTIQSOREDIVREE-HIFRSBDPSA-N 2 2 348.451 -0.712 20 30 EBEDLP C[C@@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001486092924 1127031279 /nfs/dbraw/zinc/03/12/79/1127031279.db2.gz SFAUKOUWCMFHJT-OCCSQVGLSA-N 2 2 332.408 -0.429 20 30 EBEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488779228 1128842840 /nfs/dbraw/zinc/84/28/40/1128842840.db2.gz MOMKPNKGAYYVEU-RWMBFGLXSA-N 2 2 332.408 -0.288 20 30 EBEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001488779228 1128842845 /nfs/dbraw/zinc/84/28/45/1128842845.db2.gz MOMKPNKGAYYVEU-RWMBFGLXSA-N 2 2 332.408 -0.288 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001488747205 1128845714 /nfs/dbraw/zinc/84/57/14/1128845714.db2.gz LFQCHTRPSNDKRI-KFWWJZLASA-N 2 2 343.431 -0.321 20 30 EBEDLP N#CCNC(=O)C[NH+]1CCC2(C[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001490606779 1129234845 /nfs/dbraw/zinc/23/48/45/1129234845.db2.gz AGKMDNVKRQYMHB-CYBMUJFWSA-N 2 2 330.392 -0.506 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001691712981 1129273593 /nfs/dbraw/zinc/27/35/93/1129273593.db2.gz IZNDFWUWTFFMOM-MELADBBJSA-N 2 2 344.419 -0.430 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001490830300 1129614433 /nfs/dbraw/zinc/61/44/33/1129614433.db2.gz ZRJUOFZSEYAQJX-OLZOCXBDSA-N 2 2 330.392 -0.724 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001491018419 1130290999 /nfs/dbraw/zinc/29/09/99/1130290999.db2.gz LOTBPVVXKWBQSZ-BETUJISGSA-N 2 2 344.419 -0.362 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492390086 1130651901 /nfs/dbraw/zinc/65/19/01/1130651901.db2.gz VSLVIKYNWLLZPV-DZGCQCFKSA-N 2 2 345.447 -0.060 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001492390086 1130651903 /nfs/dbraw/zinc/65/19/03/1130651903.db2.gz VSLVIKYNWLLZPV-DZGCQCFKSA-N 2 2 345.447 -0.060 20 30 EBEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]CCC[N@H+]1CCC[C@@H]1C(N)=O)C2 ZINC000557598647 375872135 /nfs/dbraw/zinc/87/21/35/375872135.db2.gz VJLWFPGXLLMSJP-GXTWGEPZSA-N 2 2 331.424 -0.274 20 30 EBEDLP N#Cc1cnn2c1NC[C@H](C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(N)=O)C2 ZINC000557598647 375872153 /nfs/dbraw/zinc/87/21/53/375872153.db2.gz VJLWFPGXLLMSJP-GXTWGEPZSA-N 2 2 331.424 -0.274 20 30 EBEDLP C[NH+]=C(NC[C@H]1C[N@H+](C)CCO1)N1CCN(c2ncccn2)CC1 ZINC000114067205 376665071 /nfs/dbraw/zinc/66/50/71/376665071.db2.gz WWCLEWRIJXRLMD-AWEZNQCLSA-N 2 2 333.440 -0.495 20 30 EBEDLP C[NH+]=C(NC[C@H]1C[N@@H+](C)CCO1)N1CCN(c2ncccn2)CC1 ZINC000114067205 376665080 /nfs/dbraw/zinc/66/50/80/376665080.db2.gz WWCLEWRIJXRLMD-AWEZNQCLSA-N 2 2 333.440 -0.495 20 30 EBEDLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCn3cnc(C#N)n3)C2)CC1 ZINC000588143778 377390403 /nfs/dbraw/zinc/39/04/03/377390403.db2.gz GGZZPWFETGLOIY-CYBMUJFWSA-N 2 2 346.439 -0.383 20 30 EBEDLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCn3cnc(C#N)n3)C2)CC1 ZINC000588143778 377390405 /nfs/dbraw/zinc/39/04/05/377390405.db2.gz GGZZPWFETGLOIY-CYBMUJFWSA-N 2 2 346.439 -0.383 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCSC[C@H](C(=O)OC)C2)CC1 ZINC000491385574 377452612 /nfs/dbraw/zinc/45/26/12/377452612.db2.gz RVYTYEYKKGEHFD-CQSZACIVSA-N 2 2 339.461 -0.398 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCSC[C@H](C(=O)OC)C2)CC1 ZINC000491385574 377452623 /nfs/dbraw/zinc/45/26/23/377452623.db2.gz RVYTYEYKKGEHFD-CQSZACIVSA-N 2 2 339.461 -0.398 20 30 EBEDLP C[NH+](C)CCN1CC[N@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599451045 378247802 /nfs/dbraw/zinc/24/78/02/378247802.db2.gz STOUWXUGDABWDG-HNNXBMFYSA-N 2 2 338.452 -0.236 20 30 EBEDLP C[NH+](C)CCN1CC[N@@H+](C[C@@H](O)CC2(C#N)CCOCC2)CC1=O ZINC000599451045 378247810 /nfs/dbraw/zinc/24/78/10/378247810.db2.gz STOUWXUGDABWDG-HNNXBMFYSA-N 2 2 338.452 -0.236 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000491073377 379581586 /nfs/dbraw/zinc/58/15/86/379581586.db2.gz YNYYKRIPXVXZLZ-IAGOWNOFSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000491073377 379581591 /nfs/dbraw/zinc/58/15/91/379581591.db2.gz YNYYKRIPXVXZLZ-IAGOWNOFSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000491253309 379591090 /nfs/dbraw/zinc/59/10/90/379591090.db2.gz MVTXHAHRUXEAOM-OAHLLOKOSA-N 2 2 349.431 -0.725 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@H](C(=O)OCC)C3(COC3)C2)CC1 ZINC000491253309 379591096 /nfs/dbraw/zinc/59/10/96/379591096.db2.gz MVTXHAHRUXEAOM-OAHLLOKOSA-N 2 2 349.431 -0.725 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000490739619 379557694 /nfs/dbraw/zinc/55/76/94/379557694.db2.gz FMGNZSHZXDRMPS-QGZVFWFLSA-N 2 2 334.464 -0.440 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000490739619 379557701 /nfs/dbraw/zinc/55/77/01/379557701.db2.gz FMGNZSHZXDRMPS-QGZVFWFLSA-N 2 2 334.464 -0.440 20 30 EBEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739908 379558735 /nfs/dbraw/zinc/55/87/35/379558735.db2.gz HQRRCFKCIKBTIM-SFHVURJKSA-N 2 2 347.507 -0.524 20 30 EBEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739908 379558743 /nfs/dbraw/zinc/55/87/43/379558743.db2.gz HQRRCFKCIKBTIM-SFHVURJKSA-N 2 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739908 379558752 /nfs/dbraw/zinc/55/87/52/379558752.db2.gz HQRRCFKCIKBTIM-SFHVURJKSA-N 3 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739908 379558760 /nfs/dbraw/zinc/55/87/60/379558760.db2.gz HQRRCFKCIKBTIM-SFHVURJKSA-N 3 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)CN2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000490739933 379559851 /nfs/dbraw/zinc/55/98/51/379559851.db2.gz HYZKKTLOQZSGPS-UHFFFAOYSA-N 2 2 348.491 -0.192 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)C[C@H](OCC)C2(C)C)CC1 ZINC000491037212 379573833 /nfs/dbraw/zinc/57/38/33/379573833.db2.gz CDVQMHGZQSUVKR-MAUKXSAKSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)C[C@H](OCC)C2(C)C)CC1 ZINC000491037214 379574502 /nfs/dbraw/zinc/57/45/02/379574502.db2.gz CDVQMHGZQSUVKR-YJBOKZPZSA-N 2 2 337.464 -0.081 20 30 EBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+]2CCOCC2)CC1 ZINC000343759512 381010923 /nfs/dbraw/zinc/01/09/23/381010923.db2.gz CQLOQJRALKZXSK-UHFFFAOYSA-N 2 2 338.452 -0.456 20 30 EBEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@H+](C)CCN3C)CC2)cn1 ZINC000329344511 381595340 /nfs/dbraw/zinc/59/53/40/381595340.db2.gz CLLBUISSECPTJY-INIZCTEOSA-N 2 2 349.483 -0.303 20 30 EBEDLP Cn1cc(C[NH+]2CCN(C(=O)NC[C@H]3C[N@@H+](C)CCN3C)CC2)cn1 ZINC000329344511 381595345 /nfs/dbraw/zinc/59/53/45/381595345.db2.gz CLLBUISSECPTJY-INIZCTEOSA-N 2 2 349.483 -0.303 20 30 EBEDLP CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329816428 381694416 /nfs/dbraw/zinc/69/44/16/381694416.db2.gz VXMKBGPVMGXZGV-HZPDHXFCSA-N 2 2 339.484 -0.057 20 30 EBEDLP CN1CC[N@@H+](C)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000329816428 381694425 /nfs/dbraw/zinc/69/44/25/381694425.db2.gz VXMKBGPVMGXZGV-HZPDHXFCSA-N 2 2 339.484 -0.057 20 30 EBEDLP C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)CC1 ZINC000329927598 381700457 /nfs/dbraw/zinc/70/04/57/381700457.db2.gz LRQRGKLFJRINLU-CVEARBPZSA-N 2 2 339.484 -0.059 20 30 EBEDLP C[NH+](C)CCN1CCC(NC(=O)N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)CC1 ZINC000329927598 381700461 /nfs/dbraw/zinc/70/04/61/381700461.db2.gz LRQRGKLFJRINLU-CVEARBPZSA-N 2 2 339.484 -0.059 20 30 EBEDLP N#Cc1ccc(C[NH+]2CCN(C(=O)C(=O)NCCC[NH3+])CC2)cc1 ZINC000419841059 268219794 /nfs/dbraw/zinc/21/97/94/268219794.db2.gz TWZPXDSQKHWOEL-UHFFFAOYSA-N 2 2 329.404 -0.333 20 30 EBEDLP C[C@@H](NC(=O)CO[NH+]=C(N)c1ccc(C[NH+](C)C)cc1)C(=O)N(C)C ZINC000762767893 583251276 /nfs/dbraw/zinc/25/12/76/583251276.db2.gz LKLCWHZVVPQFOL-GFCCVEGCSA-N 2 2 349.435 -0.022 20 30 EBEDLP COc1ccc(N2CC[NH+](C[C@H](O)C[NH2+]CC#CCO)CC2)cc1 ZINC000843080467 584070838 /nfs/dbraw/zinc/07/08/38/584070838.db2.gz WFNYUZNSXUJBDQ-QGZVFWFLSA-N 2 2 333.432 -0.237 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000844132326 584088396 /nfs/dbraw/zinc/08/83/96/584088396.db2.gz HBKOQKHQFDKYDV-HNNXBMFYSA-N 2 2 343.431 -0.271 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)CC1 ZINC000844132326 584088398 /nfs/dbraw/zinc/08/83/98/584088398.db2.gz HBKOQKHQFDKYDV-HNNXBMFYSA-N 2 2 343.431 -0.271 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC000941440921 652738688 /nfs/dbraw/zinc/73/86/88/652738688.db2.gz XBVNPLPXROIBTH-AEFFLSMTSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](C[C@@H](C)OC)C2)CC1 ZINC000941440921 652738690 /nfs/dbraw/zinc/73/86/90/652738690.db2.gz XBVNPLPXROIBTH-AEFFLSMTSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN2C(=O)Cn2cc[nH+]c2)CC1 ZINC000950432671 654131679 /nfs/dbraw/zinc/13/16/79/654131679.db2.gz WXGNSAXXILLSRH-MRXNPFEDSA-N 2 2 343.431 -0.055 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968954828 725134050 /nfs/dbraw/zinc/13/40/50/725134050.db2.gz UOIQHGKTAXVLDF-HIFRSBDPSA-N 2 2 343.435 -0.204 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH2+]Cc2nnnn2C2CC2)C1 ZINC000968954828 725134054 /nfs/dbraw/zinc/13/40/54/725134054.db2.gz UOIQHGKTAXVLDF-HIFRSBDPSA-N 2 2 343.435 -0.204 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000994754929 726073681 /nfs/dbraw/zinc/07/36/81/726073681.db2.gz OPKCHOQKLHJEBS-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CN(C(=O)Cn2cc[nH+]c2C)C1 ZINC000994754929 726073686 /nfs/dbraw/zinc/07/36/86/726073686.db2.gz OPKCHOQKLHJEBS-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000999397981 726518262 /nfs/dbraw/zinc/51/82/62/726518262.db2.gz NJNUKGZKGPARIW-KGLIPLIRSA-N 2 2 331.424 -0.612 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nnnn2C)C1 ZINC000999397981 726518263 /nfs/dbraw/zinc/51/82/63/726518263.db2.gz NJNUKGZKGPARIW-KGLIPLIRSA-N 2 2 331.424 -0.612 20 30 EBEDLP C=CCN1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CCO2)C1=O ZINC001051885117 735445436 /nfs/dbraw/zinc/44/54/36/735445436.db2.gz XMXZIIRQMKNOKK-KGLIPLIRSA-N 2 2 347.419 -0.444 20 30 EBEDLP CC(C)[N@@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052071344 735532523 /nfs/dbraw/zinc/53/25/23/735532523.db2.gz SMLATILTINMJBE-DLBZAZTESA-N 2 2 349.479 -0.162 20 30 EBEDLP CC(C)[N@H+]1CCO[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(CC#N)CC3)C2)C1 ZINC001052071344 735532525 /nfs/dbraw/zinc/53/25/25/735532525.db2.gz SMLATILTINMJBE-DLBZAZTESA-N 2 2 349.479 -0.162 20 30 EBEDLP CC#CCN1CC[NH+]([C@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001052099152 735545587 /nfs/dbraw/zinc/54/55/87/735545587.db2.gz VKCDQDABLBMVLM-SFHVURJKSA-N 2 2 348.491 -0.050 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+][C@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC001019652924 728963142 /nfs/dbraw/zinc/96/31/42/728963142.db2.gz BINGPDKKZCWDHC-DZGCQCFKSA-N 2 2 331.420 -0.060 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCNC1=O ZINC001029342618 730399971 /nfs/dbraw/zinc/39/99/71/730399971.db2.gz XAXULUYTDNGQFF-FZKCQIBNSA-N 2 2 330.432 -0.352 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2[C@H]1CCNC1=O ZINC001029342618 730399974 /nfs/dbraw/zinc/39/99/74/730399974.db2.gz XAXULUYTDNGQFF-FZKCQIBNSA-N 2 2 330.432 -0.352 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCNC1=O ZINC001029342618 730399976 /nfs/dbraw/zinc/39/99/76/730399976.db2.gz XAXULUYTDNGQFF-FZKCQIBNSA-N 2 2 330.432 -0.352 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2[C@H]1CCNC1=O ZINC001029342618 730399978 /nfs/dbraw/zinc/39/99/78/730399978.db2.gz XAXULUYTDNGQFF-FZKCQIBNSA-N 2 2 330.432 -0.352 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N3CCC3)C2)CC1 ZINC001032204922 730829220 /nfs/dbraw/zinc/82/92/20/730829220.db2.gz JCGJYAKMDWGJCC-UHFFFAOYSA-N 2 2 332.448 -0.388 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001032827123 730939633 /nfs/dbraw/zinc/93/96/33/730939633.db2.gz DPGWLSAEAWZLAN-JYJNAYRXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@H]2CCCN(C)C2=O)C1 ZINC001032827123 730939635 /nfs/dbraw/zinc/93/96/35/730939635.db2.gz DPGWLSAEAWZLAN-JYJNAYRXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001032827123 730939639 /nfs/dbraw/zinc/93/96/39/730939639.db2.gz DPGWLSAEAWZLAN-JYJNAYRXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@H]2CCCN(C)C2=O)C1 ZINC001032827123 730939640 /nfs/dbraw/zinc/93/96/40/730939640.db2.gz DPGWLSAEAWZLAN-JYJNAYRXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001034962772 731169054 /nfs/dbraw/zinc/16/90/54/731169054.db2.gz PXTJKCVAUKWKIO-ZNMIVQPWSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+][C@@H](C)c1nnnn1C ZINC001034962772 731169056 /nfs/dbraw/zinc/16/90/56/731169056.db2.gz PXTJKCVAUKWKIO-ZNMIVQPWSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001034963624 731169308 /nfs/dbraw/zinc/16/93/08/731169308.db2.gz XJAMYFFWCIFQKL-CVEARBPZSA-N 2 2 330.436 -0.007 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC001034963624 731169309 /nfs/dbraw/zinc/16/93/09/731169309.db2.gz XJAMYFFWCIFQKL-CVEARBPZSA-N 2 2 330.436 -0.007 20 30 EBEDLP C=CCOCC(=O)NC1CC[NH+](CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001055596130 736397900 /nfs/dbraw/zinc/39/79/00/736397900.db2.gz SYDHXORHARTJLQ-UHFFFAOYSA-N 2 2 349.435 -0.218 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069949360 740630678 /nfs/dbraw/zinc/63/06/78/740630678.db2.gz UCNJAFFTWFYBIE-PMPSAXMXSA-N 2 2 346.435 -0.900 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCCO)C[C@@H]1n1ccnn1 ZINC001069949360 740630680 /nfs/dbraw/zinc/63/06/80/740630680.db2.gz UCNJAFFTWFYBIE-PMPSAXMXSA-N 2 2 346.435 -0.900 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069949360 740630681 /nfs/dbraw/zinc/63/06/81/740630681.db2.gz UCNJAFFTWFYBIE-PMPSAXMXSA-N 2 2 346.435 -0.900 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCO)C[C@@H]1n1ccnn1 ZINC001069949360 740630684 /nfs/dbraw/zinc/63/06/84/740630684.db2.gz UCNJAFFTWFYBIE-PMPSAXMXSA-N 2 2 346.435 -0.900 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076580 740685410 /nfs/dbraw/zinc/68/54/10/740685410.db2.gz TYSBRQYUNVLVIF-XHSDSOJGSA-N 2 2 330.436 -0.015 20 30 EBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076580 740685413 /nfs/dbraw/zinc/68/54/13/740685413.db2.gz TYSBRQYUNVLVIF-XHSDSOJGSA-N 2 2 330.436 -0.015 20 30 EBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076580 740685415 /nfs/dbraw/zinc/68/54/15/740685415.db2.gz TYSBRQYUNVLVIF-XHSDSOJGSA-N 2 2 330.436 -0.015 20 30 EBEDLP CC#CC[NH+]1C[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)[C@@H](n2ccnn2)C1 ZINC001070076580 740685416 /nfs/dbraw/zinc/68/54/16/740685416.db2.gz TYSBRQYUNVLVIF-XHSDSOJGSA-N 2 2 330.436 -0.015 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070211478 740750068 /nfs/dbraw/zinc/75/00/68/740750068.db2.gz JNZXGOUTCQKUDY-ILXRZTDVSA-N 2 2 334.399 -0.313 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCF)[C@@H](n2ccnn2)C1 ZINC001070211478 740750071 /nfs/dbraw/zinc/75/00/71/740750071.db2.gz JNZXGOUTCQKUDY-ILXRZTDVSA-N 2 2 334.399 -0.313 20 30 EBEDLP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001070949828 740990906 /nfs/dbraw/zinc/99/09/06/740990906.db2.gz ZROGRTVMFJYULI-OAHLLOKOSA-N 2 2 338.452 -0.456 20 30 EBEDLP C=CCC[NH+]1CCNC(=O)CCN(C(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001070949828 740990908 /nfs/dbraw/zinc/99/09/08/740990908.db2.gz ZROGRTVMFJYULI-OAHLLOKOSA-N 2 2 338.452 -0.456 20 30 EBEDLP C=CCC[N@@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001070949828 740990911 /nfs/dbraw/zinc/99/09/11/740990911.db2.gz ZROGRTVMFJYULI-OAHLLOKOSA-N 2 2 338.452 -0.456 20 30 EBEDLP C=CCC[N@H+]1CCNC(=O)CCN(C(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001070949828 740990913 /nfs/dbraw/zinc/99/09/13/740990913.db2.gz ZROGRTVMFJYULI-OAHLLOKOSA-N 2 2 338.452 -0.456 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@H](C)C(=O)NC)C2 ZINC001072822840 741494705 /nfs/dbraw/zinc/49/47/05/741494705.db2.gz VJTGQLFUZNDCHJ-CABCVRRESA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@H](C)C(=O)NC)C2 ZINC001072822840 741494707 /nfs/dbraw/zinc/49/47/07/741494707.db2.gz VJTGQLFUZNDCHJ-CABCVRRESA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC)C2 ZINC001072822840 741494708 /nfs/dbraw/zinc/49/47/08/741494708.db2.gz VJTGQLFUZNDCHJ-CABCVRRESA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@H](C)C(=O)NC)C2 ZINC001072822840 741494710 /nfs/dbraw/zinc/49/47/10/741494710.db2.gz VJTGQLFUZNDCHJ-CABCVRRESA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]Cc3nnn(C)n3)C2)CC1 ZINC000985154124 807456289 /nfs/dbraw/zinc/45/62/89/807456289.db2.gz GRQNYQKWBIGTDB-CTYIDZIISA-N 2 2 345.451 -0.460 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC2CN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001002475964 809725765 /nfs/dbraw/zinc/72/57/65/809725765.db2.gz CGODALSPDLRHIB-UHFFFAOYSA-N 2 2 343.431 -0.197 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C[C@H]1C ZINC001215007947 810299153 /nfs/dbraw/zinc/29/91/53/810299153.db2.gz BFHIFTRKODPFMN-IJEWVQPXSA-N 2 2 343.431 -0.369 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@H]1C ZINC001215200150 810313559 /nfs/dbraw/zinc/31/35/59/810313559.db2.gz RBWVZGJMOQFGHY-ZIAGYGMSSA-N 2 2 331.420 -0.461 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)CCCn2cc[nH+]c2)C[C@H]1C ZINC001216988370 810400235 /nfs/dbraw/zinc/40/02/35/810400235.db2.gz RVHSOPRRXQDXTE-HUUCEWRRSA-N 2 2 331.420 -0.151 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867537 810887173 /nfs/dbraw/zinc/88/71/73/810887173.db2.gz OTAKOGQWMLUGON-APIJFGDWSA-N 2 2 327.425 -0.931 20 30 EBEDLP C=CCOCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867537 810887183 /nfs/dbraw/zinc/88/71/83/810887183.db2.gz OTAKOGQWMLUGON-APIJFGDWSA-N 2 2 327.425 -0.931 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867537 810887191 /nfs/dbraw/zinc/88/71/91/810887191.db2.gz OTAKOGQWMLUGON-APIJFGDWSA-N 2 2 327.425 -0.931 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](O)C1 ZINC001219867537 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/nfs/dbraw/zinc/56/89/63/811568963.db2.gz LFEJINQBLXCXTM-HUUCEWRRSA-N 2 2 332.448 -0.083 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)[C@@H]2C1 ZINC001221948216 811568968 /nfs/dbraw/zinc/56/89/68/811568968.db2.gz LFEJINQBLXCXTM-HUUCEWRRSA-N 2 2 332.448 -0.083 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954579 811952970 /nfs/dbraw/zinc/95/29/70/811952970.db2.gz VVJSAIYDNXPKCP-UKRRQHHQSA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954579 811952977 /nfs/dbraw/zinc/95/29/77/811952977.db2.gz VVJSAIYDNXPKCP-UKRRQHHQSA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001262093383 813035892 /nfs/dbraw/zinc/03/58/92/813035892.db2.gz ACNIEDJHIODFLB-CQSZACIVSA-N 2 2 346.435 -0.403 20 30 EBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC001262093383 813035900 /nfs/dbraw/zinc/03/59/00/813035900.db2.gz 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30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2nnnn2C)C1 ZINC001029758440 730496278 /nfs/dbraw/zinc/49/62/78/730496278.db2.gz YMHMGYZBTLAFAF-GJZGRUSLSA-N 2 2 345.451 -0.412 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nnnn2C)C1 ZINC001029758440 730496279 /nfs/dbraw/zinc/49/62/79/730496279.db2.gz YMHMGYZBTLAFAF-GJZGRUSLSA-N 2 2 345.451 -0.412 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2nnnn2C)C1 ZINC001029758440 730496280 /nfs/dbraw/zinc/49/62/80/730496280.db2.gz YMHMGYZBTLAFAF-GJZGRUSLSA-N 2 2 345.451 -0.412 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCc4ncnn43)C2)CC1 ZINC001031434750 730723329 /nfs/dbraw/zinc/72/33/29/730723329.db2.gz CWYACSHGUFXQKL-INIZCTEOSA-N 2 2 342.447 -0.089 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2[C@@H](C)C(=O)N(C)C)CC1 ZINC001039042818 731409899 /nfs/dbraw/zinc/40/98/99/731409899.db2.gz XFYHWARXDIELMV-GOEBONIOSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2[C@@H](C)C(=O)N(C)C)CC1 ZINC001039042818 731409901 /nfs/dbraw/zinc/40/99/01/731409901.db2.gz XFYHWARXDIELMV-GOEBONIOSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@H+](CC)CCO3)C2)CC1 ZINC001052119394 735557815 /nfs/dbraw/zinc/55/78/15/735557815.db2.gz QLGSVIMAUAUPOO-MSOLQXFVSA-N 2 2 348.491 -0.051 20 30 EBEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)CC1 ZINC001052119394 735557816 /nfs/dbraw/zinc/55/78/16/735557816.db2.gz QLGSVIMAUAUPOO-MSOLQXFVSA-N 2 2 348.491 -0.051 20 30 EBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875754 736071335 /nfs/dbraw/zinc/07/13/35/736071335.db2.gz LKZDTUHNBSFXRV-BNQMIIOLSA-N 2 2 345.443 -0.168 20 30 EBEDLP C#CCC[NH+]1CC2(C1)C[C@H](NC(=O)[C@H]1C[N@H+]3CC4CC3(C4)CO1)CO2 ZINC001053875754 736071338 /nfs/dbraw/zinc/07/13/38/736071338.db2.gz LKZDTUHNBSFXRV-BNQMIIOLSA-N 2 2 345.443 -0.168 20 30 EBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905542 740612571 /nfs/dbraw/zinc/61/25/71/740612571.db2.gz COJIROPXDUEGGO-ILXRZTDVSA-N 2 2 334.424 -0.474 20 30 EBEDLP C=CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905542 740612572 /nfs/dbraw/zinc/61/25/72/740612572.db2.gz COJIROPXDUEGGO-ILXRZTDVSA-N 2 2 334.424 -0.474 20 30 EBEDLP C=CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905542 740612573 /nfs/dbraw/zinc/61/25/73/740612573.db2.gz COJIROPXDUEGGO-ILXRZTDVSA-N 2 2 334.424 -0.474 20 30 EBEDLP C=CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905542 740612575 /nfs/dbraw/zinc/61/25/75/740612575.db2.gz COJIROPXDUEGGO-ILXRZTDVSA-N 2 2 334.424 -0.474 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958235 740634475 /nfs/dbraw/zinc/63/44/75/740634475.db2.gz CLJZFXWXXCBAFY-LVQVYYBASA-N 2 2 346.435 -0.638 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958235 740634477 /nfs/dbraw/zinc/63/44/77/740634477.db2.gz CLJZFXWXXCBAFY-LVQVYYBASA-N 2 2 346.435 -0.638 20 30 EBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958235 740634480 /nfs/dbraw/zinc/63/44/80/740634480.db2.gz CLJZFXWXXCBAFY-LVQVYYBASA-N 2 2 346.435 -0.638 20 30 EBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)C[C@@H](C)O2)[C@@H](n2ccnn2)C1 ZINC001069958235 740634484 /nfs/dbraw/zinc/63/44/84/740634484.db2.gz CLJZFXWXXCBAFY-LVQVYYBASA-N 2 2 346.435 -0.638 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100148 740697593 /nfs/dbraw/zinc/69/75/93/740697593.db2.gz GYKQRNRWNFXMNH-OWCLPIDISA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100148 740697595 /nfs/dbraw/zinc/69/75/95/740697595.db2.gz GYKQRNRWNFXMNH-OWCLPIDISA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100148 740697598 /nfs/dbraw/zinc/69/75/98/740697598.db2.gz GYKQRNRWNFXMNH-OWCLPIDISA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100148 740697601 /nfs/dbraw/zinc/69/76/01/740697601.db2.gz GYKQRNRWNFXMNH-OWCLPIDISA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100149 740697653 /nfs/dbraw/zinc/69/76/53/740697653.db2.gz GYKQRNRWNFXMNH-PMPSAXMXSA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100149 740697655 /nfs/dbraw/zinc/69/76/55/740697655.db2.gz GYKQRNRWNFXMNH-PMPSAXMXSA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100149 740697658 /nfs/dbraw/zinc/69/76/58/740697658.db2.gz GYKQRNRWNFXMNH-PMPSAXMXSA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](CC)CCO2)[C@@H](n2ccnn2)C1 ZINC001070100149 740697661 /nfs/dbraw/zinc/69/76/61/740697661.db2.gz GYKQRNRWNFXMNH-PMPSAXMXSA-N 2 2 346.435 -0.636 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1n1ccnn1 ZINC001070224274 740756712 /nfs/dbraw/zinc/75/67/12/740756712.db2.gz XBQHGXJXEFZKQX-CABCVRRESA-N 2 2 343.391 -0.384 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@@H+]([C@H](C)C(N)=O)C2 ZINC000981818871 806288795 /nfs/dbraw/zinc/28/87/95/806288795.db2.gz GROVLPXAALPYJU-CABCVRRESA-N 2 2 332.448 -0.118 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[N@H+]([C@H](C)C(N)=O)C2 ZINC000981818871 806288799 /nfs/dbraw/zinc/28/87/99/806288799.db2.gz GROVLPXAALPYJU-CABCVRRESA-N 2 2 332.448 -0.118 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)C(N)=O)C2 ZINC000981818871 806288802 /nfs/dbraw/zinc/28/88/02/806288802.db2.gz GROVLPXAALPYJU-CABCVRRESA-N 2 2 332.448 -0.118 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CCC[NH+]([C@H](C)C(N)=O)C2 ZINC000981818871 806288806 /nfs/dbraw/zinc/28/88/06/806288806.db2.gz GROVLPXAALPYJU-CABCVRRESA-N 2 2 332.448 -0.118 20 30 EBEDLP CS(=O)(=O)O[C@H]1C[NH2+][C@H](C(=O)NC[C@H]2CC[NH2+]CC2(F)F)C1 ZINC001220189584 811010385 /nfs/dbraw/zinc/01/03/85/811010385.db2.gz SIGKQDKKGIIRRH-BBBLOLIVSA-N 2 2 341.380 -0.946 20 30 EBEDLP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@@H]2O)C1 ZINC001220203636 811014046 /nfs/dbraw/zinc/01/40/46/811014046.db2.gz MKRUCDFMXNDQJN-BBWFWOEESA-N 2 2 337.464 -0.081 20 30 EBEDLP CCC[N@H+]1CCC[C@H](C(=O)N[C@@H]2C[NH+](CC#CCOC)C[C@@H]2O)C1 ZINC001220203636 811014055 /nfs/dbraw/zinc/01/40/55/811014055.db2.gz MKRUCDFMXNDQJN-BBWFWOEESA-N 2 2 337.464 -0.081 20 30 EBEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@H+](CC#CCOC)C[C@@H]2O)C1 ZINC001220203636 811014064 /nfs/dbraw/zinc/01/40/64/811014064.db2.gz MKRUCDFMXNDQJN-BBWFWOEESA-N 2 2 337.464 -0.081 20 30 EBEDLP CCC[NH+]1CCC[C@H](C(=O)N[C@@H]2C[N@@H+](CC#CCOC)C[C@@H]2O)C1 ZINC001220203636 811014072 /nfs/dbraw/zinc/01/40/72/811014072.db2.gz MKRUCDFMXNDQJN-BBWFWOEESA-N 2 2 337.464 -0.081 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367260 811074593 /nfs/dbraw/zinc/07/45/93/811074593.db2.gz QGFJFYQEMAHBCX-CABCVRRESA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367260 811074601 /nfs/dbraw/zinc/07/46/01/811074601.db2.gz QGFJFYQEMAHBCX-CABCVRRESA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367260 811074609 /nfs/dbraw/zinc/07/46/09/811074609.db2.gz QGFJFYQEMAHBCX-CABCVRRESA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H](O)C1 ZINC001220367260 811074618 /nfs/dbraw/zinc/07/46/18/811074618.db2.gz QGFJFYQEMAHBCX-CABCVRRESA-N 2 2 325.453 -0.225 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@@H+](C[C@@H](O)COC)C[C@H]21 ZINC001221626116 811502468 /nfs/dbraw/zinc/50/24/68/811502468.db2.gz QXWHGMOWBZXOLE-WCXIOVBPSA-N 2 2 335.448 -0.376 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@H]2CC[N@H+](C[C@@H](O)COC)C[C@H]21 ZINC001221626116 811502475 /nfs/dbraw/zinc/50/24/75/811502475.db2.gz QXWHGMOWBZXOLE-WCXIOVBPSA-N 2 2 335.448 -0.376 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001221626116 811502479 /nfs/dbraw/zinc/50/24/79/811502479.db2.gz QXWHGMOWBZXOLE-WCXIOVBPSA-N 2 2 335.448 -0.376 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CC[NH+](C[C@@H](O)COC)C[C@H]21 ZINC001221626116 811502486 /nfs/dbraw/zinc/50/24/86/811502486.db2.gz QXWHGMOWBZXOLE-WCXIOVBPSA-N 2 2 335.448 -0.376 20 30 EBEDLP COCC#CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3C[NH+](C)C[C@@H](C)O3)[C@@H]2C1 ZINC001221640186 811506566 /nfs/dbraw/zinc/50/65/66/811506566.db2.gz KINIEEIWSLBWRU-QBPKDAKJSA-N 2 2 335.448 -0.112 20 30 EBEDLP 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LXJKKQHMLJHQLM-GXTWGEPZSA-N 2 2 332.408 -0.143 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC001272584410 816486806 /nfs/dbraw/zinc/48/68/06/816486806.db2.gz NPZGLHWUVLHIIC-DOMZBBRYSA-N 2 2 348.451 -0.414 20 30 EBEDLP Cn1cc[nH+]c1CCC(=O)N1CCCC[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001272978986 816563371 /nfs/dbraw/zinc/56/33/71/816563371.db2.gz IZYSFAFCJSXSAH-CQSZACIVSA-N 2 2 346.435 -0.037 20 30 EBEDLP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001273615787 816706902 /nfs/dbraw/zinc/70/69/02/816706902.db2.gz LWNRQQSSCIOVFC-CHWSQXEVSA-N 2 2 332.408 -0.399 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C ZINC001274269542 816914979 /nfs/dbraw/zinc/91/49/79/816914979.db2.gz JPMXVQYIWYJSPC-NWDGAFQWSA-N 2 2 348.407 -0.600 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001274662977 817062515 /nfs/dbraw/zinc/06/25/15/817062515.db2.gz PWVWNEQWTNCXSB-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)C[C@H]1C ZINC001274662977 817062522 /nfs/dbraw/zinc/06/25/22/817062522.db2.gz PWVWNEQWTNCXSB-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001277079647 817518074 /nfs/dbraw/zinc/51/80/74/817518074.db2.gz JBRUXYUWYGQVSK-OLZOCXBDSA-N 2 2 332.404 -0.872 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCC(=O)NC2=O)CC1 ZINC001277079647 817518080 /nfs/dbraw/zinc/51/80/80/817518080.db2.gz JBRUXYUWYGQVSK-OLZOCXBDSA-N 2 2 332.404 -0.872 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](C1CC1)N(C)C(=O)Cn1cc[nH+]c1 ZINC001277736085 817630668 /nfs/dbraw/zinc/63/06/68/817630668.db2.gz WDYRYAHHEQLJDG-ZFWWWQNUSA-N 2 2 331.420 -0.152 20 30 EBEDLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1c[nH+]cn1C ZINC001277776846 817634936 /nfs/dbraw/zinc/63/49/36/817634936.db2.gz UQVDMXNFTYFFNJ-KBPBESRZSA-N 2 2 346.435 -0.038 20 30 EBEDLP CN(C)C(=O)C[N@@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001277939361 817660341 /nfs/dbraw/zinc/66/03/41/817660341.db2.gz PXTMRBZMYRSVAK-KBPBESRZSA-N 2 2 333.436 -0.499 20 30 EBEDLP CN(C)C(=O)C[N@H+]1C[C@@H]2C(=O)NC3(CC[NH+](CCC#N)CC3)[C@H]2C1 ZINC001277939361 817660345 /nfs/dbraw/zinc/66/03/45/817660345.db2.gz PXTMRBZMYRSVAK-KBPBESRZSA-N 2 2 333.436 -0.499 20 30 EBEDLP CC1(C)CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001278644140 817787224 /nfs/dbraw/zinc/78/72/24/817787224.db2.gz BWYROBNGJPVXRN-CYBMUJFWSA-N 2 2 332.408 -0.191 20 30 EBEDLP CC1(C)CN(C(=O)CCc2c[nH+]c[nH]2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001278644140 817787227 /nfs/dbraw/zinc/78/72/27/817787227.db2.gz BWYROBNGJPVXRN-CYBMUJFWSA-N 2 2 332.408 -0.191 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CC1(C)C ZINC001278673759 817791506 /nfs/dbraw/zinc/79/15/06/817791506.db2.gz VLUWZEUZKOFHTF-TZMCWYRMSA-N 2 2 331.420 -0.083 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@H+](C)CCO1 ZINC001281852586 818292721 /nfs/dbraw/zinc/29/27/21/818292721.db2.gz DDAKUQLEQLETQM-LSDHHAIUSA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001281852586 818292725 /nfs/dbraw/zinc/29/27/25/818292725.db2.gz DDAKUQLEQLETQM-LSDHHAIUSA-N 2 2 336.436 -0.963 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]CC1CC(NC(=O)Cc2c[nH]c[nH+]2)C1 ZINC001282065144 818353025 /nfs/dbraw/zinc/35/30/25/818353025.db2.gz DPUJLABFISLRSC-UHFFFAOYSA-N 2 2 348.407 -0.552 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749252 818413752 /nfs/dbraw/zinc/41/37/52/818413752.db2.gz NNQDXAINXSTMMU-IIAWOOMASA-N 2 2 348.447 -0.870 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2=O)C1 ZINC001094749252 818413756 /nfs/dbraw/zinc/41/37/56/818413756.db2.gz NNQDXAINXSTMMU-IIAWOOMASA-N 2 2 348.447 -0.870 20 30 EBEDLP C#CCNC(=O)C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001282450377 818432269 /nfs/dbraw/zinc/43/22/69/818432269.db2.gz OIFUSKNQUOJAMY-DZGCQCFKSA-N 2 2 345.447 -0.060 20 30 EBEDLP C#CCNC(=O)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCc2c[nH+]c(C)n2C1 ZINC001282450377 818432274 /nfs/dbraw/zinc/43/22/74/818432274.db2.gz OIFUSKNQUOJAMY-DZGCQCFKSA-N 2 2 345.447 -0.060 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@H+](CC(=O)NCC#N)CC1(C)C ZINC001282813129 818496254 /nfs/dbraw/zinc/49/62/54/818496254.db2.gz SWHDTFFHAHISMT-ZDUSSCGKSA-N 2 2 332.408 -0.342 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1C[N@@H+](CC(=O)NCC#N)CC1(C)C ZINC001282813129 818496260 /nfs/dbraw/zinc/49/62/60/818496260.db2.gz SWHDTFFHAHISMT-ZDUSSCGKSA-N 2 2 332.408 -0.342 20 30 EBEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)Cc3c[nH+]cn3C)CC2=O)C1 ZINC001094807335 818497550 /nfs/dbraw/zinc/49/75/50/818497550.db2.gz AVXLCYGXIIYVLA-CYBMUJFWSA-N 2 2 331.420 -0.060 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001283052153 818609684 /nfs/dbraw/zinc/60/96/84/818609684.db2.gz JTCIVZLEIMEZHM-KKUMJFAQSA-N 2 2 343.431 -0.321 20 30 EBEDLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001096283598 818779097 /nfs/dbraw/zinc/77/90/97/818779097.db2.gz NETAFRJTIUIOAG-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3ccnc(C#N)n3)CC2)C1 ZINC001096283598 818779104 /nfs/dbraw/zinc/77/91/04/818779104.db2.gz NETAFRJTIUIOAG-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)[C@@H]1C ZINC001283922720 819029761 /nfs/dbraw/zinc/02/97/61/819029761.db2.gz KEKXHZSFLHVMMY-VXGBXAGGSA-N 2 2 348.407 -0.457 20 30 EBEDLP COCC#CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001100045547 820115910 /nfs/dbraw/zinc/11/59/10/820115910.db2.gz BVUYLTVLEUNPGL-IRXDYDNUSA-N 2 2 337.464 -0.081 20 30 EBEDLP COCC#CC[N@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](O)C1 ZINC001100045547 820115913 /nfs/dbraw/zinc/11/59/13/820115913.db2.gz BVUYLTVLEUNPGL-IRXDYDNUSA-N 2 2 337.464 -0.081 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081269 820178148 /nfs/dbraw/zinc/17/81/48/820178148.db2.gz PRKSMGCLPGVJNG-HUUCEWRRSA-N 2 2 338.452 -0.981 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H](O)C1 ZINC001100081269 820178153 /nfs/dbraw/zinc/17/81/53/820178153.db2.gz PRKSMGCLPGVJNG-HUUCEWRRSA-N 2 2 338.452 -0.981 20 30 EBEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001100633625 820496083 /nfs/dbraw/zinc/49/60/83/820496083.db2.gz GNSZEXIHACJRDU-XUJLQICISA-N 2 2 331.420 -0.035 20 30 EBEDLP CC#CC[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001100633625 820496090 /nfs/dbraw/zinc/49/60/90/820496090.db2.gz GNSZEXIHACJRDU-XUJLQICISA-N 2 2 331.420 -0.035 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100935192 820611697 /nfs/dbraw/zinc/61/16/97/820611697.db2.gz QMRFYYHSGLWGBI-NFOMZHRRSA-N 2 2 345.447 -0.025 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317117 820753034 /nfs/dbraw/zinc/75/30/34/820753034.db2.gz IXHOAGMMTDDVLN-QAPCUYQASA-N 2 2 343.431 -0.197 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)CCn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101317117 820753041 /nfs/dbraw/zinc/75/30/41/820753041.db2.gz IXHOAGMMTDDVLN-QAPCUYQASA-N 2 2 343.431 -0.197 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1C ZINC001296079543 821203968 /nfs/dbraw/zinc/20/39/68/821203968.db2.gz BUKGBBLPNAEUSR-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCNC(=O)Cn1cc[nH+]c1C ZINC001296079543 821203975 /nfs/dbraw/zinc/20/39/75/821203975.db2.gz BUKGBBLPNAEUSR-HNNXBMFYSA-N 2 2 331.420 -0.136 20 30 EBEDLP C=CCOCC[NH2+]Cc1cn(C2CN(C(=O)Cn3cc[nH+]c3)C2)nn1 ZINC001105383345 821736056 /nfs/dbraw/zinc/73/60/56/821736056.db2.gz XCRQXBFPWJTPML-UHFFFAOYSA-N 2 2 345.407 -0.150 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1 ZINC001316633131 821822605 /nfs/dbraw/zinc/82/26/05/821822605.db2.gz LFQCHTRPSNDKRI-KKUMJFAQSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761147 821848146 /nfs/dbraw/zinc/84/81/46/821848146.db2.gz RKYRUVDIOIQAIE-CVEARBPZSA-N 2 2 343.431 -0.279 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@@H]2C1 ZINC001316761147 821848155 /nfs/dbraw/zinc/84/81/55/821848155.db2.gz RKYRUVDIOIQAIE-CVEARBPZSA-N 2 2 343.431 -0.279 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)Cn2cc[nH+]c2)CC1 ZINC001316938222 821925290 /nfs/dbraw/zinc/92/52/90/821925290.db2.gz RCERJYORGKROKD-AWEZNQCLSA-N 2 2 331.420 -0.056 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942675 821926113 /nfs/dbraw/zinc/92/61/13/821926113.db2.gz BUGFRTVDBBJUFH-HUUCEWRRSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942675 821926116 /nfs/dbraw/zinc/92/61/16/821926116.db2.gz BUGFRTVDBBJUFH-HUUCEWRRSA-N 2 2 331.420 -0.090 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N[C@@H]1CC12CC[NH+](CC(=O)NCC#N)CC2 ZINC001317008352 821971746 /nfs/dbraw/zinc/97/17/46/821971746.db2.gz WMXJJTIGEOFXDU-CQSZACIVSA-N 2 2 344.419 -0.427 20 30 EBEDLP C#CCNC(=O)C[N@@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317380638 822097215 /nfs/dbraw/zinc/09/72/15/822097215.db2.gz FUDPUBARSAVUSK-AWEZNQCLSA-N 2 2 331.420 -0.067 20 30 EBEDLP C#CCNC(=O)C[N@H+](C)[C@H]1CCCN(C(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001317380638 822097225 /nfs/dbraw/zinc/09/72/25/822097225.db2.gz FUDPUBARSAVUSK-AWEZNQCLSA-N 2 2 331.420 -0.067 20 30 EBEDLP C[C@H](CCNC(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NCC#N ZINC001317397819 822099919 /nfs/dbraw/zinc/09/99/19/822099919.db2.gz LMLYLFNCTFJSGZ-OLZOCXBDSA-N 2 2 332.408 -0.430 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108806327 824439806 /nfs/dbraw/zinc/43/98/06/824439806.db2.gz QUSDOHYWFAIUDQ-KKUMJFAQSA-N 2 2 343.431 -0.021 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC ZINC001109414794 824536174 /nfs/dbraw/zinc/53/61/74/824536174.db2.gz LQQSFQGILIKUDQ-NRKLIOEPSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC ZINC001109414794 824536178 /nfs/dbraw/zinc/53/61/78/824536178.db2.gz LQQSFQGILIKUDQ-NRKLIOEPSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COC ZINC001109414794 824536181 /nfs/dbraw/zinc/53/61/81/824536181.db2.gz LQQSFQGILIKUDQ-NRKLIOEPSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COC ZINC001109414794 824536185 /nfs/dbraw/zinc/53/61/85/824536185.db2.gz LQQSFQGILIKUDQ-NRKLIOEPSA-N 2 2 335.448 -0.187 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1C[C@H]1c1c[nH]c[nH+]1 ZINC001129900274 828691173 /nfs/dbraw/zinc/69/11/73/828691173.db2.gz DICVLFGUKUEFLV-IJLUTSLNSA-N 2 2 348.407 -0.381 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COC ZINC001110678994 824769646 /nfs/dbraw/zinc/76/96/46/824769646.db2.gz LQQSFQGILIKUDQ-MTSZKFMLSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2C[C@@H](O)COC ZINC001110678994 824769648 /nfs/dbraw/zinc/76/96/48/824769648.db2.gz LQQSFQGILIKUDQ-MTSZKFMLSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COC ZINC001110678994 824769651 /nfs/dbraw/zinc/76/96/51/824769651.db2.gz LQQSFQGILIKUDQ-MTSZKFMLSA-N 2 2 335.448 -0.187 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH+]2C[C@@H](O)COC ZINC001110678994 824769656 /nfs/dbraw/zinc/76/96/56/824769656.db2.gz LQQSFQGILIKUDQ-MTSZKFMLSA-N 2 2 335.448 -0.187 20 30 EBEDLP C=CCOCC[NH2+][C@@H]1CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1n1ccnn1 ZINC001130150802 828739629 /nfs/dbraw/zinc/73/96/29/828739629.db2.gz AGIHZZXUQQVUBB-CABCVRRESA-N 2 2 345.407 -0.281 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC001111678803 825261854 /nfs/dbraw/zinc/26/18/54/825261854.db2.gz VXGWPEKWUMGGTJ-DAYGRLMNSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001111678803 825261863 /nfs/dbraw/zinc/26/18/63/825261863.db2.gz VXGWPEKWUMGGTJ-DAYGRLMNSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678803 825261873 /nfs/dbraw/zinc/26/18/73/825261873.db2.gz VXGWPEKWUMGGTJ-DAYGRLMNSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001111678803 825261884 /nfs/dbraw/zinc/26/18/84/825261884.db2.gz VXGWPEKWUMGGTJ-DAYGRLMNSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@@H+](C)CC)n[nH]1 ZINC001130247119 828765674 /nfs/dbraw/zinc/76/56/74/828765674.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 2 348.451 -0.142 20 30 EBEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)CC[N@H+](C)CC)n[nH]1 ZINC001130247119 828765677 /nfs/dbraw/zinc/76/56/77/828765677.db2.gz VTZKFWOINOTOLT-KBPBESRZSA-N 2 2 348.451 -0.142 20 30 EBEDLP C=CCN1CC[C@H]([NH2+]CCNC(=O)[C@H]2CCn3c[nH+]cc3C2)C1=O ZINC001130404989 828820143 /nfs/dbraw/zinc/82/01/43/828820143.db2.gz ULTHLUGRHHPFGD-ZFWWWQNUSA-N 2 2 331.420 -0.062 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114421003 826241495 /nfs/dbraw/zinc/24/14/95/826241495.db2.gz LQFAPVVEQWRIDF-VVLHAWIVSA-N 2 2 344.459 -0.343 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114421003 826241498 /nfs/dbraw/zinc/24/14/98/826241498.db2.gz LQFAPVVEQWRIDF-VVLHAWIVSA-N 2 2 344.459 -0.343 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114421003 826241502 /nfs/dbraw/zinc/24/15/02/826241502.db2.gz LQFAPVVEQWRIDF-VVLHAWIVSA-N 2 2 344.459 -0.343 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CCNC(=O)C3CC3)C[C@H]21 ZINC001114421003 826241505 /nfs/dbraw/zinc/24/15/05/826241505.db2.gz LQFAPVVEQWRIDF-VVLHAWIVSA-N 2 2 344.459 -0.343 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114422211 826242094 /nfs/dbraw/zinc/24/20/94/826242094.db2.gz WUDWECQZMWMFBY-UIBIWLFHSA-N 2 2 346.475 -0.097 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114422211 826242099 /nfs/dbraw/zinc/24/20/99/826242099.db2.gz WUDWECQZMWMFBY-UIBIWLFHSA-N 2 2 346.475 -0.097 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114422211 826242104 /nfs/dbraw/zinc/24/21/04/826242104.db2.gz WUDWECQZMWMFBY-UIBIWLFHSA-N 2 2 346.475 -0.097 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)NCC(C)C)C[C@H]21 ZINC001114422211 826242106 /nfs/dbraw/zinc/24/21/06/826242106.db2.gz WUDWECQZMWMFBY-UIBIWLFHSA-N 2 2 346.475 -0.097 20 30 EBEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114740042 826330362 /nfs/dbraw/zinc/33/03/62/826330362.db2.gz ZZRLEEXDWKYPJV-NHAGDIPZSA-N 2 2 345.403 -0.359 20 30 EBEDLP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21 ZINC001114740042 826330368 /nfs/dbraw/zinc/33/03/68/826330368.db2.gz ZZRLEEXDWKYPJV-NHAGDIPZSA-N 2 2 345.403 -0.359 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114895212 826366832 /nfs/dbraw/zinc/36/68/32/826366832.db2.gz STQOEDCAJCFUEI-SZOQZIPDSA-N 2 2 329.404 -0.370 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001114895212 826366837 /nfs/dbraw/zinc/36/68/37/826366837.db2.gz STQOEDCAJCFUEI-SZOQZIPDSA-N 2 2 329.404 -0.370 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115342464 826515105 /nfs/dbraw/zinc/51/51/05/826515105.db2.gz YEXZXCKOIUGYBO-AIANPOQGSA-N 2 2 343.431 -0.152 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CCCn1cc[nH+]c1 ZINC001115342464 826515109 /nfs/dbraw/zinc/51/51/09/826515109.db2.gz YEXZXCKOIUGYBO-AIANPOQGSA-N 2 2 343.431 -0.152 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001182996813 833273170 /nfs/dbraw/zinc/27/31/70/833273170.db2.gz HLJGZRUMZANURM-CXAGYDPISA-N 2 2 331.420 -0.224 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@]1(C)CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001183165281 833282587 /nfs/dbraw/zinc/28/25/87/833282587.db2.gz VHFFVZOLGCNOGA-RDTXWAMCSA-N 2 2 345.447 -0.214 20 30 EBEDLP C=CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001183772611 833306175 /nfs/dbraw/zinc/30/61/75/833306175.db2.gz IRFIASJEIGLRJW-UONOGXRCSA-N 2 2 331.420 -0.062 20 30 EBEDLP C[C@@H]1CN(c2cccc[nH+]2)C[C@H]1C(=O)NCC[NH2+]CC(=O)NCC#N ZINC001127547314 828301423 /nfs/dbraw/zinc/30/14/23/828301423.db2.gz IRGYYVGAGKKDRI-ZIAGYGMSSA-N 2 2 344.419 -0.501 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001184492404 833331706 /nfs/dbraw/zinc/33/17/06/833331706.db2.gz RQHSUTCCRAJATQ-ZIAGYGMSSA-N 2 2 331.420 -0.319 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C ZINC001185207238 833350094 /nfs/dbraw/zinc/35/00/94/833350094.db2.gz XBDSPGXRHJKFHG-UONOGXRCSA-N 2 2 331.420 -0.224 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001132178590 829371039 /nfs/dbraw/zinc/37/10/39/829371039.db2.gz SNKSOPRWJJSLEF-TZMCWYRMSA-N 2 2 332.408 -0.200 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001132178590 829371052 /nfs/dbraw/zinc/37/10/52/829371052.db2.gz SNKSOPRWJJSLEF-TZMCWYRMSA-N 2 2 332.408 -0.200 20 30 EBEDLP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132264868 829401169 /nfs/dbraw/zinc/40/11/69/829401169.db2.gz DBHHPEYDXSTJHF-DZGCQCFKSA-N 2 2 335.452 -0.063 20 30 EBEDLP C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132264868 829401175 /nfs/dbraw/zinc/40/11/75/829401175.db2.gz DBHHPEYDXSTJHF-DZGCQCFKSA-N 2 2 335.452 -0.063 20 30 EBEDLP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132265821 829401462 /nfs/dbraw/zinc/40/14/62/829401462.db2.gz TXAXYIYZTQPUPI-KGLIPLIRSA-N 2 2 335.452 -0.063 20 30 EBEDLP C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132265821 829401466 /nfs/dbraw/zinc/40/14/66/829401466.db2.gz TXAXYIYZTQPUPI-KGLIPLIRSA-N 2 2 335.452 -0.063 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425581 829454200 /nfs/dbraw/zinc/45/42/00/829454200.db2.gz JMMAOCDGKYNFKK-GJZGRUSLSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C ZINC001132425581 829454206 /nfs/dbraw/zinc/45/42/06/829454206.db2.gz JMMAOCDGKYNFKK-GJZGRUSLSA-N 2 2 332.448 -0.199 20 30 EBEDLP C[C@@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133195412 829603970 /nfs/dbraw/zinc/60/39/70/829603970.db2.gz QEKVNSIOMKZKAG-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001146584671 830210729 /nfs/dbraw/zinc/21/07/29/830210729.db2.gz UGZCRCSYTROEAB-ZIAGYGMSSA-N 2 2 347.467 -0.072 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755336 830536097 /nfs/dbraw/zinc/53/60/97/830536097.db2.gz VJAVHGZCPIPCIN-AWEZNQCLSA-N 2 2 343.431 -0.136 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC2(CN(C(=O)Cn3cc[nH+]c3C)C2)C1 ZINC001148755336 830536104 /nfs/dbraw/zinc/53/61/04/830536104.db2.gz VJAVHGZCPIPCIN-AWEZNQCLSA-N 2 2 343.431 -0.136 20 30 EBEDLP C=CCOCc1nn(C)c2c1CN(C(=O)[C@@]13C[NH2+]C[C@H]1CC[NH2+]3)CC2 ZINC001159382021 831749339 /nfs/dbraw/zinc/74/93/39/831749339.db2.gz LEYMGYVCODPIPA-FZKQIMNGSA-N 2 2 345.447 -0.041 20 30 EBEDLP N#Cc1ccc(N2CCCN(C(=O)[C@@H]3C[C@H]4C[NH2+]C[C@H]4[NH2+]3)CC2)nc1 ZINC001160603946 831870136 /nfs/dbraw/zinc/87/01/36/831870136.db2.gz ZKQWZYWEGUAKBW-HRCADAONSA-N 2 2 340.431 -0.058 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274820 832094979 /nfs/dbraw/zinc/09/49/79/832094979.db2.gz HENRMOVMZLUIAQ-OAHLLOKOSA-N 2 2 338.452 -0.667 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274820 832094980 /nfs/dbraw/zinc/09/49/80/832094980.db2.gz HENRMOVMZLUIAQ-OAHLLOKOSA-N 2 2 338.452 -0.667 20 30 EBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCC[N@H+]1CCCC ZINC001163274835 832095075 /nfs/dbraw/zinc/09/50/75/832095075.db2.gz HVOKEYUTUYIXDP-OAHLLOKOSA-N 2 2 340.468 -0.115 20 30 EBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H]1COCC[N@@H+]1CCCC ZINC001163274835 832095079 /nfs/dbraw/zinc/09/50/79/832095079.db2.gz HVOKEYUTUYIXDP-OAHLLOKOSA-N 2 2 340.468 -0.115 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC1(CCNC(=O)CCn2cc[nH+]c2)CC1 ZINC001166474576 832263739 /nfs/dbraw/zinc/26/37/39/832263739.db2.gz RBAHFZGAZSQTFB-UHFFFAOYSA-N 2 2 332.408 -0.211 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1c[nH]c[nH+]1 ZINC001167349544 832329826 /nfs/dbraw/zinc/32/98/26/832329826.db2.gz AFEDXDVLEFXMTR-NSHDSACASA-N 2 2 336.396 -0.552 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1(CCNC(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001167532596 832350892 /nfs/dbraw/zinc/35/08/92/832350892.db2.gz UZTPICDIZVDAMQ-CYBMUJFWSA-N 2 2 331.420 -0.034 20 30 EBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@H](C1CC1)[NH+]1CCOCC1 ZINC001176675508 832686790 /nfs/dbraw/zinc/68/67/90/832686790.db2.gz IZJSETYLTJEXHO-INIZCTEOSA-N 2 2 338.452 -0.505 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415067 832780669 /nfs/dbraw/zinc/78/06/69/832780669.db2.gz MHZZIIJHNZBLPF-GFCCVEGCSA-N 2 2 336.396 -0.621 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117784 834126959 /nfs/dbraw/zinc/12/69/59/834126959.db2.gz MKFUMCGIMRGTJU-OWCLPIDISA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117784 834126963 /nfs/dbraw/zinc/12/69/63/834126963.db2.gz MKFUMCGIMRGTJU-OWCLPIDISA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117784 834126966 /nfs/dbraw/zinc/12/69/66/834126966.db2.gz MKFUMCGIMRGTJU-OWCLPIDISA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001189117784 834126970 /nfs/dbraw/zinc/12/69/70/834126970.db2.gz MKFUMCGIMRGTJU-OWCLPIDISA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189954103 834211911 /nfs/dbraw/zinc/21/19/11/834211911.db2.gz QTQOUUDXPJATCP-IJEWVQPXSA-N 2 2 343.431 -0.069 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)Cc3[nH]c[nH+]c3C)[C@@H]2C1 ZINC001189954103 834211916 /nfs/dbraw/zinc/21/19/16/834211916.db2.gz QTQOUUDXPJATCP-IJEWVQPXSA-N 2 2 343.431 -0.069 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195700809 835274924 /nfs/dbraw/zinc/27/49/24/835274924.db2.gz IIDIJFRVTCQLPK-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C2)C1=O ZINC001195700809 835274931 /nfs/dbraw/zinc/27/49/31/835274931.db2.gz IIDIJFRVTCQLPK-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955023 835625151 /nfs/dbraw/zinc/62/51/51/835625151.db2.gz KNELQCIXXVDHDL-RRFJBIMHSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001197955023 835625154 /nfs/dbraw/zinc/62/51/54/835625154.db2.gz KNELQCIXXVDHDL-RRFJBIMHSA-N 2 2 338.452 -0.983 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)CCn2cc[nH+]c2)CCCO1 ZINC001201104320 836095149 /nfs/dbraw/zinc/09/51/49/836095149.db2.gz MZKUTPAAZCNRME-HNNXBMFYSA-N 2 2 349.435 -0.218 20 30 EBEDLP 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C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221790701 811536566 /nfs/dbraw/zinc/53/65/66/811536566.db2.gz WHBDPMAZOXFOIZ-HUUCEWRRSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+]1CCC(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221790701 811536573 /nfs/dbraw/zinc/53/65/73/811536573.db2.gz WHBDPMAZOXFOIZ-HUUCEWRRSA-N 2 2 333.436 -0.499 20 30 EBEDLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001221793280 811537056 /nfs/dbraw/zinc/53/70/56/811537056.db2.gz ZCJKNCCKTZOEJY-IIAWOOMASA-N 2 2 335.452 -0.255 20 30 EBEDLP CC(C)[C@H](C(=O)N1C[C@H]2CC[N@@H+](CC(=O)NCC#N)C[C@H]21)[NH+](C)C ZINC001221793280 811537060 /nfs/dbraw/zinc/53/70/60/811537060.db2.gz ZCJKNCCKTZOEJY-IIAWOOMASA-N 2 2 335.452 -0.255 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC#C)CC1 ZINC001227849404 811945409 /nfs/dbraw/zinc/94/54/09/811945409.db2.gz SCZDSJUSQXAMRL-INIZCTEOSA-N 2 2 330.432 -0.586 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2CC#C)CC1 ZINC001227849404 811945413 /nfs/dbraw/zinc/94/54/13/811945413.db2.gz SCZDSJUSQXAMRL-INIZCTEOSA-N 2 2 330.432 -0.586 20 30 EBEDLP C[NH+](C)CC#CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001256585247 812735365 /nfs/dbraw/zinc/73/53/65/812735365.db2.gz OZFRMRNSNLJRFJ-KRWDZBQOSA-N 2 2 338.452 -0.534 20 30 EBEDLP C[NH+](C)CC#CCNC(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001256585247 812735367 /nfs/dbraw/zinc/73/53/67/812735367.db2.gz OZFRMRNSNLJRFJ-KRWDZBQOSA-N 2 2 338.452 -0.534 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001264426305 813174949 /nfs/dbraw/zinc/17/49/49/813174949.db2.gz YPJXBQHWDIYXQW-IHRRRGAJSA-N 2 2 344.419 -0.430 20 30 EBEDLP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001266368924 813554280 /nfs/dbraw/zinc/55/42/80/813554280.db2.gz OGICLKLKDPDLRF-HZPDHXFCSA-N 2 2 335.448 -0.063 20 30 EBEDLP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001266368924 813554288 /nfs/dbraw/zinc/55/42/88/813554288.db2.gz OGICLKLKDPDLRF-HZPDHXFCSA-N 2 2 335.448 -0.063 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001266393900 813557597 /nfs/dbraw/zinc/55/75/97/813557597.db2.gz BPPMKBIIXXCQLY-HOTGVXAUSA-N 2 2 332.448 -0.340 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+](CC)CCNC(=O)[C@@H]1CCC[NH+]1CC#C ZINC001266393900 813557600 /nfs/dbraw/zinc/55/76/00/813557600.db2.gz BPPMKBIIXXCQLY-HOTGVXAUSA-N 2 2 332.448 -0.340 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001266393900 813557603 /nfs/dbraw/zinc/55/76/03/813557603.db2.gz BPPMKBIIXXCQLY-HOTGVXAUSA-N 2 2 332.448 -0.340 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+](CC)CCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001266393900 813557607 /nfs/dbraw/zinc/55/76/07/813557607.db2.gz BPPMKBIIXXCQLY-HOTGVXAUSA-N 2 2 332.448 -0.340 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266940652 813704728 /nfs/dbraw/zinc/70/47/28/813704728.db2.gz HVGDNFWKCCYUMU-ZDUSSCGKSA-N 2 2 331.420 -0.394 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267116366 813763173 /nfs/dbraw/zinc/76/31/73/813763173.db2.gz GLZDNFCCTAEEIW-CABCVRRESA-N 2 2 331.420 -0.056 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267116366 813763177 /nfs/dbraw/zinc/76/31/77/813763177.db2.gz GLZDNFCCTAEEIW-CABCVRRESA-N 2 2 331.420 -0.056 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267277478 813816606 /nfs/dbraw/zinc/81/66/06/813816606.db2.gz ZAESXSVRGXVNEV-LSDHHAIUSA-N 2 2 331.420 -0.008 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267277478 813816612 /nfs/dbraw/zinc/81/66/12/813816612.db2.gz ZAESXSVRGXVNEV-LSDHHAIUSA-N 2 2 331.420 -0.008 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267277476 813818177 /nfs/dbraw/zinc/81/81/77/813818177.db2.gz ZAESXSVRGXVNEV-GJZGRUSLSA-N 2 2 331.420 -0.008 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1 ZINC001267277476 813818190 /nfs/dbraw/zinc/81/81/90/813818190.db2.gz ZAESXSVRGXVNEV-GJZGRUSLSA-N 2 2 331.420 -0.008 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)N(C)CC)C2)CC1 ZINC001267701339 813996402 /nfs/dbraw/zinc/99/64/02/813996402.db2.gz PVYKADLOZMLHFY-UHFFFAOYSA-N 2 2 334.464 -0.142 20 30 EBEDLP C[C@@H](CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C[NH2+]CC(=O)NCC#N ZINC001267990607 814084849 /nfs/dbraw/zinc/08/48/49/814084849.db2.gz KOCZPAYDFYAAJZ-OLZOCXBDSA-N 2 2 332.408 -0.573 20 30 EBEDLP C[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)[C@H]1C[NH2+]CC(=O)NCC#N ZINC001268189962 814142641 /nfs/dbraw/zinc/14/26/41/814142641.db2.gz BLRBOWIXWZOBHL-OCCSQVGLSA-N 2 2 332.408 -0.191 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269553 814168793 /nfs/dbraw/zinc/16/87/93/814168793.db2.gz MSQQXIBCVBXOOS-UKRRQHHQSA-N 2 2 344.419 -0.475 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269553 814168796 /nfs/dbraw/zinc/16/87/96/814168796.db2.gz MSQQXIBCVBXOOS-UKRRQHHQSA-N 2 2 344.419 -0.475 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269517 814168878 /nfs/dbraw/zinc/16/88/78/814168878.db2.gz MSQQXIBCVBXOOS-DZGCQCFKSA-N 2 2 344.419 -0.475 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269517 814168881 /nfs/dbraw/zinc/16/88/81/814168881.db2.gz MSQQXIBCVBXOOS-DZGCQCFKSA-N 2 2 344.419 -0.475 20 30 EBEDLP C#CCNC(=O)C[NH2+]C/C=C/CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001268541947 814282055 /nfs/dbraw/zinc/28/20/55/814282055.db2.gz KNJRWZXTNNFFBF-SNAWJCMRSA-N 2 2 343.431 -0.227 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083536010 814535720 /nfs/dbraw/zinc/53/57/20/814535720.db2.gz ZBEWXBNJESKQMR-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2ccnn2C)C[C@@H]1O ZINC001083536010 814535726 /nfs/dbraw/zinc/53/57/26/814535726.db2.gz ZBEWXBNJESKQMR-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083536010 814535729 /nfs/dbraw/zinc/53/57/29/814535729.db2.gz ZBEWXBNJESKQMR-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2ccnn2C)C[C@@H]1O ZINC001083536010 814535734 /nfs/dbraw/zinc/53/57/34/814535734.db2.gz ZBEWXBNJESKQMR-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001269428685 814688531 /nfs/dbraw/zinc/68/85/31/814688531.db2.gz REDJTFXQZUIBJX-GJZGRUSLSA-N 2 2 332.448 -0.057 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H]2CCN(CC)C2=O)CC1 ZINC001269428685 814688535 /nfs/dbraw/zinc/68/85/35/814688535.db2.gz REDJTFXQZUIBJX-GJZGRUSLSA-N 2 2 332.448 -0.057 20 30 EBEDLP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001271502158 816124231 /nfs/dbraw/zinc/12/42/31/816124231.db2.gz ZINYVRVLHLIZTN-OLZOCXBDSA-N 2 2 332.408 -0.191 20 30 EBEDLP C[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001271502158 816124233 /nfs/dbraw/zinc/12/42/33/816124233.db2.gz ZINYVRVLHLIZTN-OLZOCXBDSA-N 2 2 332.408 -0.191 20 30 EBEDLP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)NCC#N ZINC001271903661 816247205 /nfs/dbraw/zinc/24/72/05/816247205.db2.gz VXTBURFKCGUGIK-MCIONIFRSA-N 2 2 346.435 -0.106 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001272034665 816295415 /nfs/dbraw/zinc/29/54/15/816295415.db2.gz PQVYQQGVFVURGI-GJZGRUSLSA-N 2 2 329.404 -0.233 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)Cc1c[nH+]c[nH]1 ZINC001272034665 816295420 /nfs/dbraw/zinc/29/54/20/816295420.db2.gz PQVYQQGVFVURGI-GJZGRUSLSA-N 2 2 329.404 -0.233 20 30 EBEDLP Cc1c[nH+]c2cc(C(=O)N[C@H](C)C[NH2+]CC(=O)NCC#N)ccn12 ZINC001274752476 817082719 /nfs/dbraw/zinc/08/27/19/817082719.db2.gz DDAGTUSYRDSZSZ-LLVKDONJSA-N 2 2 328.376 -0.010 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001276380613 817393735 /nfs/dbraw/zinc/39/37/35/817393735.db2.gz BCQZOOHHKUPACK-CWRNSKLLSA-N 2 2 334.464 -0.097 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC([C@H](C)NC(=O)[C@H]2CC[N@@H+](C)[C@@H]2CC)C1 ZINC001276380613 817393744 /nfs/dbraw/zinc/39/37/44/817393744.db2.gz BCQZOOHHKUPACK-CWRNSKLLSA-N 2 2 334.464 -0.097 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001276701748 817454850 /nfs/dbraw/zinc/45/48/50/817454850.db2.gz WELGUPDCUKFJQI-FPCVCCKLSA-N 2 2 343.431 -0.295 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2[C@@H](CNC(=O)CCn3cc[nH+]c3)[C@@H]2C1 ZINC001276701748 817454859 /nfs/dbraw/zinc/45/48/59/817454859.db2.gz WELGUPDCUKFJQI-FPCVCCKLSA-N 2 2 343.431 -0.295 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1(CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CC1 ZINC001277176974 817528483 /nfs/dbraw/zinc/52/84/83/817528483.db2.gz GJPKDRGHQPJQDT-MGPQQGTHSA-N 2 2 343.431 -0.100 20 30 EBEDLP C[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)Cc1c[nH+]cn1C ZINC001277777599 817635090 /nfs/dbraw/zinc/63/50/90/817635090.db2.gz WVFZWHOCWHPXQW-STQMWFEESA-N 2 2 332.408 -0.429 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001278767306 817815420 /nfs/dbraw/zinc/81/54/20/817815420.db2.gz FZLAOROJRPRTKE-CVEARBPZSA-N 2 2 345.447 -0.208 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1ncc(C)cn1 ZINC001278767306 817815428 /nfs/dbraw/zinc/81/54/28/817815428.db2.gz FZLAOROJRPRTKE-CVEARBPZSA-N 2 2 345.447 -0.208 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ocnc1C ZINC001279730853 817976002 /nfs/dbraw/zinc/97/60/02/817976002.db2.gz HFICCYWDPGQXTG-HNNXBMFYSA-N 2 2 334.420 -0.009 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1ocnc1C ZINC001279730853 817976011 /nfs/dbraw/zinc/97/60/11/817976011.db2.gz HFICCYWDPGQXTG-HNNXBMFYSA-N 2 2 334.420 -0.009 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001281266136 818116448 /nfs/dbraw/zinc/11/64/48/818116448.db2.gz LEFVLDXGAGNAND-ZDUSSCGKSA-N 2 2 349.435 -0.102 20 30 EBEDLP C=CCOCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001281800128 818281265 /nfs/dbraw/zinc/28/12/65/818281265.db2.gz USCWROXWMYAVAC-OAHLLOKOSA-N 2 2 341.452 -0.537 20 30 EBEDLP C=CCOCC[NH+]1CCC(CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001281800128 818281271 /nfs/dbraw/zinc/28/12/71/818281271.db2.gz USCWROXWMYAVAC-OAHLLOKOSA-N 2 2 341.452 -0.537 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2=O)C1 ZINC001094783811 818462944 /nfs/dbraw/zinc/46/29/44/818462944.db2.gz XKUFVGMBPDHKHU-GJZGRUSLSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2=O)C1 ZINC001094783811 818462946 /nfs/dbraw/zinc/46/29/46/818462946.db2.gz XKUFVGMBPDHKHU-GJZGRUSLSA-N 2 2 332.448 -0.105 20 30 EBEDLP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001282972585 818555890 /nfs/dbraw/zinc/55/58/90/818555890.db2.gz LWYRLTJUBAOXCV-AWEZNQCLSA-N 2 2 335.452 -0.109 20 30 EBEDLP CC[C@@H](C(=O)N1CC2(C1)CCC[N@@H+](CC(=O)NCC#N)C2)[NH+](C)C ZINC001282972585 818555895 /nfs/dbraw/zinc/55/58/95/818555895.db2.gz LWYRLTJUBAOXCV-AWEZNQCLSA-N 2 2 335.452 -0.109 20 30 EBEDLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001096283655 818778903 /nfs/dbraw/zinc/77/89/03/818778903.db2.gz OATNNVWSMDPAPO-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cncc(C#N)n3)CC2)C1 ZINC001096283655 818778908 /nfs/dbraw/zinc/77/89/08/818778908.db2.gz OATNNVWSMDPAPO-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP C[NH+](C)CCCC(=O)NCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC001096297397 818790815 /nfs/dbraw/zinc/79/08/15/818790815.db2.gz DQZSAEXCNUGNFR-UHFFFAOYSA-N 2 2 345.451 -0.072 20 30 EBEDLP C[C@@H](CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1)[NH2+]CC(=O)NCC#N ZINC001283628859 818887922 /nfs/dbraw/zinc/88/79/22/818887922.db2.gz AFJVPFGDLASXOD-STQMWFEESA-N 2 2 332.408 -0.478 20 30 EBEDLP 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ZINC001270854416 815915752 /nfs/dbraw/zinc/91/57/52/815915752.db2.gz SACDFNGSOPICTB-RHSMWYFYSA-N 2 2 331.420 -0.151 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]C[C@H](C)N(C)C(=O)Cc1c[nH+]c[nH]1 ZINC001271121533 815993330 /nfs/dbraw/zinc/99/33/30/815993330.db2.gz OYZNFPHNNHCVOB-NSHDSACASA-N 2 2 336.396 -0.600 20 30 EBEDLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)CC[C@@H]1[NH2+]CC(=O)NCC#N ZINC001271417578 816100746 /nfs/dbraw/zinc/10/07/46/816100746.db2.gz RTBMTSAIWWRBJS-KGLIPLIRSA-N 2 2 332.408 -0.260 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@@H+]2[C@H]2CCNC2=O)CC1 ZINC001085987002 816201918 /nfs/dbraw/zinc/20/19/18/816201918.db2.gz RIVLBOVTSGLAEW-HOTGVXAUSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@@H]2CC[N@H+]2[C@H]2CCNC2=O)CC1 ZINC001085987002 816201922 /nfs/dbraw/zinc/20/19/22/816201922.db2.gz RIVLBOVTSGLAEW-HOTGVXAUSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2[C@@H]2CCNC2=O)CC1 ZINC001085987003 816202457 /nfs/dbraw/zinc/20/24/57/816202457.db2.gz RIVLBOVTSGLAEW-HZPDHXFCSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2[C@@H]2CCNC2=O)CC1 ZINC001085987003 816202462 /nfs/dbraw/zinc/20/24/62/816202462.db2.gz RIVLBOVTSGLAEW-HZPDHXFCSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@H]2C1 ZINC001271880310 816243114 /nfs/dbraw/zinc/24/31/14/816243114.db2.gz LCDQLQWJNHNCLV-MCIONIFRSA-N 2 2 329.404 -0.520 20 30 EBEDLP CC(C)(C(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001271892836 816246532 /nfs/dbraw/zinc/24/65/32/816246532.db2.gz XEUCBPAFNKXIFO-BETUJISGSA-N 2 2 344.419 -0.283 20 30 EBEDLP CC(C)(C(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)C[C@@H]2C1)c1c[nH+]c[nH]1 ZINC001271892836 816246536 /nfs/dbraw/zinc/24/65/36/816246536.db2.gz XEUCBPAFNKXIFO-BETUJISGSA-N 2 2 344.419 -0.283 20 30 EBEDLP CC(C)[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]CC(=O)NCC#N ZINC001271903671 816247442 /nfs/dbraw/zinc/24/74/42/816247442.db2.gz VXTBURFKCGUGIK-MGPQQGTHSA-N 2 2 346.435 -0.106 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@](CO)(NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001271983128 816281815 /nfs/dbraw/zinc/28/18/15/816281815.db2.gz PWIGWEIIRKFJDE-WMLDXEAASA-N 2 2 340.468 -0.428 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001272225581 816359788 /nfs/dbraw/zinc/35/97/88/816359788.db2.gz QCPLOHAXTVVPAH-ZIAGYGMSSA-N 2 2 329.404 -0.376 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@H]21 ZINC001272225581 816359802 /nfs/dbraw/zinc/35/98/02/816359802.db2.gz QCPLOHAXTVVPAH-ZIAGYGMSSA-N 2 2 329.404 -0.376 20 30 EBEDLP C=CCN1C(=O)C[C@]2(CCC[N@H+](CC(=O)N3CC[NH+](C)CC3)C2)C1=O ZINC001273835862 816779668 /nfs/dbraw/zinc/77/96/68/816779668.db2.gz KXNFWWOPRYFLPD-SFHVURJKSA-N 2 2 348.447 -0.213 20 30 EBEDLP C#CCOC[C@H](O)C[N@@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274553763 817001408 /nfs/dbraw/zinc/00/14/08/817001408.db2.gz AEFFUQBGUQGZJM-SJLPKXTDSA-N 2 2 346.431 -0.039 20 30 EBEDLP C#CCOC[C@H](O)C[N@H+]1CCC[C@]12CCN(CCn1cc[nH+]c1)C2=O ZINC001274553763 817001416 /nfs/dbraw/zinc/00/14/16/817001416.db2.gz AEFFUQBGUQGZJM-SJLPKXTDSA-N 2 2 346.431 -0.039 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@@H+](C)CC(=O)NCC#N ZINC001275168495 817159067 /nfs/dbraw/zinc/15/90/67/817159067.db2.gz YBPHPFJLOVTYJL-CQSZACIVSA-N 2 2 332.408 -0.246 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N1CCC[C@@H]1C[N@H+](C)CC(=O)NCC#N ZINC001275168495 817159072 /nfs/dbraw/zinc/15/90/72/817159072.db2.gz YBPHPFJLOVTYJL-CQSZACIVSA-N 2 2 332.408 -0.246 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001275250457 817177488 /nfs/dbraw/zinc/17/74/88/817177488.db2.gz IQLKWOQGVPMKMR-SLTAFYQDSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)Cn3cc[nH+]c3)C[C@@H]2C1 ZINC001276839574 817481579 /nfs/dbraw/zinc/48/15/79/817481579.db2.gz KLWBMFUHMIVUAT-XHSDSOJGSA-N 2 2 343.431 -0.151 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276886965 817489125 /nfs/dbraw/zinc/48/91/25/817489125.db2.gz RNODICOMIKRQON-OAHLLOKOSA-N 2 2 343.431 -0.055 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCCC2(CN(C(=O)Cn3cc[nH+]c3)C2)C1 ZINC001276886965 817489128 /nfs/dbraw/zinc/48/91/28/817489128.db2.gz RNODICOMIKRQON-OAHLLOKOSA-N 2 2 343.431 -0.055 20 30 EBEDLP C[N@@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001278062219 817690068 /nfs/dbraw/zinc/69/00/68/817690068.db2.gz RGIDFAIXFJJEFR-IAGOWNOFSA-N 2 2 331.416 -0.565 20 30 EBEDLP C[N@H+]1CCO[C@@H](C(=O)NC[C@H](CO)[NH2+]CC#Cc2ccccc2)C1 ZINC001278062219 817690073 /nfs/dbraw/zinc/69/00/73/817690073.db2.gz RGIDFAIXFJJEFR-IAGOWNOFSA-N 2 2 331.416 -0.565 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nncn2C)C1 ZINC001091076381 817863874 /nfs/dbraw/zinc/86/38/74/817863874.db2.gz XPKVIEMDDJGTBQ-NRXISQOPSA-N 2 2 330.436 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1CC([NH2+]Cc2nncn2C)C1 ZINC001091076381 817863885 /nfs/dbraw/zinc/86/38/85/817863885.db2.gz XPKVIEMDDJGTBQ-NRXISQOPSA-N 2 2 330.436 -0.103 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)Cc2c[nH]c[nH+]2)CCOCC1 ZINC001281266135 818116850 /nfs/dbraw/zinc/11/68/50/818116850.db2.gz LEFVLDXGAGNAND-CYBMUJFWSA-N 2 2 349.435 -0.102 20 30 EBEDLP C=CCNC(=O)C[NH2+]CC1(NC(=O)Cc2c[nH+]cn2C)CCOCC1 ZINC001281279564 818131994 /nfs/dbraw/zinc/13/19/94/818131994.db2.gz CAVRVTVXGZGKNX-UHFFFAOYSA-N 2 2 349.435 -0.480 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(NC(=O)Cc2[nH]cc[nH+]2)CCOCC1 ZINC001281280707 818132944 /nfs/dbraw/zinc/13/29/44/818132944.db2.gz VTFUHOXNVDURQM-CYBMUJFWSA-N 2 2 349.435 -0.102 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH2+]CC1(O)CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001281637059 818240345 /nfs/dbraw/zinc/24/03/45/818240345.db2.gz RNFVSLJGHUCYRQ-CYBMUJFWSA-N 2 2 349.435 -0.414 20 30 EBEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@H+](C)CCO3)CC2=O)C1 ZINC001094715555 818359494 /nfs/dbraw/zinc/35/94/94/818359494.db2.gz OPRSKAWERCOPTP-UKRRQHHQSA-N 2 2 336.436 -0.706 20 30 EBEDLP C=CCC[NH+]1CC(N2C[C@H](NC(=O)[C@H]3C[N@@H+](C)CCO3)CC2=O)C1 ZINC001094715555 818359502 /nfs/dbraw/zinc/35/95/02/818359502.db2.gz OPRSKAWERCOPTP-UKRRQHHQSA-N 2 2 336.436 -0.706 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783810 818463791 /nfs/dbraw/zinc/46/37/91/818463791.db2.gz XKUFVGMBPDHKHU-CABCVRRESA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2=O)C1 ZINC001094783810 818463795 /nfs/dbraw/zinc/46/37/95/818463795.db2.gz XKUFVGMBPDHKHU-CABCVRRESA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CC([C@H](C)NC(=O)Cn2cc[nH+]c2C)C1 ZINC001282746028 818485961 /nfs/dbraw/zinc/48/59/61/818485961.db2.gz ZZLCOLBPPJVDDE-STQMWFEESA-N 2 2 331.420 -0.234 20 30 EBEDLP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001096284031 818780679 /nfs/dbraw/zinc/78/06/79/818780679.db2.gz ZGKUQKWYTWTPAP-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP C[N@H+]1CC[C@@H](C(=O)NCC[NH+]2CCN(c3cnc(C#N)cn3)CC2)C1 ZINC001096284031 818780685 /nfs/dbraw/zinc/78/06/85/818780685.db2.gz ZGKUQKWYTWTPAP-CQSZACIVSA-N 2 2 343.435 -0.462 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N[C@@]12CCC[C@H]1[N@H+](CC(=O)NCC#N)CC2 ZINC001284069056 819086836 /nfs/dbraw/zinc/08/68/36/819086836.db2.gz GBFCOSNBDOTTOL-RHSMWYFYSA-N 2 2 344.419 -0.056 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N[C@@]12CCC[C@H]1[N@@H+](CC(=O)NCC#N)CC2 ZINC001284069056 819086838 /nfs/dbraw/zinc/08/68/38/819086838.db2.gz GBFCOSNBDOTTOL-RHSMWYFYSA-N 2 2 344.419 -0.056 20 30 EBEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC#C)C2)nn1 ZINC001098682679 819320702 /nfs/dbraw/zinc/32/07/02/819320702.db2.gz CQMDKMULHWGPAE-IRXDYDNUSA-N 2 2 340.431 -0.128 20 30 EBEDLP C#CC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3CC#C)C2)nn1 ZINC001098682679 819320704 /nfs/dbraw/zinc/32/07/04/819320704.db2.gz CQMDKMULHWGPAE-IRXDYDNUSA-N 2 2 340.431 -0.128 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@H](O)C1 ZINC001099899479 819868874 /nfs/dbraw/zinc/86/88/74/819868874.db2.gz UEBXIXAGIHOWEQ-UONOGXRCSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@H](O)C1 ZINC001099899479 819868884 /nfs/dbraw/zinc/86/88/84/819868884.db2.gz UEBXIXAGIHOWEQ-UONOGXRCSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899479 819868900 /nfs/dbraw/zinc/86/89/00/819868900.db2.gz UEBXIXAGIHOWEQ-UONOGXRCSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)CC)[C@H](O)C1 ZINC001099899479 819868912 /nfs/dbraw/zinc/86/89/12/819868912.db2.gz UEBXIXAGIHOWEQ-UONOGXRCSA-N 2 2 338.452 -0.983 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099970027 819972160 /nfs/dbraw/zinc/97/21/60/819972160.db2.gz QMIVLXRHWNHIOE-ZIAGYGMSSA-N 2 2 326.441 -0.818 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)[C@H](O)C1 ZINC001099970027 819972163 /nfs/dbraw/zinc/97/21/63/819972163.db2.gz QMIVLXRHWNHIOE-ZIAGYGMSSA-N 2 2 326.441 -0.818 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972018 819975055 /nfs/dbraw/zinc/97/50/55/819975055.db2.gz PPTRCKKSQIECRN-ZIAGYGMSSA-N 2 2 338.452 -0.818 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](O)C1 ZINC001099972018 819975057 /nfs/dbraw/zinc/97/50/57/819975057.db2.gz PPTRCKKSQIECRN-ZIAGYGMSSA-N 2 2 338.452 -0.818 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100082796 820183043 /nfs/dbraw/zinc/18/30/43/820183043.db2.gz IJZRAGUUZIXJNG-KBPBESRZSA-N 2 2 326.441 -0.818 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C1 ZINC001100082796 820183049 /nfs/dbraw/zinc/18/30/49/820183049.db2.gz IJZRAGUUZIXJNG-KBPBESRZSA-N 2 2 326.441 -0.818 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082796 820183057 /nfs/dbraw/zinc/18/30/57/820183057.db2.gz IJZRAGUUZIXJNG-KBPBESRZSA-N 2 2 326.441 -0.818 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C1 ZINC001100082796 820183062 /nfs/dbraw/zinc/18/30/62/820183062.db2.gz IJZRAGUUZIXJNG-KBPBESRZSA-N 2 2 326.441 -0.818 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100934551 820610693 /nfs/dbraw/zinc/61/06/93/820610693.db2.gz QAUWINUYNSAQIF-UHFFFAOYSA-N 2 2 331.420 -0.414 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCc2c[nH+]cn2C)C1 ZINC001100935193 820612118 /nfs/dbraw/zinc/61/21/18/820612118.db2.gz QMRFYYHSGLWGBI-WLYUNCDWSA-N 2 2 345.447 -0.025 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[N@@H+]1CC#C ZINC001292915860 820657983 /nfs/dbraw/zinc/65/79/83/820657983.db2.gz HWNVUMMLDLGUFD-HOTGVXAUSA-N 2 2 330.432 -0.586 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCCNC(=O)[C@@H]1CCC[N@H+]1CC#C ZINC001292915860 820657988 /nfs/dbraw/zinc/65/79/88/820657988.db2.gz HWNVUMMLDLGUFD-HOTGVXAUSA-N 2 2 330.432 -0.586 20 30 EBEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@]2(C)C1 ZINC001101350056 820764806 /nfs/dbraw/zinc/76/48/06/820764806.db2.gz SYTDGDHCHSQDET-HFTRVMKXSA-N 2 2 343.431 -0.130 20 30 EBEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH]c[nH+]3)NC(C)=O)C[C@]2(C)C1 ZINC001101350056 820764814 /nfs/dbraw/zinc/76/48/14/820764814.db2.gz SYTDGDHCHSQDET-HFTRVMKXSA-N 2 2 343.431 -0.130 20 30 EBEDLP C#CC[N@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@]2(C)C1 ZINC001101350056 820764821 /nfs/dbraw/zinc/76/48/21/820764821.db2.gz SYTDGDHCHSQDET-HFTRVMKXSA-N 2 2 343.431 -0.130 20 30 EBEDLP C#CC[N@@H+]1C[C@@H]2CN(C(=O)[C@H](Cc3c[nH+]c[nH]3)NC(C)=O)C[C@]2(C)C1 ZINC001101350056 820764825 /nfs/dbraw/zinc/76/48/25/820764825.db2.gz SYTDGDHCHSQDET-HFTRVMKXSA-N 2 2 343.431 -0.130 20 30 EBEDLP CN(CC[NH+]1CCN(c2cncc(C#N)n2)CC1)C(=O)CC[NH+](C)C ZINC001102422425 821104372 /nfs/dbraw/zinc/10/43/72/821104372.db2.gz MNBYYPIHQQJATQ-UHFFFAOYSA-N 2 2 345.451 -0.120 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512834 821134094 /nfs/dbraw/zinc/13/40/94/821134094.db2.gz GELIJZDNGLLBFM-ZIAGYGMSSA-N 2 2 331.420 -0.604 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102512834 821134103 /nfs/dbraw/zinc/13/41/03/821134103.db2.gz GELIJZDNGLLBFM-ZIAGYGMSSA-N 2 2 331.420 -0.604 20 30 EBEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268440 821658252 /nfs/dbraw/zinc/65/82/52/821658252.db2.gz NYCAKPQUHJSJMD-IUODEOHRSA-N 2 2 334.424 -0.344 20 30 EBEDLP C=CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)nn1 ZINC001105268440 821658259 /nfs/dbraw/zinc/65/82/59/821658259.db2.gz NYCAKPQUHJSJMD-IUODEOHRSA-N 2 2 334.424 -0.344 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)C[C@@H]2C1 ZINC001316757768 821847297 /nfs/dbraw/zinc/84/72/97/821847297.db2.gz HJKJMEZGFINPGB-ZNMIVQPWSA-N 2 2 343.431 -0.130 20 30 EBEDLP 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/nfs/dbraw/zinc/65/39/71/740653971.db2.gz ZECSOZSWRCQZBV-PMPSAXMXSA-N 2 2 348.451 -0.085 20 30 EBEDLP C=CC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006502 740653973 /nfs/dbraw/zinc/65/39/73/740653973.db2.gz ZECSOZSWRCQZBV-PMPSAXMXSA-N 2 2 348.451 -0.085 20 30 EBEDLP C=CC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C(C)C)CCO2)[C@@H](n2ccnn2)C1 ZINC001070006502 740653976 /nfs/dbraw/zinc/65/39/76/740653976.db2.gz ZECSOZSWRCQZBV-PMPSAXMXSA-N 2 2 348.451 -0.085 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCc3[nH+]ccn3C2)C[C@H]1C ZINC001215006719 810299739 /nfs/dbraw/zinc/29/97/39/810299739.db2.gz ZZZLFUBYDLUTAT-QLFBSQMISA-N 2 2 343.431 -0.369 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001216392724 810370990 /nfs/dbraw/zinc/37/09/90/810370990.db2.gz MWLHAGSMYSTCQV-UMVBOHGHSA-N 2 2 331.420 -0.463 20 30 EBEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933222 810470316 /nfs/dbraw/zinc/47/03/16/810470316.db2.gz UZMVQSYIGIJKBJ-WCXIOVBPSA-N 2 2 335.448 -0.112 20 30 EBEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)[C@H]2C1 ZINC001217933222 810470322 /nfs/dbraw/zinc/47/03/22/810470322.db2.gz UZMVQSYIGIJKBJ-WCXIOVBPSA-N 2 2 335.448 -0.112 20 30 EBEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933222 810470326 /nfs/dbraw/zinc/47/03/26/810470326.db2.gz UZMVQSYIGIJKBJ-WCXIOVBPSA-N 2 2 335.448 -0.112 20 30 EBEDLP COCC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)[C@H]2C1 ZINC001217933222 810470333 /nfs/dbraw/zinc/47/03/33/810470333.db2.gz UZMVQSYIGIJKBJ-WCXIOVBPSA-N 2 2 335.448 -0.112 20 30 EBEDLP [NH3+][C@@H](Cc1ccc(O[C@H]2CC[NH2+]C2)cc1)C(=O)ON1C(=O)CCC1=O ZINC001218182928 810481969 /nfs/dbraw/zinc/48/19/69/810481969.db2.gz HFEVNUODERHOKS-KBPBESRZSA-N 2 2 347.371 -0.096 20 30 EBEDLP COCC#CC[N@@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970612 810550511 /nfs/dbraw/zinc/55/05/11/810550511.db2.gz LXNAOTXZMWGEKJ-JKSUJKDBSA-N 2 2 339.436 -0.874 20 30 EBEDLP COCC#CC[N@H+]1C[C@H]2OCCN(C(=O)COCC[NH+](C)C)[C@H]2C1 ZINC001218970612 810550517 /nfs/dbraw/zinc/55/05/17/810550517.db2.gz LXNAOTXZMWGEKJ-JKSUJKDBSA-N 2 2 339.436 -0.874 20 30 EBEDLP C#CCC[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001035447856 810808165 /nfs/dbraw/zinc/80/81/65/810808165.db2.gz XANXNCWDEORBFD-BNQMIIOLSA-N 2 2 333.432 -0.310 20 30 EBEDLP C#CCC[N@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001035447856 810808171 /nfs/dbraw/zinc/80/81/71/810808171.db2.gz XANXNCWDEORBFD-BNQMIIOLSA-N 2 2 333.432 -0.310 20 30 EBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001035447856 810808173 /nfs/dbraw/zinc/80/81/73/810808173.db2.gz XANXNCWDEORBFD-BNQMIIOLSA-N 2 2 333.432 -0.310 20 30 EBEDLP C#CCC[NH+]1CCO[C@@H](CNC(=O)[C@H]2C[N@H+]3CC4CC3(C4)CO2)C1 ZINC001035447856 810808179 /nfs/dbraw/zinc/80/81/79/810808179.db2.gz XANXNCWDEORBFD-BNQMIIOLSA-N 2 2 333.432 -0.310 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@@H+](C)CC)[C@@H](O)C1 ZINC001219896846 810900129 /nfs/dbraw/zinc/90/01/29/810900129.db2.gz MKLYMQJNPOYQNU-MJBXVCDLSA-N 2 2 340.468 -0.431 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)CC)[C@@H](O)C1 ZINC001219896846 810900138 /nfs/dbraw/zinc/90/01/38/810900138.db2.gz MKLYMQJNPOYQNU-MJBXVCDLSA-N 2 2 340.468 -0.431 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896846 810900143 /nfs/dbraw/zinc/90/01/43/810900143.db2.gz MKLYMQJNPOYQNU-MJBXVCDLSA-N 2 2 340.468 -0.431 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)CC)[C@@H](O)C1 ZINC001219896846 810900150 /nfs/dbraw/zinc/90/01/50/810900150.db2.gz MKLYMQJNPOYQNU-MJBXVCDLSA-N 2 2 340.468 -0.431 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908469 810904358 /nfs/dbraw/zinc/90/43/58/810904358.db2.gz HGACSFQCQQGBOU-BMFZPTHFSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908469 810904365 /nfs/dbraw/zinc/90/43/65/810904365.db2.gz HGACSFQCQQGBOU-BMFZPTHFSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CC)[C@@H](O)C1 ZINC001220689434 811204855 /nfs/dbraw/zinc/20/48/55/811204855.db2.gz GSBOVPKXGUMPTD-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CC)[C@@H](O)C1 ZINC001220689434 811204858 /nfs/dbraw/zinc/20/48/58/811204858.db2.gz GSBOVPKXGUMPTD-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689434 811204862 /nfs/dbraw/zinc/20/48/62/811204862.db2.gz GSBOVPKXGUMPTD-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)[C@@H](O)C1 ZINC001220689434 811204869 /nfs/dbraw/zinc/20/48/69/811204869.db2.gz GSBOVPKXGUMPTD-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813272 811539533 /nfs/dbraw/zinc/53/95/33/811539533.db2.gz DJWBJJDVTHWXLT-BZUAXINKSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813272 811539536 /nfs/dbraw/zinc/53/95/36/811539536.db2.gz DJWBJJDVTHWXLT-BZUAXINKSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813272 811539539 /nfs/dbraw/zinc/53/95/39/811539539.db2.gz DJWBJJDVTHWXLT-BZUAXINKSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@H]3C)[C@@H]2C1 ZINC001221813272 811539545 /nfs/dbraw/zinc/53/95/45/811539545.db2.gz DJWBJJDVTHWXLT-BZUAXINKSA-N 2 2 332.448 -0.247 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221903 811690098 /nfs/dbraw/zinc/69/00/98/811690098.db2.gz JTKINWJETMBRMP-CABCVRRESA-N 2 2 344.419 -0.164 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CC[C@@H]2CCN(C(=O)CCn3cc[nH+]c3)C[C@@H]21 ZINC001223221903 811690102 /nfs/dbraw/zinc/69/01/02/811690102.db2.gz JTKINWJETMBRMP-CABCVRRESA-N 2 2 344.419 -0.164 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672546 811771017 /nfs/dbraw/zinc/77/10/17/811771017.db2.gz JMOOXMRQHIINSX-CYBMUJFWSA-N 2 2 331.420 -0.082 20 30 EBEDLP CC[NH+](CC)C[C@H](F)C(=O)NC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001227628765 811930923 /nfs/dbraw/zinc/93/09/23/811930923.db2.gz HVORPXIDCQMJRG-AWEZNQCLSA-N 2 2 341.431 -0.113 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001227849266 811945426 /nfs/dbraw/zinc/94/54/26/811945426.db2.gz NAFXZDBWXSWXSN-OCCSQVGLSA-N 2 2 349.435 -0.752 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC001227849266 811945431 /nfs/dbraw/zinc/94/54/31/811945431.db2.gz NAFXZDBWXSWXSN-OCCSQVGLSA-N 2 2 349.435 -0.752 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)Cn2c[nH+]cc2C)CC1 ZINC001228274215 811972305 /nfs/dbraw/zinc/97/23/05/811972305.db2.gz RNWIYLMEUJFPAT-CQSZACIVSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001263837139 813125726 /nfs/dbraw/zinc/12/57/26/813125726.db2.gz VXOFEOMTCLGDMB-OTVXOJSOSA-N 2 2 344.415 -0.134 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001263851779 813128772 /nfs/dbraw/zinc/12/87/72/813128772.db2.gz VEBALGGIEAFKFX-BETUJISGSA-N 2 2 348.407 -0.621 20 30 EBEDLP N#CCNC(=O)C[NH+]1CCC2(CCN(C(=O)Cn3cc[nH+]c3)C2)CC1 ZINC001269713881 815578804 /nfs/dbraw/zinc/57/88/04/815578804.db2.gz JAGKXURKQOXKDJ-UHFFFAOYSA-N 2 2 344.419 -0.163 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001265360780 813311696 /nfs/dbraw/zinc/31/16/96/813311696.db2.gz SEPMNZHRVHFXBH-GJZGRUSLSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001265633406 813352494 /nfs/dbraw/zinc/35/24/94/813352494.db2.gz VNSNQMOIEHBAMY-HNNXBMFYSA-N 2 2 345.447 -0.070 20 30 EBEDLP CC#CC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001265883535 813403068 /nfs/dbraw/zinc/40/30/68/813403068.db2.gz MJCYKGZRXBKUNP-HNNXBMFYSA-N 2 2 331.420 -0.149 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc2n1CCOC2 ZINC001266729102 813654186 /nfs/dbraw/zinc/65/41/86/813654186.db2.gz YJSYZXLGAGFIPV-AWEZNQCLSA-N 2 2 346.435 -0.546 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1nnc2n1CCOC2 ZINC001266729102 813654189 /nfs/dbraw/zinc/65/41/89/813654189.db2.gz YJSYZXLGAGFIPV-AWEZNQCLSA-N 2 2 346.435 -0.546 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H](C)CNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001266940651 813704686 /nfs/dbraw/zinc/70/46/86/813704686.db2.gz HVGDNFWKCCYUMU-CYBMUJFWSA-N 2 2 331.420 -0.394 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001267012805 813733634 /nfs/dbraw/zinc/73/36/34/813733634.db2.gz GSZXQQKGGXFJDF-LBPRGKRZSA-N 2 2 333.392 -0.710 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001267048484 813746156 /nfs/dbraw/zinc/74/61/56/813746156.db2.gz XACDZLBVBVCWLS-LSDHHAIUSA-N 2 2 343.431 -0.367 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+]([C@@H]3CCNC3=O)C[C@H]2OC)CC1 ZINC001082384187 813934811 /nfs/dbraw/zinc/93/48/11/813934811.db2.gz HPWHUQLPCZOWRU-BZUAXINKSA-N 2 2 348.447 -0.965 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+]([C@@H]3CCNC3=O)C[C@H]2OC)CC1 ZINC001082384187 813934817 /nfs/dbraw/zinc/93/48/17/813934817.db2.gz HPWHUQLPCZOWRU-BZUAXINKSA-N 2 2 348.447 -0.965 20 30 EBEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084753 814119445 /nfs/dbraw/zinc/11/94/45/814119445.db2.gz DENYWFPEJOYMRC-DLBZAZTESA-N 2 2 345.447 -0.007 20 30 EBEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)c3ccn(CC[NH+](C)C)n3)[C@H]2C1 ZINC001083084753 814119447 /nfs/dbraw/zinc/11/94/47/814119447.db2.gz DENYWFPEJOYMRC-DLBZAZTESA-N 2 2 345.447 -0.007 20 30 EBEDLP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001268459719 814251182 /nfs/dbraw/zinc/25/11/82/814251182.db2.gz GOWWTQBHHGRESO-ZDUSSCGKSA-N 2 2 332.408 -0.477 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(CC)CC[NH2+]Cc2nc(=O)n(C)[nH]2)CC1 ZINC001268499043 814267379 /nfs/dbraw/zinc/26/73/79/814267379.db2.gz DMYHAEGVTZSJNP-UHFFFAOYSA-N 2 2 348.451 -0.608 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC1 ZINC001269083991 814521884 /nfs/dbraw/zinc/52/18/84/814521884.db2.gz HZMUOERFCFWDCW-ZIAGYGMSSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1)C1CC1 ZINC001269095627 814529975 /nfs/dbraw/zinc/52/99/75/814529975.db2.gz QODYCYJAXIILCH-ZACQAIPSSA-N 2 2 335.448 -0.016 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@H+]1C ZINC001269582869 814736854 /nfs/dbraw/zinc/73/68/54/814736854.db2.gz BYLMTGBNAUCCJM-OWCLPIDISA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C 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ZINC001105375688 821730859 /nfs/dbraw/zinc/73/08/59/821730859.db2.gz LBOGEFNDZDQLPJ-INIZCTEOSA-N 2 2 346.435 -0.505 20 30 EBEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](CC)CCO3)C2)nn1 ZINC001105375688 821730866 /nfs/dbraw/zinc/73/08/66/821730866.db2.gz LBOGEFNDZDQLPJ-INIZCTEOSA-N 2 2 346.435 -0.505 20 30 EBEDLP C[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(=O)NCC#N ZINC001316833261 821875387 /nfs/dbraw/zinc/87/53/87/821875387.db2.gz BKWPCRGWRAFXLV-CYBMUJFWSA-N 2 2 332.408 -0.477 20 30 EBEDLP C[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(=O)NCC#N ZINC001316833261 821875396 /nfs/dbraw/zinc/87/53/96/821875396.db2.gz BKWPCRGWRAFXLV-CYBMUJFWSA-N 2 2 332.408 -0.477 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)Cc2c[nH+]cn2C)CC1 ZINC001317679138 822201323 /nfs/dbraw/zinc/20/13/23/822201323.db2.gz GXVWDPCYOYBWSG-CQSZACIVSA-N 2 2 345.447 -0.071 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H](C2CC2)[NH+](C)C)[C@@H](n2ccnn2)C1 ZINC001129052787 828564169 /nfs/dbraw/zinc/56/41/69/828564169.db2.gz 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C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813271 811539876 /nfs/dbraw/zinc/53/98/76/811539876.db2.gz DJWBJJDVTHWXLT-ARFHVFGLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813271 811539881 /nfs/dbraw/zinc/53/98/81/811539881.db2.gz DJWBJJDVTHWXLT-ARFHVFGLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813271 811539891 /nfs/dbraw/zinc/53/98/91/811539891.db2.gz DJWBJJDVTHWXLT-ARFHVFGLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC[C@@H]3C)[C@@H]2C1 ZINC001221813271 811539895 /nfs/dbraw/zinc/53/98/95/811539895.db2.gz DJWBJJDVTHWXLT-ARFHVFGLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222017951 811581284 /nfs/dbraw/zinc/58/12/84/811581284.db2.gz DWFDTKLLJVXNJJ-NUEKZKHPSA-N 2 2 343.431 -0.138 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)[C@@H]2C1 ZINC001222017951 811581293 /nfs/dbraw/zinc/58/12/93/811581293.db2.gz DWFDTKLLJVXNJJ-NUEKZKHPSA-N 2 2 343.431 -0.138 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)NCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC001225436214 811811385 /nfs/dbraw/zinc/81/13/85/811811385.db2.gz XZYPHEOSLGTJRK-UHFFFAOYSA-N 2 2 332.408 -0.341 20 30 EBEDLP N#CCNC(=O)C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408719 811922136 /nfs/dbraw/zinc/92/21/36/811922136.db2.gz TVMWPAMOFWOJDY-OAHLLOKOSA-N 2 2 333.436 -0.451 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@H](CNC(=O)Cc2[nH]c[nH+]c2C)C1 ZINC001263877836 813133069 /nfs/dbraw/zinc/13/30/69/813133069.db2.gz AUZAPMIOFCKGBL-MGPQQGTHSA-N 2 2 331.420 -0.117 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265905254 813409864 /nfs/dbraw/zinc/40/98/64/813409864.db2.gz GCEJXFAVKWEEGU-AWEZNQCLSA-N 2 2 343.431 -0.298 20 30 EBEDLP C#CCNC(=O)C[N@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266326725 813531067 /nfs/dbraw/zinc/53/10/67/813531067.db2.gz JAPCDNOTKOMCBI-UHFFFAOYSA-N 2 2 347.419 -0.319 20 30 EBEDLP C#CCNC(=O)C[N@@H+](C)CCNC(=O)c1cc(C[NH+]2CCCC2)on1 ZINC001266326725 813531070 /nfs/dbraw/zinc/53/10/70/813531070.db2.gz JAPCDNOTKOMCBI-UHFFFAOYSA-N 2 2 347.419 -0.319 20 30 EBEDLP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001266368925 813554390 /nfs/dbraw/zinc/55/43/90/813554390.db2.gz OGICLKLKDPDLRF-JKSUJKDBSA-N 2 2 335.448 -0.063 20 30 EBEDLP COCC#CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001266368925 813554393 /nfs/dbraw/zinc/55/43/93/813554393.db2.gz OGICLKLKDPDLRF-JKSUJKDBSA-N 2 2 335.448 -0.063 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001267089066 813755762 /nfs/dbraw/zinc/75/57/62/813755762.db2.gz BGIWYVQRRYOBFY-ZIAGYGMSSA-N 2 2 331.420 -0.271 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267116369 813763143 /nfs/dbraw/zinc/76/31/43/813763143.db2.gz 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ZINC001083148892 814162543 /nfs/dbraw/zinc/16/25/43/814162543.db2.gz MEGVXMVPWVHHIW-HNCZQISISA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148892 814162548 /nfs/dbraw/zinc/16/25/48/814162548.db2.gz MEGVXMVPWVHHIW-HNCZQISISA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148892 814162553 /nfs/dbraw/zinc/16/25/53/814162553.db2.gz MEGVXMVPWVHHIW-HNCZQISISA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148892 814162556 /nfs/dbraw/zinc/16/25/56/814162556.db2.gz MEGVXMVPWVHHIW-HNCZQISISA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001268686624 814351484 /nfs/dbraw/zinc/35/14/84/814351484.db2.gz JPGKUJRGDWPIQG-WFASDCNBSA-N 2 2 346.435 -0.366 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H](C)NC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001268686624 814351493 /nfs/dbraw/zinc/35/14/93/814351493.db2.gz JPGKUJRGDWPIQG-WFASDCNBSA-N 2 2 346.435 -0.366 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001268867047 814420709 /nfs/dbraw/zinc/42/07/09/814420709.db2.gz FRTIHHJCNHDNDY-DZKIICNBSA-N 2 2 334.464 -0.097 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC001268867047 814420716 /nfs/dbraw/zinc/42/07/16/814420716.db2.gz FRTIHHJCNHDNDY-DZKIICNBSA-N 2 2 334.464 -0.097 20 30 EBEDLP CC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523178 814521718 /nfs/dbraw/zinc/52/17/18/814521718.db2.gz QWPIPODOPFQQFV-ZACQAIPSSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523178 814521725 /nfs/dbraw/zinc/52/17/25/814521725.db2.gz QWPIPODOPFQQFV-ZACQAIPSSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523178 814521729 /nfs/dbraw/zinc/52/17/29/814521729.db2.gz QWPIPODOPFQQFV-ZACQAIPSSA-N 2 2 335.448 -0.186 20 30 EBEDLP CC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CCC[N@H+]2C2CCOCC2)[C@@H](O)C1 ZINC001083523178 814521734 /nfs/dbraw/zinc/52/17/34/814521734.db2.gz QWPIPODOPFQQFV-ZACQAIPSSA-N 2 2 335.448 -0.186 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@](C)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001269638412 814752545 /nfs/dbraw/zinc/75/25/45/814752545.db2.gz NFFYLPISSBQPKT-SJCJKPOMSA-N 2 2 331.420 -0.035 20 30 EBEDLP N#CCNC(=O)C[NH2+]Cc1ccc(CNC(=O)Cn2cc[nH+]c2)cc1 ZINC001270087938 815685978 /nfs/dbraw/zinc/68/59/78/815685978.db2.gz GHTVNXDZLZEJSM-UHFFFAOYSA-N 2 2 340.387 -0.071 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001086390516 816317159 /nfs/dbraw/zinc/31/71/59/816317159.db2.gz YJPLJUDEZAXHJN-AJNGGQMLSA-N 2 2 345.451 -0.147 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+][C@@H](C)c2nnnn2C)C1 ZINC001086390516 816317166 /nfs/dbraw/zinc/31/71/66/816317166.db2.gz YJPLJUDEZAXHJN-AJNGGQMLSA-N 2 2 345.451 -0.147 20 30 EBEDLP C=CC[NH2+]C[C@H](O)CNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001272478997 816441385 /nfs/dbraw/zinc/44/13/85/816441385.db2.gz DULLKHGRQKYXLE-ZNMIVQPWSA-N 2 2 327.425 -0.881 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C ZINC001274269541 816914907 /nfs/dbraw/zinc/91/49/07/816914907.db2.gz JPMXVQYIWYJSPC-NEPJUHHUSA-N 2 2 348.407 -0.600 20 30 EBEDLP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274555182 817002961 /nfs/dbraw/zinc/00/29/61/817002961.db2.gz SQMBULOUAZGNEI-FUHWJXTLSA-N 2 2 346.431 -0.182 20 30 EBEDLP C#CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(CCn3cc[nH+]c3)C2=O)C1 ZINC001274555182 817002969 /nfs/dbraw/zinc/00/29/69/817002969.db2.gz SQMBULOUAZGNEI-FUHWJXTLSA-N 2 2 346.431 -0.182 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001278572256 817782663 /nfs/dbraw/zinc/78/26/63/817782663.db2.gz MHNLMWJLQLSSID-QGZVFWFLSA-N 2 2 331.420 -0.460 20 30 EBEDLP 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NNTBLLTUEWVNQH-UHFFFAOYSA-N 2 2 344.419 -0.001 20 30 EBEDLP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@H+](C)CCO2)c1 ZINC001125220675 828083921 /nfs/dbraw/zinc/08/39/21/828083921.db2.gz KSMFZRPJCCPUSM-INIZCTEOSA-N 2 2 344.415 -0.357 20 30 EBEDLP C#Cc1cccc(NC(=O)C[NH2+]CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)c1 ZINC001125220675 828083929 /nfs/dbraw/zinc/08/39/29/828083929.db2.gz KSMFZRPJCCPUSM-INIZCTEOSA-N 2 2 344.415 -0.357 20 30 EBEDLP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001130478322 828859848 /nfs/dbraw/zinc/85/98/48/828859848.db2.gz XYFNRFKEEIFBAE-CQSZACIVSA-N 2 2 346.435 -0.087 20 30 EBEDLP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478321 828859994 /nfs/dbraw/zinc/85/99/94/828859994.db2.gz XYFNRFKEEIFBAE-AWEZNQCLSA-N 2 2 346.435 -0.087 20 30 EBEDLP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001130481355 828862463 /nfs/dbraw/zinc/86/24/63/828862463.db2.gz QJOKMXGCZGLEMP-CQSZACIVSA-N 2 2 346.435 -0.087 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555806 828882131 /nfs/dbraw/zinc/88/21/31/828882131.db2.gz LRKCRPZCXRVPKQ-USXIJHARSA-N 2 2 345.447 -0.342 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555806 828882139 /nfs/dbraw/zinc/88/21/39/828882139.db2.gz LRKCRPZCXRVPKQ-USXIJHARSA-N 2 2 345.447 -0.342 20 30 EBEDLP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@@H+]1CC(=O)NCC#N ZINC001132264869 829401119 /nfs/dbraw/zinc/40/11/19/829401119.db2.gz DBHHPEYDXSTJHF-HIFRSBDPSA-N 2 2 335.452 -0.063 20 30 EBEDLP C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[N@H+]1CC(=O)NCC#N ZINC001132264869 829401125 /nfs/dbraw/zinc/40/11/25/829401125.db2.gz DBHHPEYDXSTJHF-HIFRSBDPSA-N 2 2 335.452 -0.063 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@@H]1C ZINC001133355430 829626107 /nfs/dbraw/zinc/62/61/07/829626107.db2.gz YKDGTLUDRNBENE-GJZGRUSLSA-N 2 2 331.420 -0.293 20 30 EBEDLP O=C(C[NH2+]CCNC(=O)Cc1[nH]cc[nH+]1)NCC#Cc1ccccc1 ZINC001135755909 830019617 /nfs/dbraw/zinc/01/96/17/830019617.db2.gz TYFMTSXHPJXYEG-UHFFFAOYSA-N 2 2 339.399 -0.174 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC#N)C2 ZINC001147898058 830428294 /nfs/dbraw/zinc/42/82/94/830428294.db2.gz CJBYNDSFCNJRAY-UHFFFAOYSA-N 2 2 330.392 -0.634 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC#N)C2 ZINC001147898058 830428300 /nfs/dbraw/zinc/42/83/00/830428300.db2.gz CJBYNDSFCNJRAY-UHFFFAOYSA-N 2 2 330.392 -0.634 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148604513 830515588 /nfs/dbraw/zinc/51/55/88/830515588.db2.gz HJWQRXJLWOKFFW-CQSZACIVSA-N 2 2 343.431 -0.365 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCC2(CN(C(=O)Cc3c[nH+]cn3C)C2)C1 ZINC001148604513 830515594 /nfs/dbraw/zinc/51/55/94/830515594.db2.gz HJWQRXJLWOKFFW-CQSZACIVSA-N 2 2 343.431 -0.365 20 30 EBEDLP CCN(CCC#N)C(=O)C[NH2+]CCNC(=O)CCc1c[nH+]cn1C ZINC001149553227 830694593 /nfs/dbraw/zinc/69/45/93/830694593.db2.gz GWLXSAWOSNYXHS-UHFFFAOYSA-N 2 2 334.424 -0.179 20 30 EBEDLP C#CC[N@@H+]1CCCO[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001149841574 830760109 /nfs/dbraw/zinc/76/01/09/830760109.db2.gz GPWOCQCUXBMTQS-HOTGVXAUSA-N 2 2 333.436 -0.346 20 30 EBEDLP C#CC[N@H+]1CCCO[C@@H](CNC(=O)[C@H](Cn2cccn2)[NH+](C)C)C1 ZINC001149841574 830760113 /nfs/dbraw/zinc/76/01/13/830760113.db2.gz GPWOCQCUXBMTQS-HOTGVXAUSA-N 2 2 333.436 -0.346 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194409 830836178 /nfs/dbraw/zinc/83/61/78/830836178.db2.gz UALOHQZBRNUWKO-HNNXBMFYSA-N 2 2 338.452 -0.715 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001150194409 830836184 /nfs/dbraw/zinc/83/61/84/830836184.db2.gz UALOHQZBRNUWKO-HNNXBMFYSA-N 2 2 338.452 -0.715 20 30 EBEDLP CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]([NH3+])Cc1ccccc1C#N ZINC001157999841 831618073 /nfs/dbraw/zinc/61/80/73/831618073.db2.gz UYKPXODMVLYGTA-GJZGRUSLSA-N 2 2 330.388 -0.208 20 30 EBEDLP N#Cc1ccc(N2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3CC[NH2+]4)CC2)nc1 ZINC001160602027 831870336 /nfs/dbraw/zinc/87/03/36/831870336.db2.gz AFCHAQYWABPRMS-QAPCUYQASA-N 2 2 340.431 -0.057 20 30 EBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)N1CCN(c2nccnc2C#N)CC1 ZINC001160636585 831872976 /nfs/dbraw/zinc/87/29/76/831872976.db2.gz JYTFODFGLZAJFJ-ZDUSSCGKSA-N 2 2 340.391 -0.700 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161314525 831947277 /nfs/dbraw/zinc/94/72/77/831947277.db2.gz BSJNSKJIKBSHQJ-KBPBESRZSA-N 2 2 331.420 -0.321 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1(CCNC(=O)Cc2[nH]c[nH+]c2C)CC1 ZINC001167900312 832382560 /nfs/dbraw/zinc/38/25/60/832382560.db2.gz GVLDGORDLXRCAL-UHFFFAOYSA-N 2 2 331.420 -0.114 20 30 EBEDLP C[C@H]1[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C ZINC001179558119 832988984 /nfs/dbraw/zinc/98/89/84/832988984.db2.gz ZGYCRSWBLSFENG-DGAVXFQQSA-N 2 2 344.419 -0.258 20 30 EBEDLP CCN(CCC#N)C(=O)C[NH2+][C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001188369136 834038715 /nfs/dbraw/zinc/03/87/15/834038715.db2.gz SZNVTKAEGGGEHH-CQSZACIVSA-N 2 2 332.408 -0.164 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346552 837752180 /nfs/dbraw/zinc/75/21/80/837752180.db2.gz SAOPLIGHLZKFDI-RBSFLKMASA-N 2 2 340.468 -0.166 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](OC)C1 ZINC001213346552 837752182 /nfs/dbraw/zinc/75/21/82/837752182.db2.gz SAOPLIGHLZKFDI-RBSFLKMASA-N 2 2 340.468 -0.166 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213378494 837761276 /nfs/dbraw/zinc/76/12/76/837761276.db2.gz SYPJMQGOSWTDAN-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)[C@H](OC)C2)C1=O ZINC001213378494 837761282 /nfs/dbraw/zinc/76/12/82/837761282.db2.gz SYPJMQGOSWTDAN-QLFBSQMISA-N 2 2 338.452 -0.460 20 30 EBEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O ZINC001193447422 834874654 /nfs/dbraw/zinc/87/46/54/834874654.db2.gz RDSMOKNTRLHPIF-RBSFLKMASA-N 2 2 329.416 -0.523 20 30 EBEDLP CC[NH+](CC)C[C@@H](F)C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O ZINC001193447422 834874667 /nfs/dbraw/zinc/87/46/67/834874667.db2.gz RDSMOKNTRLHPIF-RBSFLKMASA-N 2 2 329.416 -0.523 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707950 835275384 /nfs/dbraw/zinc/27/53/84/835275384.db2.gz BHUQJMYGQORSKV-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CCC[NH+](C)C)C1 ZINC001195707950 835275388 /nfs/dbraw/zinc/27/53/88/835275388.db2.gz BHUQJMYGQORSKV-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP CC[C@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@H]1O)[NH+](CC)CC ZINC001196122471 835350931 /nfs/dbraw/zinc/35/09/31/835350931.db2.gz BVNQSNWJUOIWEC-BZUAXINKSA-N 2 2 325.453 -0.082 20 30 EBEDLP CC[C@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@H]1O)[NH+](CC)CC ZINC001196122471 835350934 /nfs/dbraw/zinc/35/09/34/835350934.db2.gz BVNQSNWJUOIWEC-BZUAXINKSA-N 2 2 325.453 -0.082 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493221 835564571 /nfs/dbraw/zinc/56/45/71/835564571.db2.gz GSBOVPKXGUMPTD-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493221 835564578 /nfs/dbraw/zinc/56/45/78/835564578.db2.gz GSBOVPKXGUMPTD-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493221 835564585 /nfs/dbraw/zinc/56/45/85/835564585.db2.gz GSBOVPKXGUMPTD-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493221 835564592 /nfs/dbraw/zinc/56/45/92/835564592.db2.gz GSBOVPKXGUMPTD-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C2)C1=O ZINC001198028649 835631772 /nfs/dbraw/zinc/63/17/72/835631772.db2.gz DXSHPMRCMQHQSS-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C2)C1=O ZINC001198028649 835631774 /nfs/dbraw/zinc/63/17/74/835631774.db2.gz DXSHPMRCMQHQSS-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001198028649 835631776 /nfs/dbraw/zinc/63/17/76/835631776.db2.gz DXSHPMRCMQHQSS-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)C[NH+](C)CCC)C2)C1=O ZINC001198028649 835631777 /nfs/dbraw/zinc/63/17/77/835631777.db2.gz DXSHPMRCMQHQSS-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CCC)C1 ZINC001198047998 835635205 /nfs/dbraw/zinc/63/52/05/835635205.db2.gz QIVQNRSBLVOQOI-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CCC)C1 ZINC001198047998 835635208 /nfs/dbraw/zinc/63/52/08/835635208.db2.gz QIVQNRSBLVOQOI-MGPQQGTHSA-N 2 2 326.441 -0.820 20 30 EBEDLP 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EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@@H+](CC(=O)NC3CC3)C2)CC1 ZINC001016336045 728458174 /nfs/dbraw/zinc/45/81/74/728458174.db2.gz HNAKXNXVHKEJID-INIZCTEOSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CC(=O)NC3CC3)C2)CC1 ZINC001016336045 728458175 /nfs/dbraw/zinc/45/81/75/728458175.db2.gz HNAKXNXVHKEJID-INIZCTEOSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)CC[NH+]3CCOCC3)C2)CC1 ZINC001052098931 735545257 /nfs/dbraw/zinc/54/52/57/735545257.db2.gz RCYRKAYRCHXMFR-GOSISDBHSA-N 2 2 348.491 -0.050 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001032827225 730940277 /nfs/dbraw/zinc/94/02/77/730940277.db2.gz SDXLMTVTGROPMT-BBWFWOEESA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C[C@@H](O)Cn2cccn2)C1 ZINC001032827225 730940278 /nfs/dbraw/zinc/94/02/78/730940278.db2.gz SDXLMTVTGROPMT-BBWFWOEESA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001032827225 730940279 /nfs/dbraw/zinc/94/02/79/730940279.db2.gz SDXLMTVTGROPMT-BBWFWOEESA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC001032827225 730940280 /nfs/dbraw/zinc/94/02/80/730940280.db2.gz SDXLMTVTGROPMT-BBWFWOEESA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)NC ZINC001045797383 733775195 /nfs/dbraw/zinc/77/51/95/733775195.db2.gz FJZNTYOOWUUCIT-PMPSAXMXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC ZINC001045797383 733775196 /nfs/dbraw/zinc/77/51/96/733775196.db2.gz FJZNTYOOWUUCIT-PMPSAXMXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001045797383 733775197 /nfs/dbraw/zinc/77/51/97/733775197.db2.gz FJZNTYOOWUUCIT-PMPSAXMXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(=O)NC ZINC001045797383 733775198 /nfs/dbraw/zinc/77/51/98/733775198.db2.gz FJZNTYOOWUUCIT-PMPSAXMXSA-N 2 2 332.448 -0.105 20 30 EBEDLP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+]([C@@H]2CCN(CC#N)C2)CC1 ZINC001046084321 733857199 /nfs/dbraw/zinc/85/71/99/733857199.db2.gz PSWDFYMOMCSVIX-DLBZAZTESA-N 2 2 349.479 -0.303 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001048868776 734546169 /nfs/dbraw/zinc/54/61/69/734546169.db2.gz NMQAISILNHGAAS-UXLLHSPISA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](Cc3cnnn3C)C[C@@H]2C1 ZINC001048868776 734546171 /nfs/dbraw/zinc/54/61/71/734546171.db2.gz NMQAISILNHGAAS-UXLLHSPISA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)C[C@@H]2C1 ZINC001048868776 734546172 /nfs/dbraw/zinc/54/61/72/734546172.db2.gz NMQAISILNHGAAS-UXLLHSPISA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3cnnn3C)C[C@@H]2C1 ZINC001048868776 734546173 /nfs/dbraw/zinc/54/61/73/734546173.db2.gz NMQAISILNHGAAS-UXLLHSPISA-N 2 2 342.447 -0.197 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@@H+](CC(N)=O)C2)C1 ZINC001054147498 736168894 /nfs/dbraw/zinc/16/88/94/736168894.db2.gz SLHZHFHFODDLKH-MAUKXSAKSA-N 2 2 332.448 -0.116 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[N@H+](CC(N)=O)C2)C1 ZINC001054147498 736168899 /nfs/dbraw/zinc/16/88/99/736168899.db2.gz SLHZHFHFODDLKH-MAUKXSAKSA-N 2 2 332.448 -0.116 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001054147498 736168902 /nfs/dbraw/zinc/16/89/02/736168902.db2.gz SLHZHFHFODDLKH-MAUKXSAKSA-N 2 2 332.448 -0.116 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CC(N)=O)C2)C1 ZINC001054147498 736168909 /nfs/dbraw/zinc/16/89/09/736168909.db2.gz SLHZHFHFODDLKH-MAUKXSAKSA-N 2 2 332.448 -0.116 20 30 EBEDLP C#CC[NH+]1CCC([C@@H]2NC(=O)CC[C@H]2NC(=O)Cn2cc[nH+]c2)CC1 ZINC001070384944 740801523 /nfs/dbraw/zinc/80/15/23/740801523.db2.gz SUSJZTZPYDHULO-QAPCUYQASA-N 2 2 343.431 -0.008 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+]([C@@H](C)C(=O)NC)C2 ZINC001072822841 741494617 /nfs/dbraw/zinc/49/46/17/741494617.db2.gz VJTGQLFUZNDCHJ-GJZGRUSLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+]([C@@H](C)C(=O)NC)C2 ZINC001072822841 741494619 /nfs/dbraw/zinc/49/46/19/741494619.db2.gz VJTGQLFUZNDCHJ-GJZGRUSLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC)C2 ZINC001072822841 741494622 /nfs/dbraw/zinc/49/46/22/741494622.db2.gz VJTGQLFUZNDCHJ-GJZGRUSLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+]([C@@H](C)C(=O)NC)C2 ZINC001072822841 741494623 /nfs/dbraw/zinc/49/46/23/741494623.db2.gz VJTGQLFUZNDCHJ-GJZGRUSLSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnc(C)o3)C[C@H]2O)CC1 ZINC001078227446 743546905 /nfs/dbraw/zinc/54/69/05/743546905.db2.gz ZRTADWOIRRHOBR-IAGOWNOFSA-N 2 2 346.431 -0.010 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2O)CC1 ZINC001078227446 743546907 /nfs/dbraw/zinc/54/69/07/743546907.db2.gz ZRTADWOIRRHOBR-IAGOWNOFSA-N 2 2 346.431 -0.010 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000981364948 806152984 /nfs/dbraw/zinc/15/29/84/806152984.db2.gz COMDRNZVOHZAPP-INIZCTEOSA-N 2 2 347.463 -0.357 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[NH+](CCN2CCNC2=O)CC1 ZINC000981364948 806152985 /nfs/dbraw/zinc/15/29/85/806152985.db2.gz COMDRNZVOHZAPP-INIZCTEOSA-N 2 2 347.463 -0.357 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@H+](CCN2CCNC2=O)CC1 ZINC000981364948 806152990 /nfs/dbraw/zinc/15/29/90/806152990.db2.gz COMDRNZVOHZAPP-INIZCTEOSA-N 2 2 347.463 -0.357 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[N@@H+](CCN2CCNC2=O)CC1 ZINC000981364948 806152994 /nfs/dbraw/zinc/15/29/94/806152994.db2.gz COMDRNZVOHZAPP-INIZCTEOSA-N 2 2 347.463 -0.357 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@@H+](C)Cc2nnnn2C)CC1 ZINC000985476509 807517214 /nfs/dbraw/zinc/51/72/14/807517214.db2.gz URURQZXSLZFBSR-HNNXBMFYSA-N 2 2 345.451 -0.270 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC([N@H+](C)Cc2nnnn2C)CC1 ZINC000985476509 807517217 /nfs/dbraw/zinc/51/72/17/807517217.db2.gz URURQZXSLZFBSR-HNNXBMFYSA-N 2 2 345.451 -0.270 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nnnn2C)CC1 ZINC000985476509 807517223 /nfs/dbraw/zinc/51/72/23/807517223.db2.gz URURQZXSLZFBSR-HNNXBMFYSA-N 2 2 345.451 -0.270 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)Cc2nnnn2C)CC1 ZINC000985476509 807517229 /nfs/dbraw/zinc/51/72/29/807517229.db2.gz URURQZXSLZFBSR-HNNXBMFYSA-N 2 2 345.451 -0.270 20 30 EBEDLP C[C@@H]1CN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001214988367 810298110 /nfs/dbraw/zinc/29/81/10/810298110.db2.gz TWQBPDLPQIOFIM-UMVBOHGHSA-N 2 2 344.419 -0.478 20 30 EBEDLP C[C@H]1[NH2+]C[C@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001218384127 810489080 /nfs/dbraw/zinc/48/90/80/810489080.db2.gz CMXROCHCFGJZSJ-DDTOSNHZSA-N 2 2 347.371 -0.097 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792245 810842375 /nfs/dbraw/zinc/84/23/75/810842375.db2.gz CFLZQCZZRKGUPI-BBWFWOEESA-N 2 2 337.464 -0.225 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792245 810842382 /nfs/dbraw/zinc/84/23/82/810842382.db2.gz CFLZQCZZRKGUPI-BBWFWOEESA-N 2 2 337.464 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792245 810842390 /nfs/dbraw/zinc/84/23/90/810842390.db2.gz CFLZQCZZRKGUPI-BBWFWOEESA-N 2 2 337.464 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)[C@@H](O)C1 ZINC001219792245 810842398 /nfs/dbraw/zinc/84/23/98/810842398.db2.gz CFLZQCZZRKGUPI-BBWFWOEESA-N 2 2 337.464 -0.225 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908470 810904653 /nfs/dbraw/zinc/90/46/53/810904653.db2.gz HGACSFQCQQGBOU-IMJJTQAJSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)[C@@H](O)C1 ZINC001219908470 810904657 /nfs/dbraw/zinc/90/46/57/810904657.db2.gz HGACSFQCQQGBOU-IMJJTQAJSA-N 2 2 334.420 -0.191 20 30 EBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CC#CCOC)C[C@@H]1O)[NH+](CC)CC ZINC001220344543 811064489 /nfs/dbraw/zinc/06/44/89/811064489.db2.gz BVNQSNWJUOIWEC-PMPSAXMXSA-N 2 2 325.453 -0.082 20 30 EBEDLP CC[C@@H](C(=O)N[C@@H]1C[N@@H+](CC#CCOC)C[C@@H]1O)[NH+](CC)CC ZINC001220344543 811064502 /nfs/dbraw/zinc/06/45/02/811064502.db2.gz BVNQSNWJUOIWEC-PMPSAXMXSA-N 2 2 325.453 -0.082 20 30 EBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H](O)C2)C1=O ZINC001220828706 811259197 /nfs/dbraw/zinc/25/91/97/811259197.db2.gz DXSHPMRCMQHQSS-KFWWJZLASA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)CCC)[C@@H](O)C2)C1=O ZINC001220828706 811259201 /nfs/dbraw/zinc/25/92/01/811259201.db2.gz DXSHPMRCMQHQSS-KFWWJZLASA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C2)C1=O ZINC001220828706 811259202 /nfs/dbraw/zinc/25/92/02/811259202.db2.gz DXSHPMRCMQHQSS-KFWWJZLASA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C[NH+](C)CCC)[C@@H](O)C2)C1=O ZINC001220828706 811259207 /nfs/dbraw/zinc/25/92/07/811259207.db2.gz DXSHPMRCMQHQSS-KFWWJZLASA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089904 811374711 /nfs/dbraw/zinc/37/47/11/811374711.db2.gz SUMYSTKIGQZPMD-KFWWJZLASA-N 2 2 338.452 -0.725 20 30 EBEDLP C=CCN1CC[C@@H]([NH+]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)[C@@H](O)C2)C1=O ZINC001221089904 811374726 /nfs/dbraw/zinc/37/47/26/811374726.db2.gz SUMYSTKIGQZPMD-KFWWJZLASA-N 2 2 338.452 -0.725 20 30 EBEDLP 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RQWUIRMKSUEHQM-NVXWUHKLSA-N 2 2 346.431 -0.038 20 30 EBEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@H](O)C1 ZINC001100074744 820166000 /nfs/dbraw/zinc/16/60/00/820166000.db2.gz RQWUIRMKSUEHQM-NVXWUHKLSA-N 2 2 346.431 -0.038 20 30 EBEDLP COCC#CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001100074746 820166108 /nfs/dbraw/zinc/16/61/08/820166108.db2.gz RQWUIRMKSUEHQM-WBVHZDCISA-N 2 2 346.431 -0.038 20 30 EBEDLP COCC#CC[N@H+]1CC[C@@H](NC(=O)c2c[nH+]ccc2N(C)C)[C@@H](O)C1 ZINC001100074746 820166114 /nfs/dbraw/zinc/16/61/14/820166114.db2.gz RQWUIRMKSUEHQM-WBVHZDCISA-N 2 2 346.431 -0.038 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001100460971 820428960 /nfs/dbraw/zinc/42/89/60/820428960.db2.gz GUAOZSZWNQMXBZ-SHARSMKWSA-N 2 2 343.431 -0.321 20 30 EBEDLP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCCc3[nH+]c[nH]c32)C1 ZINC001100665430 820504350 /nfs/dbraw/zinc/50/43/50/820504350.db2.gz AQJCOLWLHSCXMK-WXRRBKDZSA-N 2 2 344.419 -0.046 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375505 820771137 /nfs/dbraw/zinc/77/11/37/820771137.db2.gz WISVIIBLMJRGLX-LBTNJELSSA-N 2 2 343.431 -0.130 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2CN(C(=O)Cc3c[nH+]c[nH]3)C[C@]2(C)C1 ZINC001101375505 820771144 /nfs/dbraw/zinc/77/11/44/820771144.db2.gz WISVIIBLMJRGLX-LBTNJELSSA-N 2 2 343.431 -0.130 20 30 EBEDLP C=CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488021 820806369 /nfs/dbraw/zinc/80/63/69/820806369.db2.gz HWMMGLQIJLERKH-PBHICJAKSA-N 2 2 331.420 -0.034 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3)C[C@]2(C)C1 ZINC001101488021 820806381 /nfs/dbraw/zinc/80/63/81/820806381.db2.gz HWMMGLQIJLERKH-PBHICJAKSA-N 2 2 331.420 -0.034 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483134 821123596 /nfs/dbraw/zinc/12/35/96/821123596.db2.gz ZWNZUABSCUNWEF-HZSPNIEDSA-N 2 2 331.420 -0.226 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2[nH]cc[nH+]2)[C@H](C)C1 ZINC001102483134 821123599 /nfs/dbraw/zinc/12/35/99/821123599.db2.gz ZWNZUABSCUNWEF-HZSPNIEDSA-N 2 2 331.420 -0.226 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514971 821136960 /nfs/dbraw/zinc/13/69/60/821136960.db2.gz WXEGOOVWTVDTDY-RBSFLKMASA-N 2 2 345.447 -0.215 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514971 821136967 /nfs/dbraw/zinc/13/69/67/821136967.db2.gz WXEGOOVWTVDTDY-RBSFLKMASA-N 2 2 345.447 -0.215 20 30 EBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472107 821314382 /nfs/dbraw/zinc/31/43/82/821314382.db2.gz CLKOSSDCXMULDI-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)Cc1c[nH]c[nH+]1 ZINC001103472107 821314391 /nfs/dbraw/zinc/31/43/91/821314391.db2.gz CLKOSSDCXMULDI-CHWSQXEVSA-N 2 2 332.408 -0.334 20 30 EBEDLP COCC#CC[NH2+]Cc1cn(C2CN(C(=O)C[NH+]3CCCC3)C2)nn1 ZINC001105372652 821726900 /nfs/dbraw/zinc/72/69/00/821726900.db2.gz REWBDACWJRQDFB-UHFFFAOYSA-N 2 2 346.435 -0.503 20 30 EBEDLP C[NH+](C)Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH2+]CC(=O)NCC#N)C2)no1 ZINC001316618737 821817836 /nfs/dbraw/zinc/81/78/36/821817836.db2.gz QDAPSGHPQMCQAX-TXEJJXNPSA-N 2 2 348.407 -0.526 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001316633137 821822941 /nfs/dbraw/zinc/82/29/41/821822941.db2.gz LFQCHTRPSNDKRI-RBSFLKMASA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@H+](C)CC(=O)NC(N)=O)C1 ZINC001317375928 822094026 /nfs/dbraw/zinc/09/40/26/822094026.db2.gz MSIHNMYPLLHHSD-KGLIPLIRSA-N 2 2 349.435 -0.798 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CCC[C@@H]([N@@H+](C)CC(=O)NC(N)=O)C1 ZINC001317375928 822094033 /nfs/dbraw/zinc/09/40/33/822094033.db2.gz MSIHNMYPLLHHSD-KGLIPLIRSA-N 2 2 349.435 -0.798 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001317375928 822094043 /nfs/dbraw/zinc/09/40/43/822094043.db2.gz MSIHNMYPLLHHSD-KGLIPLIRSA-N 2 2 349.435 -0.798 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(=O)NC(N)=O)C1 ZINC001317375928 822094049 /nfs/dbraw/zinc/09/40/49/822094049.db2.gz MSIHNMYPLLHHSD-KGLIPLIRSA-N 2 2 349.435 -0.798 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317536306 822150357 /nfs/dbraw/zinc/15/03/57/822150357.db2.gz NCAJQTSKIWXZNX-ZDUSSCGKSA-N 2 2 348.407 -0.667 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001317536306 822150361 /nfs/dbraw/zinc/15/03/61/822150361.db2.gz NCAJQTSKIWXZNX-ZDUSSCGKSA-N 2 2 348.407 -0.667 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001106704978 822315231 /nfs/dbraw/zinc/31/52/31/822315231.db2.gz LOGQVQPEAVDURK-HZSPNIEDSA-N 2 2 331.420 -0.226 20 30 EBEDLP C[C@@H]1CN(C(=O)CCc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001106937204 822355571 /nfs/dbraw/zinc/35/55/71/822355571.db2.gz NWEIETPLCPGEAK-ZIAGYGMSSA-N 2 2 346.435 -0.323 20 30 EBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851217 828539021 /nfs/dbraw/zinc/53/90/21/828539021.db2.gz DDTZDXWXQPJUNT-PMPSAXMXSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[NH+]1C[C@@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851217 828539027 /nfs/dbraw/zinc/53/90/27/828539027.db2.gz DDTZDXWXQPJUNT-PMPSAXMXSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851217 828539035 /nfs/dbraw/zinc/53/90/35/828539035.db2.gz DDTZDXWXQPJUNT-PMPSAXMXSA-N 2 2 348.451 -0.084 20 30 EBEDLP C=CCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001128851217 828539039 /nfs/dbraw/zinc/53/90/39/828539039.db2.gz DDTZDXWXQPJUNT-PMPSAXMXSA-N 2 2 348.451 -0.084 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)[C@@H](C3CC3)[NH+](C)C)CC2=O)C1 ZINC001108552545 824364327 /nfs/dbraw/zinc/36/43/27/824364327.db2.gz OJNOVCUUIIGSQH-WMLDXEAASA-N 2 2 332.448 -0.249 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@@H+](C)C3CCC3)CC2=O)C1 ZINC001108552934 824365336 /nfs/dbraw/zinc/36/53/36/824365336.db2.gz YPSUKHXFOCHHIQ-CQSZACIVSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@H](NC(=O)C[N@H+](C)C3CCC3)CC2=O)C1 ZINC001108552934 824365341 /nfs/dbraw/zinc/36/53/41/824365341.db2.gz YPSUKHXFOCHHIQ-CQSZACIVSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]c[nH+]c1C)C2 ZINC001108806328 824439523 /nfs/dbraw/zinc/43/95/23/824439523.db2.gz QUSDOHYWFAIUDQ-ZNMIVQPWSA-N 2 2 343.431 -0.021 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293991 824521063 /nfs/dbraw/zinc/52/10/63/824521063.db2.gz JYMFWTNMBLUNLC-QZWWFDLISA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@H]1C[NH+]3CCC1CC3)C2 ZINC001109293991 824521065 /nfs/dbraw/zinc/52/10/65/824521065.db2.gz JYMFWTNMBLUNLC-QZWWFDLISA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC001129770112 828666619 /nfs/dbraw/zinc/66/66/19/828666619.db2.gz AYMHDOUWDZLDHS-ZDUSSCGKSA-N 2 2 333.392 -0.275 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1cc(C)on1 ZINC001129770112 828666623 /nfs/dbraw/zinc/66/66/23/828666623.db2.gz AYMHDOUWDZLDHS-ZDUSSCGKSA-N 2 2 333.392 -0.275 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408191 825109860 /nfs/dbraw/zinc/10/98/60/825109860.db2.gz MHLXUAMUBROLRW-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001111408191 825109862 /nfs/dbraw/zinc/10/98/62/825109862.db2.gz MHLXUAMUBROLRW-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001130266307 828773136 /nfs/dbraw/zinc/77/31/36/828773136.db2.gz SVDCGXPCFOZWTR-UHFFFAOYSA-N 2 2 344.375 -0.106 20 30 EBEDLP COCC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405762 826236184 /nfs/dbraw/zinc/23/61/84/826236184.db2.gz ZLOWTFQBSXRASE-TWMKSMIVSA-N 2 2 345.447 -0.491 20 30 EBEDLP COCC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](Cn1cccn1)[NH+](C)C ZINC001114405762 826236189 /nfs/dbraw/zinc/23/61/89/826236189.db2.gz ZLOWTFQBSXRASE-TWMKSMIVSA-N 2 2 345.447 -0.491 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)NCC=C)C[C@H]21 ZINC001114421839 826242293 /nfs/dbraw/zinc/24/22/93/826242293.db2.gz TWSQETFYTWEKDQ-QSJFSLAZSA-N 2 2 330.432 -0.567 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)NCC=C)C[C@H]21 ZINC001114421839 826242299 /nfs/dbraw/zinc/24/22/99/826242299.db2.gz TWSQETFYTWEKDQ-QSJFSLAZSA-N 2 2 330.432 -0.567 20 30 EBEDLP 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ZINC001206955388 836729500 /nfs/dbraw/zinc/72/95/00/836729500.db2.gz SOFLURZJDACEAT-RBSFLKMASA-N 2 2 335.452 -0.065 20 30 EBEDLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CC(=O)NCC#N)C[C@H]1C ZINC001206955388 836729503 /nfs/dbraw/zinc/72/95/03/836729503.db2.gz SOFLURZJDACEAT-RBSFLKMASA-N 2 2 335.452 -0.065 20 30 EBEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206955388 836729504 /nfs/dbraw/zinc/72/95/04/836729504.db2.gz SOFLURZJDACEAT-RBSFLKMASA-N 2 2 335.452 -0.065 20 30 EBEDLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC001206955388 836729506 /nfs/dbraw/zinc/72/95/06/836729506.db2.gz SOFLURZJDACEAT-RBSFLKMASA-N 2 2 335.452 -0.065 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001208363023 837008689 /nfs/dbraw/zinc/00/86/89/837008689.db2.gz UIWCJRMWQOBUKY-JHJVBQTASA-N 2 2 330.392 -0.266 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001208435390 837039179 /nfs/dbraw/zinc/03/91/79/837039179.db2.gz DNQHLSIFCJEHHV-KGLIPLIRSA-N 2 2 344.419 -0.334 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210044768 837227492 /nfs/dbraw/zinc/22/74/92/837227492.db2.gz HOXXFHPILNQYHR-KGLIPLIRSA-N 2 2 331.420 -0.082 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210044768 837227501 /nfs/dbraw/zinc/22/75/01/837227501.db2.gz HOXXFHPILNQYHR-KGLIPLIRSA-N 2 2 331.420 -0.082 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH]c[nH+]2)C1 ZINC001210044761 837229198 /nfs/dbraw/zinc/22/91/98/837229198.db2.gz HOXXFHPILNQYHR-KBPBESRZSA-N 2 2 331.420 -0.082 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCCN(C(=O)[C@@H](C)Cc2c[nH+]c[nH]2)C1 ZINC001210044761 837229203 /nfs/dbraw/zinc/22/92/03/837229203.db2.gz HOXXFHPILNQYHR-KBPBESRZSA-N 2 2 331.420 -0.082 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCCN(C(=O)Cc2[nH]cc[nH+]2)C1 ZINC001210304777 837267885 /nfs/dbraw/zinc/26/78/85/837267885.db2.gz PYHGWHGALMZYJB-GFCCVEGCSA-N 2 2 348.407 -0.455 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001320450231 838771891 /nfs/dbraw/zinc/77/18/91/838771891.db2.gz MIJTZWIVYRDXPV-OLZOCXBDSA-N 2 2 334.424 -0.810 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001320450231 838771895 /nfs/dbraw/zinc/77/18/95/838771895.db2.gz MIJTZWIVYRDXPV-OLZOCXBDSA-N 2 2 334.424 -0.810 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001320703990 838819681 /nfs/dbraw/zinc/81/96/81/838819681.db2.gz YBJVSMXPXITVDE-KBPBESRZSA-N 2 2 326.441 -0.554 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH2+]CCN(CC)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001320703990 838819691 /nfs/dbraw/zinc/81/96/91/838819691.db2.gz YBJVSMXPXITVDE-KBPBESRZSA-N 2 2 326.441 -0.554 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)Cc1[nH]c[nH+]c1C)C1CC1 ZINC001323098647 839349011 /nfs/dbraw/zinc/34/90/11/839349011.db2.gz GBESQWNOPUIEBM-DOMZBBRYSA-N 2 2 331.420 -0.117 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1CC ZINC001323158310 839361716 /nfs/dbraw/zinc/36/17/16/839361716.db2.gz HSDLEDWCXMGDGD-KBPBESRZSA-N 2 2 331.420 -0.082 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325162137 839805188 /nfs/dbraw/zinc/80/51/88/839805188.db2.gz SLBSGMHTTYJLMD-WMLDXEAASA-N 2 2 338.452 -0.674 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CC[C@@](O)(CNC(=O)C[NH+]2CCCC2)C1 ZINC001325162137 839805193 /nfs/dbraw/zinc/80/51/93/839805193.db2.gz SLBSGMHTTYJLMD-WMLDXEAASA-N 2 2 338.452 -0.674 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C1 ZINC001326291736 840081851 /nfs/dbraw/zinc/08/18/51/840081851.db2.gz XLNHVZBFLSRWBW-MGPQQGTHSA-N 2 2 344.419 -0.019 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH+]c[nH]2)C1 ZINC001326291736 840081855 /nfs/dbraw/zinc/08/18/55/840081855.db2.gz XLNHVZBFLSRWBW-MGPQQGTHSA-N 2 2 344.419 -0.019 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC[C@@H]1CCN(C(=O)CCc2c[nH+]cn2C)C1 ZINC001326423103 840103791 /nfs/dbraw/zinc/10/37/91/840103791.db2.gz CMFSJSOQBXQTRB-OAHLLOKOSA-N 2 2 345.447 -0.070 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001327111813 840302913 /nfs/dbraw/zinc/30/29/13/840302913.db2.gz SPLZNQQKNIMIPY-GJZGRUSLSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001327111813 840302932 /nfs/dbraw/zinc/30/29/32/840302932.db2.gz SPLZNQQKNIMIPY-GJZGRUSLSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001327111813 840302945 /nfs/dbraw/zinc/30/29/45/840302945.db2.gz SPLZNQQKNIMIPY-GJZGRUSLSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+](C)CCO2)CC1 ZINC001327111813 840302955 /nfs/dbraw/zinc/30/29/55/840302955.db2.gz SPLZNQQKNIMIPY-GJZGRUSLSA-N 2 2 338.452 -0.410 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC1CC(NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001328880000 840777806 /nfs/dbraw/zinc/77/78/06/840777806.db2.gz RCPRWQMWQRQHDL-SLTAFYQDSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CC1CC(NC(=O)CCc2[nH+]ccn2C)C1 ZINC001328892072 840781471 /nfs/dbraw/zinc/78/14/71/840781471.db2.gz CPOMXIDBBZSWJR-WLYUNCDWSA-N 2 2 345.447 -0.025 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001332322097 841615150 /nfs/dbraw/zinc/61/51/50/841615150.db2.gz KQPZTKODYNGJOV-STQMWFEESA-N 2 2 332.408 -0.523 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001332323788 841615330 /nfs/dbraw/zinc/61/53/30/841615330.db2.gz RATGDMFNFSCLJB-UONOGXRCSA-N 2 2 331.420 -0.414 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001332322093 841615370 /nfs/dbraw/zinc/61/53/70/841615370.db2.gz KQPZTKODYNGJOV-OLZOCXBDSA-N 2 2 332.408 -0.523 20 30 EBEDLP CN(C(=O)[C@@H]1CCn2cc[nH+]c2C1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001333089199 841793214 /nfs/dbraw/zinc/79/32/14/841793214.db2.gz NVXCBWSAXLUTNH-IYXRBSQSSA-N 2 2 344.419 -0.336 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001481632949 1126027430 /nfs/dbraw/zinc/02/74/30/1126027430.db2.gz OHEOBXNGZHBQRO-CQSZACIVSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CC(CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001481650765 1126031980 /nfs/dbraw/zinc/03/19/80/1126031980.db2.gz SSAQMAXEXYUCJY-HNNXBMFYSA-N 2 2 334.464 -0.096 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)Nc2ccon2)CC1 ZINC001670797474 1126081934 /nfs/dbraw/zinc/08/19/34/1126081934.db2.gz GJCJIVMYIADWBD-ZDUSSCGKSA-N 2 2 345.403 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC(=O)Nc2ccon2)CC1 ZINC001670797474 1126081936 /nfs/dbraw/zinc/08/19/36/1126081936.db2.gz GJCJIVMYIADWBD-ZDUSSCGKSA-N 2 2 345.403 -0.051 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CCc1[nH+]ccn1C ZINC001482311309 1126128704 /nfs/dbraw/zinc/12/87/04/1126128704.db2.gz MZLBWJITHLADBM-ZIAGYGMSSA-N 2 2 333.436 -0.073 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001482455168 1126153464 /nfs/dbraw/zinc/15/34/64/1126153464.db2.gz GUGUKVDHWCGLHI-CQSZACIVSA-N 2 2 332.408 -0.047 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)cn1 ZINC001482739003 1126272893 /nfs/dbraw/zinc/27/28/93/1126272893.db2.gz OQJJFKNARRCLJV-HOTGVXAUSA-N 2 2 331.420 -0.551 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH2+]Cc1cnc(C)cn1 ZINC001482739003 1126272895 /nfs/dbraw/zinc/27/28/95/1126272895.db2.gz OQJJFKNARRCLJV-HOTGVXAUSA-N 2 2 331.420 -0.551 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1nnnn1C ZINC001483018900 1126313442 /nfs/dbraw/zinc/31/34/42/1126313442.db2.gz DVCHVUZCVRZEQT-IHDARNGBSA-N 2 2 331.424 -0.369 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1nnnn1C ZINC001483018900 1126313443 /nfs/dbraw/zinc/31/34/43/1126313443.db2.gz DVCHVUZCVRZEQT-IHDARNGBSA-N 2 2 331.424 -0.369 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]CC1(CCNC(=O)Cn2cc[nH+]c2)CC1 ZINC001168493075 1126469628 /nfs/dbraw/zinc/46/96/28/1126469628.db2.gz KDIUQQHNNKACJF-AWEZNQCLSA-N 2 2 331.420 -0.103 20 30 EBEDLP C#CCNC(=O)C[NH2+]CC[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001484547237 1126602915 /nfs/dbraw/zinc/60/29/15/1126602915.db2.gz OTXOIKKRBGZHJJ-AWEZNQCLSA-N 2 2 331.420 -0.460 20 30 EBEDLP C[C@H]1CN(C(=O)CCc2[nH+]ccn2C)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484896315 1126651174 /nfs/dbraw/zinc/65/11/74/1126651174.db2.gz USRDDFOBZRQCKA-STQMWFEESA-N 2 2 332.408 -0.571 20 30 EBEDLP C[C@@H]1CN(C(=O)C(C)(C)c2c[nH+]c[nH]2)C[C@@H]1[NH2+]CC(=O)NCC#N ZINC001484906835 1126652424 /nfs/dbraw/zinc/65/24/24/1126652424.db2.gz SFGZTWOKAIAWGE-NEPJUHHUSA-N 2 2 332.408 -0.236 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)Cc1cn2c([nH+]1)CCCC2 ZINC001484993028 1126662376 /nfs/dbraw/zinc/66/23/76/1126662376.db2.gz JMPNXJOLOSNYRO-AWEZNQCLSA-N 2 2 345.447 -0.004 20 30 EBEDLP CC#CC[NH+]1CCC(CO)(NC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC001485027931 1126667891 /nfs/dbraw/zinc/66/78/91/1126667891.db2.gz ZSKUXESBAGXGNP-INIZCTEOSA-N 2 2 337.464 -0.079 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)Cn2cc[nH+]c2)C1 ZINC001691685206 1127514692 /nfs/dbraw/zinc/51/46/92/1127514692.db2.gz AIURUJLGOOQNCH-QLFBSQMISA-N 2 2 331.420 -0.105 20 30 EBEDLP CC[N@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(=O)NCC#N ZINC001490335478 1129166130 /nfs/dbraw/zinc/16/61/30/1129166130.db2.gz OTUPDOQAFNYVQK-CQSZACIVSA-N 2 2 346.435 -0.087 20 30 EBEDLP CC[N@@H+](CCCNC(=O)[C@@H]1CCc2c[nH+]cn2C1)CC(=O)NCC#N ZINC001490335478 1129166133 /nfs/dbraw/zinc/16/61/33/1129166133.db2.gz OTUPDOQAFNYVQK-CQSZACIVSA-N 2 2 346.435 -0.087 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001490682027 1129240009 /nfs/dbraw/zinc/24/00/09/1129240009.db2.gz HEAQCYQMOSAVGV-HIFRSBDPSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001491031398 1130297682 /nfs/dbraw/zinc/29/76/82/1130297682.db2.gz DYQDLNCZEFXFNX-BARDWOONSA-N 2 2 343.431 -0.180 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491213085 1130364036 /nfs/dbraw/zinc/36/40/36/1130364036.db2.gz JAUKWETYTRRCHS-CVEARBPZSA-N 2 2 347.463 -0.061 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001491213085 1130364037 /nfs/dbraw/zinc/36/40/37/1130364037.db2.gz JAUKWETYTRRCHS-CVEARBPZSA-N 2 2 347.463 -0.061 20 30 EBEDLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001491294192 1130389582 /nfs/dbraw/zinc/38/95/82/1130389582.db2.gz BUHMKRBWEUFMHN-ZIAGYGMSSA-N 2 2 346.435 -0.181 20 30 EBEDLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001491294192 1130389588 /nfs/dbraw/zinc/38/95/88/1130389588.db2.gz BUHMKRBWEUFMHN-ZIAGYGMSSA-N 2 2 346.435 -0.181 20 30 EBEDLP C[C@@H](CNC(=O)c1cc([C@H]2CCC[N@@H+]2C)n[nH]1)[NH2+]CC(=O)NCC#N ZINC001491463427 1130456567 /nfs/dbraw/zinc/45/65/67/1130456567.db2.gz NRGDGUHHPMVWAE-SMDDNHRTSA-N 2 2 347.423 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LPHAXJKTQOFJRC-STQMWFEESA-N 2 2 337.424 -0.942 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001268238822 814155183 /nfs/dbraw/zinc/15/51/83/814155183.db2.gz LPHAXJKTQOFJRC-STQMWFEESA-N 2 2 337.424 -0.942 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)[C@@H](C)C(=O)NC(N)=O ZINC001268238822 814155189 /nfs/dbraw/zinc/15/51/89/814155189.db2.gz LPHAXJKTQOFJRC-STQMWFEESA-N 2 2 337.424 -0.942 20 30 EBEDLP CC#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148795 814162309 /nfs/dbraw/zinc/16/23/09/814162309.db2.gz GLARKVUKZTVSBN-RWBIUQBRSA-N 2 2 345.443 -0.216 20 30 EBEDLP CC#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148795 814162316 /nfs/dbraw/zinc/16/23/16/814162316.db2.gz GLARKVUKZTVSBN-RWBIUQBRSA-N 2 2 345.443 -0.216 20 30 EBEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148795 814162322 /nfs/dbraw/zinc/16/23/22/814162322.db2.gz GLARKVUKZTVSBN-RWBIUQBRSA-N 2 2 345.443 -0.216 20 30 EBEDLP CC#CC[NH+]1C[C@H]2OCCN(C(=O)[C@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148795 814162331 /nfs/dbraw/zinc/16/23/31/814162331.db2.gz GLARKVUKZTVSBN-RWBIUQBRSA-N 2 2 345.443 -0.216 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CC(=O)NCC#N)C1 ZINC001268269551 814168959 /nfs/dbraw/zinc/16/89/59/814168959.db2.gz MSQQXIBCVBXOOS-HIFRSBDPSA-N 2 2 344.419 -0.475 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)N1CC[C@H]2[C@H](CC[N@H+]2CC(=O)NCC#N)C1 ZINC001268269551 814168965 /nfs/dbraw/zinc/16/89/65/814168965.db2.gz MSQQXIBCVBXOOS-HIFRSBDPSA-N 2 2 344.419 -0.475 20 30 EBEDLP CCN(CC[NH2+]CC(=O)NCC#N)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001268459718 814250948 /nfs/dbraw/zinc/25/09/48/814250948.db2.gz GOWWTQBHHGRESO-CYBMUJFWSA-N 2 2 332.408 -0.477 20 30 EBEDLP Cc1cn(C(C)(C)C(=O)NC/C=C\C[NH2+]CC(=O)NCC#N)c[nH+]1 ZINC001268555442 814291387 /nfs/dbraw/zinc/29/13/87/814291387.db2.gz IWULQUUNAGXDGW-PLNGDYQASA-N 2 2 332.408 -0.172 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)C1CC1 ZINC001269084887 814523764 /nfs/dbraw/zinc/52/37/64/814523764.db2.gz ODYUCYIBVGOEJI-HIFRSBDPSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083535617 814534607 /nfs/dbraw/zinc/53/46/07/814534607.db2.gz AWIQTEXTNOCSBP-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083535617 814534614 /nfs/dbraw/zinc/53/46/14/814534614.db2.gz AWIQTEXTNOCSBP-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083535617 814534619 /nfs/dbraw/zinc/53/46/19/814534619.db2.gz AWIQTEXTNOCSBP-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@@H]1O ZINC001083535617 814534626 /nfs/dbraw/zinc/53/46/26/814534626.db2.gz AWIQTEXTNOCSBP-IKGGRYGDSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1CC ZINC001269188764 814573596 /nfs/dbraw/zinc/57/35/96/814573596.db2.gz KCSJPWWJUXOWHM-GJZGRUSLSA-N 2 2 331.420 -0.151 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001269428684 814688286 /nfs/dbraw/zinc/68/82/86/814688286.db2.gz REDJTFXQZUIBJX-CABCVRRESA-N 2 2 332.448 -0.057 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H]2CCN(CC)C2=O)CC1 ZINC001269428684 814688291 /nfs/dbraw/zinc/68/82/91/814688291.db2.gz REDJTFXQZUIBJX-CABCVRRESA-N 2 2 332.448 -0.057 20 30 EBEDLP C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)CCN1C(=O)CCc1[nH+]ccn1C ZINC001269949488 815649807 /nfs/dbraw/zinc/64/98/07/815649807.db2.gz RWVKOOYQPIZULD-KGLIPLIRSA-N 2 2 346.435 -0.038 20 30 EBEDLP C=CCN1CC[C@@H]([N@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959119 815741537 /nfs/dbraw/zinc/74/15/37/815741537.db2.gz HAMJXEHBVSJMMM-KFWWJZLASA-N 2 2 348.447 -0.970 20 30 EBEDLP C=CCN1CC[C@@H]([N@@H+]2C[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](O)C2)C1=O ZINC001083959119 815741544 /nfs/dbraw/zinc/74/15/44/815741544.db2.gz HAMJXEHBVSJMMM-KFWWJZLASA-N 2 2 348.447 -0.970 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@H+]2CC(=O)N(C)C)CC1 ZINC001085986924 816202309 /nfs/dbraw/zinc/20/23/09/816202309.db2.gz PPKCNRADVYDLFA-MRXNPFEDSA-N 2 2 334.464 -0.048 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N(C)C[C@H]2CC[N@@H+]2CC(=O)N(C)C)CC1 ZINC001085986924 816202312 /nfs/dbraw/zinc/20/23/12/816202312.db2.gz PPKCNRADVYDLFA-MRXNPFEDSA-N 2 2 334.464 -0.048 20 30 EBEDLP C#CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001086156821 816250798 /nfs/dbraw/zinc/25/07/98/816250798.db2.gz QTRHXAZPJQTMQI-TWMKSMIVSA-N 2 2 335.448 -0.016 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001272054948 816301701 /nfs/dbraw/zinc/30/17/01/816301701.db2.gz ZKFFYLMNSNFZQE-LSDHHAIUSA-N 2 2 329.404 -0.302 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)Cn1cc[nH+]c1 ZINC001272054948 816301708 /nfs/dbraw/zinc/30/17/08/816301708.db2.gz ZKFFYLMNSNFZQE-LSDHHAIUSA-N 2 2 329.404 -0.302 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001272225572 816360542 /nfs/dbraw/zinc/36/05/42/816360542.db2.gz QCPLOHAXTVVPAH-KGLIPLIRSA-N 2 2 329.404 -0.376 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)Cc3[nH]cc[nH+]3)CC[C@@H]21 ZINC001272225572 816360546 /nfs/dbraw/zinc/36/05/46/816360546.db2.gz QCPLOHAXTVVPAH-KGLIPLIRSA-N 2 2 329.404 -0.376 20 30 EBEDLP COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@@H+]2C)n[nH]1 ZINC001272425159 816427611 /nfs/dbraw/zinc/42/76/11/816427611.db2.gz IPGHSTLHTJKKIE-BBRMVZONSA-N 2 2 349.435 -0.494 20 30 EBEDLP COCC#CC[NH2+]C[C@H](O)CNC(=O)c1cc([C@@H]2CCC[N@H+]2C)n[nH]1 ZINC001272425159 816427618 /nfs/dbraw/zinc/42/76/18/816427618.db2.gz IPGHSTLHTJKKIE-BBRMVZONSA-N 2 2 349.435 -0.494 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972839 816428287 /nfs/dbraw/zinc/42/82/87/816428287.db2.gz CLFBHKVNOFOULZ-ARFHVFGLSA-N 2 2 331.420 -0.732 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cnn(C)c1 ZINC001086972839 816428291 /nfs/dbraw/zinc/42/82/91/816428291.db2.gz CLFBHKVNOFOULZ-ARFHVFGLSA-N 2 2 331.420 -0.732 20 30 EBEDLP C=CCN1CC[C@@H]([NH2+]C[C@H](O)CNC(=O)Cc2[nH]c[nH+]c2C)C1=O ZINC001272566832 816477559 /nfs/dbraw/zinc/47/75/59/816477559.db2.gz FKTMEZGTLWWEAP-QWHCGFSZSA-N 2 2 335.408 -0.886 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495706 816684798 /nfs/dbraw/zinc/68/47/98/816684798.db2.gz HXEIZRVVRWJRNG-LSDHHAIUSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495706 816684803 /nfs/dbraw/zinc/68/48/03/816684803.db2.gz HXEIZRVVRWJRNG-LSDHHAIUSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273495706 816684812 /nfs/dbraw/zinc/68/48/12/816684812.db2.gz HXEIZRVVRWJRNG-LSDHHAIUSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495705 816684960 /nfs/dbraw/zinc/68/49/60/816684960.db2.gz HXEIZRVVRWJRNG-HUUCEWRRSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCN(C)C(=O)[C@H]1C[NH+](C)CCO1 ZINC001273495705 816684964 /nfs/dbraw/zinc/68/49/64/816684964.db2.gz HXEIZRVVRWJRNG-HUUCEWRRSA-N 2 2 340.468 -0.212 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+](C)CCCN(C)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC001273495705 816684970 /nfs/dbraw/zinc/68/49/70/816684970.db2.gz HXEIZRVVRWJRNG-HUUCEWRRSA-N 2 2 340.468 -0.212 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1CN(C(=O)c2cc(C[NH+](C)C)on2)C[C@@H]1C ZINC001274221879 816898415 /nfs/dbraw/zinc/89/84/15/816898415.db2.gz WIZPCEOIZIXAPW-WFASDCNBSA-N 2 2 347.419 -0.464 20 30 EBEDLP C#CCOC[C@@H](O)C[N@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274554940 817002892 /nfs/dbraw/zinc/00/28/92/817002892.db2.gz PUUAWBYYYNJEJP-FUHWJXTLSA-N 2 2 346.431 -0.145 20 30 EBEDLP C#CCOC[C@@H](O)C[N@@H+]1CC[C@@]2(CCN(Cc3c[nH+]cn3C)C2=O)C1 ZINC001274554940 817002899 /nfs/dbraw/zinc/00/28/99/817002899.db2.gz PUUAWBYYYNJEJP-FUHWJXTLSA-N 2 2 346.431 -0.145 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(CO)(NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001274936036 817125720 /nfs/dbraw/zinc/12/57/20/817125720.db2.gz BLKJWGCSVZQLDL-CQSZACIVSA-N 2 2 338.452 -0.981 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275592991 817255263 /nfs/dbraw/zinc/25/52/63/817255263.db2.gz WLHUUWQEYIFKOU-QWHCGFSZSA-N 2 2 349.435 -0.076 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](C)NC(=O)c1cc(C[NH+](C)C)on1 ZINC001275592991 817255267 /nfs/dbraw/zinc/25/52/67/817255267.db2.gz WLHUUWQEYIFKOU-QWHCGFSZSA-N 2 2 349.435 -0.076 20 30 EBEDLP 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ZINC000872286676 584460893 /nfs/dbraw/zinc/46/08/93/584460893.db2.gz OWWVUAQRIHTYOL-UHFFFAOYSA-N 2 2 348.447 -0.865 20 30 EBEDLP C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000876770641 584523305 /nfs/dbraw/zinc/52/33/05/584523305.db2.gz OPBCJJGPLDODTR-STQMWFEESA-N 2 2 344.843 -0.494 20 30 EBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000887700052 584680644 /nfs/dbraw/zinc/68/06/44/584680644.db2.gz WZKAQHIMNXSUNE-OAHLLOKOSA-N 2 2 335.452 -0.453 20 30 EBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000887700052 584680647 /nfs/dbraw/zinc/68/06/47/584680647.db2.gz WZKAQHIMNXSUNE-OAHLLOKOSA-N 2 2 335.452 -0.453 20 30 EBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261862360 649985664 /nfs/dbraw/zinc/98/56/64/649985664.db2.gz ZMNBXQWAATVSCB-INIZCTEOSA-N 2 2 347.423 -0.231 20 30 EBEDLP [NH2+]=C(NCCCC[NH+]1CCOCC1)NCCC[NH+]1CCOCC1 ZINC000303889919 649992895 /nfs/dbraw/zinc/99/28/95/649992895.db2.gz MHMNDWGVUMEJAB-UHFFFAOYSA-N 3 2 327.473 -0.275 20 30 EBEDLP C[C@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000303884855 649993360 /nfs/dbraw/zinc/99/33/60/649993360.db2.gz MWLGYHXXCYYECD-MRXNPFEDSA-N 3 2 340.516 -0.504 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000909367188 650105174 /nfs/dbraw/zinc/10/51/74/650105174.db2.gz HMCQMGJFDFVJIA-HOTGVXAUSA-N 2 2 332.448 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+]([C@@H]2CCNC(=O)CC2)CC1 ZINC000909367188 650105176 /nfs/dbraw/zinc/10/51/76/650105176.db2.gz HMCQMGJFDFVJIA-HOTGVXAUSA-N 2 2 332.448 -0.103 20 30 EBEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](Cn3cccn3)[NH+](C)C)CC2)C1 ZINC000941436887 652737604 /nfs/dbraw/zinc/73/76/04/652737604.db2.gz KHOODSFMWQYXRE-KRWDZBQOSA-N 2 2 346.479 -0.172 20 30 EBEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941456934 652749211 /nfs/dbraw/zinc/74/92/11/652749211.db2.gz WJVAWPKJAYMGSD-NVXWUHKLSA-N 2 2 334.464 -0.443 20 30 EBEDLP C#CCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)CC2)C1 ZINC000941456934 652749215 /nfs/dbraw/zinc/74/92/15/652749215.db2.gz WJVAWPKJAYMGSD-NVXWUHKLSA-N 2 2 334.464 -0.443 20 30 EBEDLP C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000958521230 722385955 /nfs/dbraw/zinc/38/59/55/722385955.db2.gz FFJOHEUNWIVZSU-CJNGLKHVSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[N@@H+]1C[C@H](O)[C@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000958521230 722385958 /nfs/dbraw/zinc/38/59/58/722385958.db2.gz FFJOHEUNWIVZSU-CJNGLKHVSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[N@@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC000958521231 722386039 /nfs/dbraw/zinc/38/60/39/722386039.db2.gz FFJOHEUNWIVZSU-CZUORRHYSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[N@H+]1C[C@@H](CNC(=O)c2cnn(-c3cc[nH+]cc3)c2)[C@H](O)C1 ZINC000958521231 722386040 /nfs/dbraw/zinc/38/60/40/722386040.db2.gz FFJOHEUNWIVZSU-CZUORRHYSA-N 2 2 325.372 -0.077 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](CC(=O)NC)CC[C@@H]2C)CC1 ZINC000968681173 725101206 /nfs/dbraw/zinc/10/12/06/725101206.db2.gz HEDYOGJKMWHCTN-GOEBONIOSA-N 2 2 334.464 -0.096 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](CC(=O)NC)CC[C@@H]2C)CC1 ZINC000968681173 725101207 /nfs/dbraw/zinc/10/12/07/725101207.db2.gz HEDYOGJKMWHCTN-GOEBONIOSA-N 2 2 334.464 -0.096 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996062377 726328298 /nfs/dbraw/zinc/32/82/98/726328298.db2.gz YXDQHGOQIPPGJU-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(NC(=O)Cn2c[nH+]cc2C)C1 ZINC000996062377 726328299 /nfs/dbraw/zinc/32/82/99/726328299.db2.gz YXDQHGOQIPPGJU-HNNXBMFYSA-N 2 2 329.404 -0.384 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@H+](CC(=O)N(C)C)CC1 ZINC001000792444 726577866 /nfs/dbraw/zinc/57/78/66/726577866.db2.gz ZGZLZFBBPQAKFL-INIZCTEOSA-N 2 2 332.448 -0.080 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC1=CC[N@@H+](CC(=O)N(C)C)CC1 ZINC001000792444 726577867 /nfs/dbraw/zinc/57/78/67/726577867.db2.gz ZGZLZFBBPQAKFL-INIZCTEOSA-N 2 2 332.448 -0.080 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)N(C)C)CC1 ZINC001000792444 726577868 /nfs/dbraw/zinc/57/78/68/726577868.db2.gz ZGZLZFBBPQAKFL-INIZCTEOSA-N 2 2 332.448 -0.080 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CC(=O)N(C)C)CC1 ZINC001000792444 726577869 /nfs/dbraw/zinc/57/78/69/726577869.db2.gz ZGZLZFBBPQAKFL-INIZCTEOSA-N 2 2 332.448 -0.080 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001009624942 726941107 /nfs/dbraw/zinc/94/11/07/726941107.db2.gz BVIAGCIUXJHPPK-JKSUJKDBSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+]([C@@H]3CCNC3=O)C2)CC1 ZINC001009624942 726941110 /nfs/dbraw/zinc/94/11/10/726941110.db2.gz BVIAGCIUXJHPPK-JKSUJKDBSA-N 2 2 332.448 -0.199 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1 ZINC001052037650 735515503 /nfs/dbraw/zinc/51/55/03/735515503.db2.gz OSNAGWLLTZNCJX-MSOLQXFVSA-N 2 2 348.491 -0.315 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](CCCO)CC2)C1 ZINC001052037650 735515506 /nfs/dbraw/zinc/51/55/06/735515506.db2.gz OSNAGWLLTZNCJX-MSOLQXFVSA-N 2 2 348.491 -0.315 20 30 EBEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043481 735518120 /nfs/dbraw/zinc/51/81/20/735518120.db2.gz ZMODINAEGDHSPQ-KZNAEPCWSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CCC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H](C)O3)C2)CC1 ZINC001052043481 735518121 /nfs/dbraw/zinc/51/81/21/735518121.db2.gz ZMODINAEGDHSPQ-KZNAEPCWSA-N 2 2 348.491 -0.053 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024021678 729830483 /nfs/dbraw/zinc/83/04/83/729830483.db2.gz ILTJUXUTCMSNBS-CABCVRRESA-N 2 2 345.451 -0.364 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]Cc2nnn(C)n2)C1 ZINC001024021678 729830485 /nfs/dbraw/zinc/83/04/85/729830485.db2.gz ILTJUXUTCMSNBS-CABCVRRESA-N 2 2 345.451 -0.364 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CCn1cncn1 ZINC001027940065 730249425 /nfs/dbraw/zinc/24/94/25/730249425.db2.gz FZZSZGVSGRNOQR-CVEARBPZSA-N 2 2 330.436 -0.044 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CCn1cncn1 ZINC001027940065 730249429 /nfs/dbraw/zinc/24/94/29/730249429.db2.gz FZZSZGVSGRNOQR-CVEARBPZSA-N 2 2 330.436 -0.044 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCn1cncn1 ZINC001027940065 730249432 /nfs/dbraw/zinc/24/94/32/730249432.db2.gz FZZSZGVSGRNOQR-CVEARBPZSA-N 2 2 330.436 -0.044 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCn1cncn1 ZINC001027940065 730249434 /nfs/dbraw/zinc/24/94/34/730249434.db2.gz FZZSZGVSGRNOQR-CVEARBPZSA-N 2 2 330.436 -0.044 20 30 EBEDLP C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709814 730343211 /nfs/dbraw/zinc/34/32/11/730343211.db2.gz OMFCSTVZVDZCLU-BBWFWOEESA-N 2 2 335.448 -0.063 20 30 EBEDLP C#CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1 ZINC001028709814 730343214 /nfs/dbraw/zinc/34/32/14/730343214.db2.gz OMFCSTVZVDZCLU-BBWFWOEESA-N 2 2 335.448 -0.063 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+](Cc3nnnn3C)C2)CC1 ZINC001029001803 730382307 /nfs/dbraw/zinc/38/23/07/730382307.db2.gz DOTDYCWQKWEBRA-CQSZACIVSA-N 2 2 345.451 -0.507 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+](Cc3nnnn3C)C2)CC1 ZINC001029001803 730382311 /nfs/dbraw/zinc/38/23/11/730382311.db2.gz DOTDYCWQKWEBRA-CQSZACIVSA-N 2 2 345.451 -0.507 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC2C[NH+](CC(=O)NC3CC3)C2)CC1 ZINC001032205552 730829213 /nfs/dbraw/zinc/82/92/13/730829213.db2.gz AMDJPVDBQDHYED-UHFFFAOYSA-N 2 2 332.448 -0.342 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@H](CC)C(N)=O)CC1 ZINC001032800460 730934547 /nfs/dbraw/zinc/93/45/47/730934547.db2.gz JYOTXGAGBIJQAY-HRCADAONSA-N 2 2 332.448 -0.119 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@H](CC)C(N)=O)CC1 ZINC001032800460 730934551 /nfs/dbraw/zinc/93/45/51/730934551.db2.gz JYOTXGAGBIJQAY-HRCADAONSA-N 2 2 332.448 -0.119 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3[C@@H](CC)C(N)=O)CC1 ZINC001032800461 730934698 /nfs/dbraw/zinc/93/46/98/730934698.db2.gz JYOTXGAGBIJQAY-JYJNAYRXSA-N 2 2 332.448 -0.119 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3[C@@H](CC)C(N)=O)CC1 ZINC001032800461 730934700 /nfs/dbraw/zinc/93/47/00/730934700.db2.gz JYOTXGAGBIJQAY-JYJNAYRXSA-N 2 2 332.448 -0.119 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032827122 730939602 /nfs/dbraw/zinc/93/96/02/730939602.db2.gz DPGWLSAEAWZLAN-HRCADAONSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032827122 730939605 /nfs/dbraw/zinc/93/96/05/730939605.db2.gz DPGWLSAEAWZLAN-HRCADAONSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032827122 730939608 /nfs/dbraw/zinc/93/96/08/730939608.db2.gz DPGWLSAEAWZLAN-HRCADAONSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032827122 730939610 /nfs/dbraw/zinc/93/96/10/730939610.db2.gz DPGWLSAEAWZLAN-HRCADAONSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032837192 730942356 /nfs/dbraw/zinc/94/23/56/730942356.db2.gz DPGWLSAEAWZLAN-OWCLPIDISA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032837192 730942362 /nfs/dbraw/zinc/94/23/62/730942362.db2.gz DPGWLSAEAWZLAN-OWCLPIDISA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032837192 730942364 /nfs/dbraw/zinc/94/23/64/730942364.db2.gz DPGWLSAEAWZLAN-OWCLPIDISA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+]([C@@H]2CCCN(C)C2=O)C1 ZINC001032837192 730942367 /nfs/dbraw/zinc/94/23/67/730942367.db2.gz DPGWLSAEAWZLAN-OWCLPIDISA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@H+](CCn2cccn2)C[C@@H]1O ZINC001047415239 734182314 /nfs/dbraw/zinc/18/23/14/734182314.db2.gz PEHAFPQTEBLLHR-ULQDDVLXSA-N 2 2 345.447 -0.516 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)[C@H]1C[N@@H+](CCn2cccn2)C[C@@H]1O ZINC001047415239 734182316 /nfs/dbraw/zinc/18/23/16/734182316.db2.gz PEHAFPQTEBLLHR-ULQDDVLXSA-N 2 2 345.447 -0.516 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047415239 734182318 /nfs/dbraw/zinc/18/23/18/734182318.db2.gz PEHAFPQTEBLLHR-ULQDDVLXSA-N 2 2 345.447 -0.516 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1C[NH+](CCn2cccn2)C[C@@H]1O ZINC001047415239 734182320 /nfs/dbraw/zinc/18/23/20/734182320.db2.gz PEHAFPQTEBLLHR-ULQDDVLXSA-N 2 2 345.447 -0.516 20 30 EBEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905588 740612550 /nfs/dbraw/zinc/61/25/50/740612550.db2.gz FQHVSTMLIYZTAR-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=C(C)CC[NH+]1C[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905588 740612551 /nfs/dbraw/zinc/61/25/51/740612551.db2.gz FQHVSTMLIYZTAR-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=C(C)CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905588 740612553 /nfs/dbraw/zinc/61/25/53/740612553.db2.gz FQHVSTMLIYZTAR-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C=C(C)CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)[C@@H](n2ccnn2)C1 ZINC001069905588 740612554 /nfs/dbraw/zinc/61/25/54/740612554.db2.gz FQHVSTMLIYZTAR-OWCLPIDISA-N 2 2 348.451 -0.084 20 30 EBEDLP C#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCc3[nH+]ccn3C2)C[C@@H]1n1ccnn1 ZINC001070220508 740755129 /nfs/dbraw/zinc/75/51/29/740755129.db2.gz JIJWWCQSCXCVAR-KFWWJZLASA-N 2 2 339.403 -0.288 20 30 EBEDLP C#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015209 742696432 /nfs/dbraw/zinc/69/64/32/742696432.db2.gz HELIRNFYSAKEEO-VQHPVUNQSA-N 2 2 335.448 -0.472 20 30 EBEDLP C#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001077015209 742696434 /nfs/dbraw/zinc/69/64/34/742696434.db2.gz HELIRNFYSAKEEO-VQHPVUNQSA-N 2 2 335.448 -0.472 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@H+](Cc3cnn(C)c3)C[C@H]2O)CC1 ZINC001078228445 743546484 /nfs/dbraw/zinc/54/64/84/743546484.db2.gz QQDSNFOLYZGZAK-IAGOWNOFSA-N 2 2 345.447 -0.573 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2O)CC1 ZINC001078228445 743546487 /nfs/dbraw/zinc/54/64/87/743546487.db2.gz QQDSNFOLYZGZAK-IAGOWNOFSA-N 2 2 345.447 -0.573 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(=O)NC)C2)CC1 ZINC001035724510 811003013 /nfs/dbraw/zinc/00/30/13/811003013.db2.gz KAEMMZARCOFJTK-HNNXBMFYSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CC(=O)NC)C2)CC1 ZINC001035724510 811003019 /nfs/dbraw/zinc/00/30/19/811003019.db2.gz KAEMMZARCOFJTK-HNNXBMFYSA-N 2 2 332.448 -0.246 20 30 EBEDLP 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331.420 -0.090 20 30 EBEDLP COCC#CC[N@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001278865467 817873493 /nfs/dbraw/zinc/87/34/93/817873493.db2.gz YUTQLHCUGYALDQ-HNNXBMFYSA-N 2 2 336.436 -0.246 20 30 EBEDLP COCC#CC[N@@H+](C)C[C@H](O)CN(C)C(=O)CCc1[nH+]ccn1C ZINC001278865467 817873502 /nfs/dbraw/zinc/87/35/02/817873502.db2.gz YUTQLHCUGYALDQ-HNNXBMFYSA-N 2 2 336.436 -0.246 20 30 EBEDLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282063895 818352476 /nfs/dbraw/zinc/35/24/76/818352476.db2.gz KPDZNSAARVQRJA-HIFPTAJRSA-N 2 2 332.408 -0.288 20 30 EBEDLP C[C@@H](Cc1c[nH+]c[nH]1)C(=O)NC1CC(C[NH2+]CC(=O)NCC#N)C1 ZINC001282063895 818352485 /nfs/dbraw/zinc/35/24/85/818352485.db2.gz KPDZNSAARVQRJA-HIFPTAJRSA-N 2 2 332.408 -0.288 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094745966 818406309 /nfs/dbraw/zinc/40/63/09/818406309.db2.gz PDKCFTRBRYOUCY-WBVHZDCISA-N 2 2 344.459 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC(=O)N(C2C[NH+](CC3CC3)C2)C1 ZINC001094745966 818406313 /nfs/dbraw/zinc/40/63/13/818406313.db2.gz PDKCFTRBRYOUCY-WBVHZDCISA-N 2 2 344.459 -0.105 20 30 EBEDLP CC[N@H+](C)CCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096288493 818784567 /nfs/dbraw/zinc/78/45/67/818784567.db2.gz MCYBSTCHDPAQFJ-UHFFFAOYSA-N 2 2 345.451 -0.072 20 30 EBEDLP CC[N@@H+](C)CCC(=O)NCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC001096288493 818784571 /nfs/dbraw/zinc/78/45/71/818784571.db2.gz MCYBSTCHDPAQFJ-UHFFFAOYSA-N 2 2 345.451 -0.072 20 30 EBEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001098649323 819295744 /nfs/dbraw/zinc/29/57/44/819295744.db2.gz PESOXJIOTKFSKG-JKSUJKDBSA-N 2 2 346.435 -0.505 20 30 EBEDLP C#CCC[NH2+]Cc1cn([C@H]2CCN(C(=O)[C@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001098649323 819295749 /nfs/dbraw/zinc/29/57/49/819295749.db2.gz PESOXJIOTKFSKG-JKSUJKDBSA-N 2 2 346.435 -0.505 20 30 EBEDLP COc1cc[nH+]cc1CC(=O)N(C)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284774104 819351426 /nfs/dbraw/zinc/35/14/26/819351426.db2.gz OUOJXAIWBIATQA-UHFFFAOYSA-N 2 2 345.403 -0.149 20 30 EBEDLP CC#CC[NH2+]Cc1cn([C@@H]2CCN(C(=O)COCC[NH+](C)C)C2)nn1 ZINC001098766628 819358177 /nfs/dbraw/zinc/35/81/77/819358177.db2.gz DPVPXQGSWNRUTH-MRXNPFEDSA-N 2 2 348.451 -0.257 20 30 EBEDLP CN(C(=O)C(C)(C)c1c[nH+]c[nH]1)C1CC([NH2+]CC(=O)NCC#N)C1 ZINC001284816836 819359761 /nfs/dbraw/zinc/35/97/61/819359761.db2.gz ZEFJYVBEMPSNLF-UHFFFAOYSA-N 2 2 332.408 -0.094 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001100078433 820175433 /nfs/dbraw/zinc/17/54/33/820175433.db2.gz IYKBUOSQOKVKJN-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C=CCNC(=O)C[NH+]1CC[C@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001100078433 820175439 /nfs/dbraw/zinc/17/54/39/820175439.db2.gz IYKBUOSQOKVKJN-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078433 820175443 /nfs/dbraw/zinc/17/54/43/820175443.db2.gz IYKBUOSQOKVKJN-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001100078433 820175450 /nfs/dbraw/zinc/17/54/50/820175450.db2.gz IYKBUOSQOKVKJN-GJZGRUSLSA-N 2 2 340.468 -0.428 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)Cc2c[nH+]ccc2OC)C1 ZINC001100440439 820422457 /nfs/dbraw/zinc/42/24/57/820422457.db2.gz VXOFEOMTCLGDMB-UHFFFAOYSA-N 2 2 344.415 -0.134 20 30 EBEDLP N#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC001100462528 820430662 /nfs/dbraw/zinc/43/06/62/820430662.db2.gz QUTRHWWYMMLCGM-ROKHWSDSSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]C1CC(CNC(=O)CCn2cc[nH+]c2)C1 ZINC001100551849 820466941 /nfs/dbraw/zinc/46/69/41/820466941.db2.gz XMPKWRNLJYSGLZ-WLYUNCDWSA-N 2 2 331.420 -0.105 20 30 EBEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001100633978 820496732 /nfs/dbraw/zinc/49/67/32/820496732.db2.gz YTCQWPUMPFLQFO-XUJLQICISA-N 2 2 331.420 -0.035 20 30 EBEDLP C#CCC[NH2+]C1CC(CNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001100633978 820496740 /nfs/dbraw/zinc/49/67/40/820496740.db2.gz YTCQWPUMPFLQFO-XUJLQICISA-N 2 2 331.420 -0.035 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461809 820798686 /nfs/dbraw/zinc/79/86/86/820798686.db2.gz UUSHWEUXEXYBEA-QAPCUYQASA-N 2 2 343.431 -0.279 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CN(C(=O)Cn3cc[nH+]c3C)C[C@]2(C)C1 ZINC001101461809 820798692 /nfs/dbraw/zinc/79/86/92/820798692.db2.gz UUSHWEUXEXYBEA-QAPCUYQASA-N 2 2 343.431 -0.279 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514970 821136177 /nfs/dbraw/zinc/13/61/77/821136177.db2.gz WXEGOOVWTVDTDY-QLFBSQMISA-N 2 2 345.447 -0.215 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CNC(=O)Cc2c[nH+]cn2C)[C@H](C)C1 ZINC001102514970 821136187 /nfs/dbraw/zinc/13/61/87/821136187.db2.gz WXEGOOVWTVDTDY-QLFBSQMISA-N 2 2 345.447 -0.215 20 30 EBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290545 821285271 /nfs/dbraw/zinc/28/52/71/821285271.db2.gz VKGQBZWNLADHNU-HUUCEWRRSA-N 2 2 346.435 -0.013 20 30 EBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)CCn1cc[nH+]c1 ZINC001103290545 821285279 /nfs/dbraw/zinc/28/52/79/821285279.db2.gz VKGQBZWNLADHNU-HUUCEWRRSA-N 2 2 346.435 -0.013 20 30 EBEDLP C[C@@H]1C[N@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643752 821335285 /nfs/dbraw/zinc/33/52/85/821335285.db2.gz PCZXDAAHDVNQML-ZIAGYGMSSA-N 2 2 346.435 -0.323 20 30 EBEDLP C[C@@H]1C[N@@H+](CC(=O)NCC#N)C[C@H]1CCNC(=O)Cc1c[nH+]cn1C ZINC001103643752 821335293 /nfs/dbraw/zinc/33/52/93/821335293.db2.gz PCZXDAAHDVNQML-ZIAGYGMSSA-N 2 2 346.435 -0.323 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643733 821336203 /nfs/dbraw/zinc/33/62/03/821336203.db2.gz ODPCSNXPIBXYII-HUUCEWRRSA-N 2 2 345.447 -0.214 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CCNC(=O)Cc2c[nH+]cn2C)C1 ZINC001103643733 821336207 /nfs/dbraw/zinc/33/62/07/821336207.db2.gz ODPCSNXPIBXYII-HUUCEWRRSA-N 2 2 345.447 -0.214 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)NCC#N)C1 ZINC001104954512 821566265 /nfs/dbraw/zinc/56/62/65/821566265.db2.gz FXGGIXLFBSBDKC-TZMCWYRMSA-N 2 2 346.435 -0.025 20 30 EBEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)nn1 ZINC001105199928 821615354 /nfs/dbraw/zinc/61/53/54/821615354.db2.gz OSCNEQXNOMIZIO-HNNXBMFYSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)nn1 ZINC001105199928 821615358 /nfs/dbraw/zinc/61/53/58/821615358.db2.gz OSCNEQXNOMIZIO-HNNXBMFYSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317160895 822023883 /nfs/dbraw/zinc/02/38/83/822023883.db2.gz CRDRXCVKAMTZNQ-GJZGRUSLSA-N 2 2 345.447 -0.071 20 30 EBEDLP Cn1c[nH+]cc1CCC(=O)N1CCC[C@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001317163205 822024971 /nfs/dbraw/zinc/02/49/71/822024971.db2.gz SDMBXPMOXGHIGH-CQSZACIVSA-N 2 2 346.435 -0.179 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@@H](NC(=O)COCC[NH+](C)C)CC2 ZINC001128060459 828407622 /nfs/dbraw/zinc/40/76/22/828407622.db2.gz ZOLCMXGPZXDMSG-AWEZNQCLSA-N 2 2 348.451 -0.600 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1C ZINC001106498902 822278627 /nfs/dbraw/zinc/27/86/27/822278627.db2.gz WGVCTDUIZBSUJC-HUUCEWRRSA-N 2 2 331.420 -0.293 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001318543115 822334915 /nfs/dbraw/zinc/33/49/15/822334915.db2.gz WLNNNAJKBRQVOG-KGLIPLIRSA-N 2 2 331.420 -0.321 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433934 828618815 /nfs/dbraw/zinc/61/88/15/828618815.db2.gz ZKVHHCNSMFNKBK-CVEARBPZSA-N 2 2 348.451 -0.082 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](n2ccnn2)C1 ZINC001129433934 828618820 /nfs/dbraw/zinc/61/88/20/828618820.db2.gz ZKVHHCNSMFNKBK-CVEARBPZSA-N 2 2 348.451 -0.082 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490707 828625925 /nfs/dbraw/zinc/62/59/25/828625925.db2.gz KUIAPBHMBIOYFK-CABCVRRESA-N 2 2 345.407 -0.281 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2)[C@@H](n2ccnn2)C1 ZINC001129490707 828625929 /nfs/dbraw/zinc/62/59/29/828625929.db2.gz KUIAPBHMBIOYFK-CABCVRRESA-N 2 2 345.407 -0.281 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC2=O)C1 ZINC001108552675 824364690 /nfs/dbraw/zinc/36/46/90/824364690.db2.gz RSJFSSDJFTXIME-AWEZNQCLSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCO ZINC001109414756 824536052 /nfs/dbraw/zinc/53/60/52/824536052.db2.gz JSESJPDFVKZDHL-QZWWFDLISA-N 2 2 335.448 -0.186 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CCOCCO ZINC001109414756 824536055 /nfs/dbraw/zinc/53/60/55/824536055.db2.gz JSESJPDFVKZDHL-QZWWFDLISA-N 2 2 335.448 -0.186 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109414756 824536057 /nfs/dbraw/zinc/53/60/57/824536057.db2.gz JSESJPDFVKZDHL-QZWWFDLISA-N 2 2 335.448 -0.186 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2CCOCCO ZINC001109414756 824536061 /nfs/dbraw/zinc/53/60/61/824536061.db2.gz JSESJPDFVKZDHL-QZWWFDLISA-N 2 2 335.448 -0.186 20 30 EBEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)C1CC1 ZINC001110661922 824768263 /nfs/dbraw/zinc/76/82/63/824768263.db2.gz DMCXXIPACSBJBX-HGTKMLMNSA-N 2 2 333.436 -0.312 20 30 EBEDLP C[NH+](C)[C@@H](C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)C1CC1 ZINC001110661922 824768268 /nfs/dbraw/zinc/76/82/68/824768268.db2.gz DMCXXIPACSBJBX-HGTKMLMNSA-N 2 2 333.436 -0.312 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@@H]1C)C2 ZINC001111021215 824838021 /nfs/dbraw/zinc/83/80/21/824838021.db2.gz PQWKYXQUHXLESY-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1C)C2 ZINC001111021215 824838029 /nfs/dbraw/zinc/83/80/29/824838029.db2.gz PQWKYXQUHXLESY-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021215 824838036 /nfs/dbraw/zinc/83/80/36/824838036.db2.gz PQWKYXQUHXLESY-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@@H]1C)C2 ZINC001111021215 824838043 /nfs/dbraw/zinc/83/80/43/824838043.db2.gz PQWKYXQUHXLESY-JJXSEGSLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@H+](C)CCO2)C1 ZINC001111678804 825262076 /nfs/dbraw/zinc/26/20/76/825262076.db2.gz VXGWPEKWUMGGTJ-MPGHIAIKSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001111678804 825262083 /nfs/dbraw/zinc/26/20/83/825262083.db2.gz VXGWPEKWUMGGTJ-MPGHIAIKSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678804 825262091 /nfs/dbraw/zinc/26/20/91/825262091.db2.gz VXGWPEKWUMGGTJ-MPGHIAIKSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001111678804 825262099 /nfs/dbraw/zinc/26/20/99/825262099.db2.gz VXGWPEKWUMGGTJ-MPGHIAIKSA-N 2 2 348.447 -0.963 20 30 EBEDLP C#CC[NH2+]C[C@@H]1OCC[C@@H]1c1nc(CNC(=O)[C@H](CC)[NH+](C)C)n[nH]1 ZINC001130237916 828763477 /nfs/dbraw/zinc/76/34/77/828763477.db2.gz JRFUAJOXBWKULR-IHRRRGAJSA-N 2 2 348.451 -0.144 20 30 EBEDLP CCN(CCC#N)C(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342387 826514797 /nfs/dbraw/zinc/51/47/97/826514797.db2.gz WVDXMOPRRBUVAA-HALDLXJZSA-N 2 2 344.419 -0.308 20 30 EBEDLP CCN(CCC#N)C(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cc[nH+]c1 ZINC001115342387 826514800 /nfs/dbraw/zinc/51/48/00/826514800.db2.gz WVDXMOPRRBUVAA-HALDLXJZSA-N 2 2 344.419 -0.308 20 30 EBEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC001121553306 827395694 /nfs/dbraw/zinc/39/56/94/827395694.db2.gz RLQVJVFUDVZPKG-CHWSQXEVSA-N 2 2 348.407 -0.530 20 30 EBEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@H+]2CCOC[C@H]2C1 ZINC001121553306 827395700 /nfs/dbraw/zinc/39/57/00/827395700.db2.gz RLQVJVFUDVZPKG-CHWSQXEVSA-N 2 2 348.407 -0.530 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555805 828881569 /nfs/dbraw/zinc/88/15/69/828881569.db2.gz LRKCRPZCXRVPKQ-UAGQMJEPSA-N 2 2 345.447 -0.342 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@@H]2C[N@@H+](C)CCO2)C[C@H]1c1cn(C)cn1 ZINC001130555805 828881577 /nfs/dbraw/zinc/88/15/77/828881577.db2.gz LRKCRPZCXRVPKQ-UAGQMJEPSA-N 2 2 345.447 -0.342 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789420 833370328 /nfs/dbraw/zinc/37/03/28/833370328.db2.gz UMFGBVJMWWRXIX-LSDHHAIUSA-N 2 2 331.420 -0.293 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCN(C(=O)Cn2cc[nH+]c2)C[C@@H]1C ZINC001185789418 833370343 /nfs/dbraw/zinc/37/03/43/833370343.db2.gz UMFGBVJMWWRXIX-GJZGRUSLSA-N 2 2 331.420 -0.293 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@@H+](CC(=O)NCC#N)C1 ZINC001132178589 829371298 /nfs/dbraw/zinc/37/12/98/829371298.db2.gz SNKSOPRWJJSLEF-OCCSQVGLSA-N 2 2 332.408 -0.200 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)N[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC001132178589 829371312 /nfs/dbraw/zinc/37/13/12/829371312.db2.gz SNKSOPRWJJSLEF-OCCSQVGLSA-N 2 2 332.408 -0.200 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487004 829465533 /nfs/dbraw/zinc/46/55/33/829465533.db2.gz QUZXQZJQPKWOBC-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H](NC(=O)Cn2cc[nH+]c2C)CC[C@H]1C ZINC001132487004 829465538 /nfs/dbraw/zinc/46/55/38/829465538.db2.gz QUZXQZJQPKWOBC-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP C[C@@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001135073607 829893647 /nfs/dbraw/zinc/89/36/47/829893647.db2.gz BBVWHDPILXCWGE-STQMWFEESA-N 2 2 334.424 -0.135 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@@H+](CC(=O)NCC=C)C2 ZINC001147737307 830404539 /nfs/dbraw/zinc/40/45/39/830404539.db2.gz ULSAADUSWHNNJJ-INIZCTEOSA-N 2 2 344.459 -0.080 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC2(C1)CC[N@H+](CC(=O)NCC=C)C2 ZINC001147737307 830404543 /nfs/dbraw/zinc/40/45/43/830404543.db2.gz ULSAADUSWHNNJJ-INIZCTEOSA-N 2 2 344.459 -0.080 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC=C)C2 ZINC001147737307 830404549 /nfs/dbraw/zinc/40/45/49/830404549.db2.gz ULSAADUSWHNNJJ-INIZCTEOSA-N 2 2 344.459 -0.080 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CC(=O)NCC=C)C2 ZINC001147737307 830404551 /nfs/dbraw/zinc/40/45/51/830404551.db2.gz ULSAADUSWHNNJJ-INIZCTEOSA-N 2 2 344.459 -0.080 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001149397933 830656827 /nfs/dbraw/zinc/65/68/27/830656827.db2.gz IIQGRMHFBPNUTH-GJZGRUSLSA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001149397933 830656836 /nfs/dbraw/zinc/65/68/36/830656836.db2.gz IIQGRMHFBPNUTH-GJZGRUSLSA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397933 830656841 /nfs/dbraw/zinc/65/68/41/830656841.db2.gz IIQGRMHFBPNUTH-GJZGRUSLSA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001149397933 830656848 /nfs/dbraw/zinc/65/68/48/830656848.db2.gz IIQGRMHFBPNUTH-GJZGRUSLSA-N 2 2 336.436 -0.963 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001150700562 830966274 /nfs/dbraw/zinc/96/62/74/830966274.db2.gz WYUSKIBJVJAMCL-LSDHHAIUSA-N 2 2 338.452 -0.553 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001150700562 830966281 /nfs/dbraw/zinc/96/62/81/830966281.db2.gz WYUSKIBJVJAMCL-LSDHHAIUSA-N 2 2 338.452 -0.553 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150700562 830966288 /nfs/dbraw/zinc/96/62/88/830966288.db2.gz WYUSKIBJVJAMCL-LSDHHAIUSA-N 2 2 338.452 -0.553 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001150700562 830966292 /nfs/dbraw/zinc/96/62/92/830966292.db2.gz WYUSKIBJVJAMCL-LSDHHAIUSA-N 2 2 338.452 -0.553 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717530 830969528 /nfs/dbraw/zinc/96/95/28/830969528.db2.gz XWLWVZOFKCAPFD-OAHLLOKOSA-N 2 2 336.436 -0.961 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@H](CNC(=O)C[NH+]2CCCC2)C1 ZINC001150717530 830969532 /nfs/dbraw/zinc/96/95/32/830969532.db2.gz XWLWVZOFKCAPFD-OAHLLOKOSA-N 2 2 336.436 -0.961 20 30 EBEDLP Cc1c[nH+]c2cc(C(=O)NCCC[NH2+]CC(=O)NCC#N)ccn12 ZINC001158061754 831624345 /nfs/dbraw/zinc/62/43/45/831624345.db2.gz FPZXSEOJFXMUHC-UHFFFAOYSA-N 2 2 328.376 -0.008 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@H+](CC(=O)NCC#N)CC1 ZINC001160677085 831877623 /nfs/dbraw/zinc/87/76/23/831877623.db2.gz PLSAFGFIIUQTPC-UHFFFAOYSA-N 2 2 344.419 -0.030 20 30 EBEDLP Cc1c[nH+]cn1CC(=O)NCCC1=CC[N@@H+](CC(=O)NCC#N)CC1 ZINC001160677085 831877631 /nfs/dbraw/zinc/87/76/31/831877631.db2.gz PLSAFGFIIUQTPC-UHFFFAOYSA-N 2 2 344.419 -0.030 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001161314526 831947291 /nfs/dbraw/zinc/94/72/91/831947291.db2.gz BSJNSKJIKBSHQJ-KGLIPLIRSA-N 2 2 331.420 -0.321 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCCNC(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001161309352 831947295 /nfs/dbraw/zinc/94/72/95/831947295.db2.gz MDWSHFLPIMYVDR-ZIAGYGMSSA-N 2 2 331.420 -0.321 20 30 EBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@H+]1CCCC ZINC001163274834 832095196 /nfs/dbraw/zinc/09/51/96/832095196.db2.gz HVOKEYUTUYIXDP-HNNXBMFYSA-N 2 2 340.468 -0.115 20 30 EBEDLP C=CCNC(=O)C[NH2+]CCCNC(=O)[C@@H]1COCC[N@@H+]1CCCC ZINC001163274834 832095201 /nfs/dbraw/zinc/09/52/01/832095201.db2.gz HVOKEYUTUYIXDP-HNNXBMFYSA-N 2 2 340.468 -0.115 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289529 837599328 /nfs/dbraw/zinc/59/93/28/837599328.db2.gz KMCOUXAMNDRYFZ-GVDBMIGSSA-N 2 2 335.448 -0.207 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](OC)C1 ZINC001212289529 837599336 /nfs/dbraw/zinc/59/93/36/837599336.db2.gz KMCOUXAMNDRYFZ-GVDBMIGSSA-N 2 2 335.448 -0.207 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cn1cc[nH+]c1 ZINC001177415068 832780750 /nfs/dbraw/zinc/78/07/50/832780750.db2.gz MHZZIIJHNZBLPF-LBPRGKRZSA-N 2 2 336.396 -0.621 20 30 EBEDLP C[NH+](C)[C@H](C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1)c1cccnc1 ZINC001188173451 834018842 /nfs/dbraw/zinc/01/88/42/834018842.db2.gz ZNGTZDSECIESIE-ZBFHGGJFSA-N 2 2 344.419 -0.485 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194039867 835005970 /nfs/dbraw/zinc/00/59/70/835005970.db2.gz NHVQDZBONSVHDB-ZFWWWQNUSA-N 2 2 331.420 -0.138 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194039867 835005982 /nfs/dbraw/zinc/00/59/82/835005982.db2.gz NHVQDZBONSVHDB-ZFWWWQNUSA-N 2 2 331.420 -0.138 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194039865 835006548 /nfs/dbraw/zinc/00/65/48/835006548.db2.gz NHVQDZBONSVHDB-UKRRQHHQSA-N 2 2 331.420 -0.138 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+](C)[C@@H]1CCN(C(=O)Cn2cc[nH+]c2C)C1 ZINC001194039865 835006560 /nfs/dbraw/zinc/00/65/60/835006560.db2.gz NHVQDZBONSVHDB-UKRRQHHQSA-N 2 2 331.420 -0.138 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449469 835105345 /nfs/dbraw/zinc/10/53/45/835105345.db2.gz TYUJWPLOLGWOOU-ZDUSSCGKSA-N 2 2 348.407 -0.572 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)[C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001194449469 835105348 /nfs/dbraw/zinc/10/53/48/835105348.db2.gz TYUJWPLOLGWOOU-ZDUSSCGKSA-N 2 2 348.407 -0.572 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C2)C1=O ZINC001197536664 835574832 /nfs/dbraw/zinc/57/48/32/835574832.db2.gz YZIBSBNYUYYUSB-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([NH+]2C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C2)C1=O ZINC001197536664 835574843 /nfs/dbraw/zinc/57/48/43/835574843.db2.gz YZIBSBNYUYYUSB-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001197536664 835574854 /nfs/dbraw/zinc/57/48/54/835574854.db2.gz YZIBSBNYUYYUSB-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C2)C1=O ZINC001197536664 835574866 /nfs/dbraw/zinc/57/48/66/835574866.db2.gz YZIBSBNYUYYUSB-QLFBSQMISA-N 2 2 338.452 -0.724 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832827 835615120 /nfs/dbraw/zinc/61/51/20/835615120.db2.gz PMBCUKCGPNPJGF-HNNXBMFYSA-N 2 2 340.468 -0.210 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)COCC[NH+](C)C)CC1 ZINC001197832827 835615124 /nfs/dbraw/zinc/61/51/24/835615124.db2.gz PMBCUKCGPNPJGF-HNNXBMFYSA-N 2 2 340.468 -0.210 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197834237 835615451 /nfs/dbraw/zinc/61/54/51/835615451.db2.gz VKBBHMJDUOLJET-GDBMZVCRSA-N 2 2 332.404 -0.428 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001197834237 835615453 /nfs/dbraw/zinc/61/54/53/835615453.db2.gz VKBBHMJDUOLJET-GDBMZVCRSA-N 2 2 332.404 -0.428 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106320 835641388 /nfs/dbraw/zinc/64/13/88/835641388.db2.gz SDVCOVREGFIFPJ-CQSZACIVSA-N 2 2 331.420 -0.136 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CCCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC001198106320 835641393 /nfs/dbraw/zinc/64/13/93/835641393.db2.gz SDVCOVREGFIFPJ-CQSZACIVSA-N 2 2 331.420 -0.136 20 30 EBEDLP C=CC[NH2+]C[C@@H]1CN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)CCCO1 ZINC001201320306 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730942380 /nfs/dbraw/zinc/94/23/80/730942380.db2.gz SDXLMTVTGROPMT-IKGGRYGDSA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001032837159 730942382 /nfs/dbraw/zinc/94/23/82/730942382.db2.gz SDXLMTVTGROPMT-IKGGRYGDSA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)Cn2cccn2)C1 ZINC001032837159 730942384 /nfs/dbraw/zinc/94/23/84/730942384.db2.gz SDXLMTVTGROPMT-IKGGRYGDSA-N 2 2 345.447 -0.468 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2[C@@H]2CCN(C)C2=O)CC1 ZINC001039042079 731409786 /nfs/dbraw/zinc/40/97/86/731409786.db2.gz LVSPJYIRBJQHRC-JKSUJKDBSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2[C@@H]2CCN(C)C2=O)CC1 ZINC001039042079 731409787 /nfs/dbraw/zinc/40/97/87/731409787.db2.gz LVSPJYIRBJQHRC-JKSUJKDBSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC(N)=O)C2 ZINC001040244362 731662513 /nfs/dbraw/zinc/66/25/13/731662513.db2.gz 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ZINC001077158840 742759854 /nfs/dbraw/zinc/75/98/54/742759854.db2.gz AWIQTEXTNOCSBP-IXDOHACOSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1C[N@@H+](CCc2cnn(C)c2)C[C@H]1O ZINC001077158840 742759858 /nfs/dbraw/zinc/75/98/58/742759858.db2.gz AWIQTEXTNOCSBP-IXDOHACOSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077158840 742759862 /nfs/dbraw/zinc/75/98/62/742759862.db2.gz AWIQTEXTNOCSBP-IXDOHACOSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCc2cnn(C)c2)C[C@H]1O ZINC001077158840 742759864 /nfs/dbraw/zinc/75/98/64/742759864.db2.gz AWIQTEXTNOCSBP-IXDOHACOSA-N 2 2 345.447 -0.779 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]c[nH+]2)C[C@H]1C ZINC001214892386 810289200 /nfs/dbraw/zinc/28/92/00/810289200.db2.gz MCSVFSXMJGFZSX-RGCMKSIDSA-N 2 2 329.404 -0.301 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCn3c[nH+]cc3C2)C[C@H]1C ZINC001214986198 810297970 /nfs/dbraw/zinc/29/79/70/810297970.db2.gz BFSGCUMMSLBKQF-IJEWVQPXSA-N 2 2 343.431 -0.369 20 30 EBEDLP C[C@@H]1CN(C(=O)[C@H]2CCCc3[nH+]c[nH]c32)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001215514750 810333082 /nfs/dbraw/zinc/33/30/82/810333082.db2.gz ZKPNQMSUYKYFFF-MBNYWOFBSA-N 2 2 344.419 -0.094 20 30 EBEDLP C[C@H](CC(=O)N1C[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1)n1cc[nH+]c1 ZINC001215705777 810341043 /nfs/dbraw/zinc/34/10/43/810341043.db2.gz QOIRYBPCNKSJGD-MGPQQGTHSA-N 2 2 332.408 -0.090 20 30 EBEDLP C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(C[C@H]([NH3+])C(=O)ON2C(=O)CCC2=O)cc1 ZINC001218384125 810489222 /nfs/dbraw/zinc/48/92/22/810489222.db2.gz CMXROCHCFGJZSJ-BPNCWPANSA-N 2 2 347.371 -0.097 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582079 810507052 /nfs/dbraw/zinc/50/70/52/810507052.db2.gz LVAHIYFDVHFHRX-SOUVJXGZSA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@H]2OCCN(C(=O)CC[NH+](C)C)[C@H]2C1 ZINC001218582079 810507059 /nfs/dbraw/zinc/50/70/59/810507059.db2.gz LVAHIYFDVHFHRX-SOUVJXGZSA-N 2 2 338.452 -0.460 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815803 810861023 /nfs/dbraw/zinc/86/10/23/810861023.db2.gz KTVPODLOJBEJPM-CFVMTHIKSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](O)C1 ZINC001219815803 810861031 /nfs/dbraw/zinc/86/10/31/810861031.db2.gz KTVPODLOJBEJPM-CFVMTHIKSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815803 810861039 /nfs/dbraw/zinc/86/10/39/810861039.db2.gz KTVPODLOJBEJPM-CFVMTHIKSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C2CCC2)[C@@H](O)C1 ZINC001219815803 810861044 /nfs/dbraw/zinc/86/10/44/810861044.db2.gz KTVPODLOJBEJPM-CFVMTHIKSA-N 2 2 338.452 -0.677 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894099 810897256 /nfs/dbraw/zinc/89/72/56/810897256.db2.gz VCMVKZXVGWFAQF-IMJJTQAJSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894099 810897264 /nfs/dbraw/zinc/89/72/64/810897264.db2.gz VCMVKZXVGWFAQF-IMJJTQAJSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894098 810897855 /nfs/dbraw/zinc/89/78/55/810897855.db2.gz VCMVKZXVGWFAQF-BMFZPTHFSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)[C@@H](O)C1 ZINC001219894098 810897870 /nfs/dbraw/zinc/89/78/70/810897870.db2.gz VCMVKZXVGWFAQF-BMFZPTHFSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233586 811029158 /nfs/dbraw/zinc/02/91/58/811029158.db2.gz BHUQJMYGQORSKV-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](O)C1 ZINC001220233586 811029163 /nfs/dbraw/zinc/02/91/63/811029163.db2.gz BHUQJMYGQORSKV-MJBXVCDLSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584886 811167590 /nfs/dbraw/zinc/16/75/90/811167590.db2.gz NPOUFDKRFUETGC-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H](O)C1 ZINC001220584886 811167595 /nfs/dbraw/zinc/16/75/95/811167595.db2.gz NPOUFDKRFUETGC-MCIONIFRSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798580 811247131 /nfs/dbraw/zinc/24/71/31/811247131.db2.gz BONVRNOUTOHOIM-ZNMIVQPWSA-N 2 2 340.468 -0.430 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798580 811247136 /nfs/dbraw/zinc/24/71/36/811247136.db2.gz BONVRNOUTOHOIM-ZNMIVQPWSA-N 2 2 340.468 -0.430 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@@H+](C)CCC)[C@@H](O)C1 ZINC001220816991 811253305 /nfs/dbraw/zinc/25/33/05/811253305.db2.gz KJXLWYPQSGOVLO-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](NC(=O)CC[N@H+](C)CCC)[C@@H](O)C1 ZINC001220816991 811253308 /nfs/dbraw/zinc/25/33/08/811253308.db2.gz KJXLWYPQSGOVLO-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816991 811253315 /nfs/dbraw/zinc/25/33/15/811253315.db2.gz KJXLWYPQSGOVLO-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CC[NH+](C)CCC)[C@@H](O)C1 ZINC001220816991 811253318 /nfs/dbraw/zinc/25/33/18/811253318.db2.gz KJXLWYPQSGOVLO-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620460 811500646 /nfs/dbraw/zinc/50/06/46/811500646.db2.gz GHUBHYRQQSLMFY-GDBMZVCRSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[NH+]1CC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)[C@@H]2C1 ZINC001221620460 811500652 /nfs/dbraw/zinc/50/06/52/811500652.db2.gz GHUBHYRQQSLMFY-GDBMZVCRSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620460 811500655 /nfs/dbraw/zinc/50/06/55/811500655.db2.gz GHUBHYRQQSLMFY-GDBMZVCRSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)[C@@H]2C1 ZINC001221620460 811500659 /nfs/dbraw/zinc/50/06/59/811500659.db2.gz GHUBHYRQQSLMFY-GDBMZVCRSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692580 811518717 /nfs/dbraw/zinc/51/87/17/811518717.db2.gz GOAQHCGLPLNXBH-ARFHVFGLSA-N 2 2 343.431 -0.138 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H]2CN(C(=O)Cn3c[nH+]cc3C)[C@@H]2C1 ZINC001221692580 811518723 /nfs/dbraw/zinc/51/87/23/811518723.db2.gz GOAQHCGLPLNXBH-ARFHVFGLSA-N 2 2 343.431 -0.138 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001222682417 811653887 /nfs/dbraw/zinc/65/38/87/811653887.db2.gz ROSBTJCYSQAPJJ-OAHLLOKOSA-N 2 2 338.452 -0.553 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001222682417 811653890 /nfs/dbraw/zinc/65/38/90/811653890.db2.gz ROSBTJCYSQAPJJ-OAHLLOKOSA-N 2 2 338.452 -0.553 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH]c[nH+]2)CC1 ZINC001224672547 811771136 /nfs/dbraw/zinc/77/11/36/811771136.db2.gz JMOOXMRQHIINSX-ZDUSSCGKSA-N 2 2 331.420 -0.082 20 30 EBEDLP C#CCNC(=O)C[NH+]1CCC(NC(=O)CC[NH+]2CCOCC2)CC1 ZINC001229625467 812045139 /nfs/dbraw/zinc/04/51/39/812045139.db2.gz HRMVOPUFNQRCCP-UHFFFAOYSA-N 2 2 336.436 -0.961 20 30 EBEDLP CS(=O)(=O)c1ccc(C(=[NH2+])NC[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001251044589 812620208 /nfs/dbraw/zinc/62/02/08/812620208.db2.gz ZZUQHUZZBBRZFE-CYBMUJFWSA-N 2 2 341.433 -0.512 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001263801873 813118520 /nfs/dbraw/zinc/11/85/20/813118520.db2.gz FRPOEMACONKWPJ-CABCVRRESA-N 2 2 331.420 -0.138 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)Cn1c[nH+]cc1C ZINC001263801873 813118521 /nfs/dbraw/zinc/11/85/21/813118521.db2.gz FRPOEMACONKWPJ-CABCVRRESA-N 2 2 331.420 -0.138 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)CCc2[nH+]ccn2C)C1 ZINC001263868648 813130859 /nfs/dbraw/zinc/13/08/59/813130859.db2.gz OZCCNFKSCJLODT-HDJSIYSDSA-N 2 2 331.420 -0.414 20 30 EBEDLP COCC#CC[N@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264078892 813148659 /nfs/dbraw/zinc/14/86/59/813148659.db2.gz SXMFHTLKJGQDNT-MRXNPFEDSA-N 2 2 334.420 -0.113 20 30 EBEDLP COCC#CC[N@@H+](CCO)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001264078892 813148662 /nfs/dbraw/zinc/14/86/62/813148662.db2.gz SXMFHTLKJGQDNT-MRXNPFEDSA-N 2 2 334.420 -0.113 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001264426283 813174580 /nfs/dbraw/zinc/17/45/80/813174580.db2.gz YBPXUBZXDSCWJB-MGPQQGTHSA-N 2 2 344.419 -0.430 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 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2 326.441 -0.818 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001100456972 820429847 /nfs/dbraw/zinc/42/98/47/820429847.db2.gz LFQCHTRPSNDKRI-SHARSMKWSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001298629893 821577825 /nfs/dbraw/zinc/57/78/25/821577825.db2.gz UTWRYSLXTLZWJF-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CNC(=O)Cn1c[nH+]cc1C ZINC001298629893 821577828 /nfs/dbraw/zinc/57/78/28/821577828.db2.gz UTWRYSLXTLZWJF-HIFRSBDPSA-N 2 2 331.420 -0.090 20 30 EBEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326748 821694139 /nfs/dbraw/zinc/69/41/39/821694139.db2.gz DXTGQTNVKCLHLQ-BBRMVZONSA-N 2 2 330.436 -0.028 20 30 EBEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)nn1 ZINC001105326748 821694143 /nfs/dbraw/zinc/69/41/43/821694143.db2.gz DXTGQTNVKCLHLQ-BBRMVZONSA-N 2 2 330.436 -0.028 20 30 EBEDLP CC#CC[NH2+]Cc1cn(C2CN(C(=O)CC[NH+]3CCOCC3)C2)nn1 ZINC001105342497 821704553 /nfs/dbraw/zinc/70/45/53/821704553.db2.gz IGIPMZDQRIVUOT-UHFFFAOYSA-N 2 2 346.435 -0.503 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942676 821926820 /nfs/dbraw/zinc/92/68/20/821926820.db2.gz BUGFRTVDBBJUFH-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](NC(=O)Cn2c[nH+]cc2C)C1 ZINC001316942676 821926827 /nfs/dbraw/zinc/92/68/27/821926827.db2.gz BUGFRTVDBBJUFH-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001317015977 821974361 /nfs/dbraw/zinc/97/43/61/821974361.db2.gz KJIYOKQYCWDSDF-GJZGRUSLSA-N 2 2 330.436 -0.103 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1nncn1C)C1CC1 ZINC001317015977 821974365 /nfs/dbraw/zinc/97/43/65/821974365.db2.gz KJIYOKQYCWDSDF-GJZGRUSLSA-N 2 2 330.436 -0.103 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH+]cn2C)C1 ZINC001317124318 822010560 /nfs/dbraw/zinc/01/05/60/822010560.db2.gz IFAJDDHAXLBZLI-TXEJJXNPSA-N 2 2 348.407 -0.789 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH2+]C[C@H]1CCCN(C(=O)Cc2c[nH+]cn2C)C1 ZINC001317160897 822023869 /nfs/dbraw/zinc/02/38/69/822023869.db2.gz CRDRXCVKAMTZNQ-LSDHHAIUSA-N 2 2 345.447 -0.071 20 30 EBEDLP C=CCN1CC[C@H]([N@H+](CC)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001317477537 822125705 /nfs/dbraw/zinc/12/57/05/822125705.db2.gz LUXGFMRNGHYPRO-GJZGRUSLSA-N 2 2 338.452 -0.458 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+](CC)CCNC(=O)[C@@H]2C[NH+](C)CCO2)C1=O ZINC001317477537 822125707 /nfs/dbraw/zinc/12/57/07/822125707.db2.gz LUXGFMRNGHYPRO-GJZGRUSLSA-N 2 2 338.452 -0.458 20 30 EBEDLP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@@H]2C[N@H+](C)CCO2)C1=O ZINC001317477537 822125710 /nfs/dbraw/zinc/12/57/10/822125710.db2.gz LUXGFMRNGHYPRO-GJZGRUSLSA-N 2 2 338.452 -0.458 20 30 EBEDLP C=CCN1CC[C@H]([NH+](CC)CCNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1=O ZINC001317477537 822125711 /nfs/dbraw/zinc/12/57/11/822125711.db2.gz LUXGFMRNGHYPRO-GJZGRUSLSA-N 2 2 338.452 -0.458 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)Cc2c[nH+]c[nH]2)CC1 ZINC001317687294 822202142 /nfs/dbraw/zinc/20/21/42/822202142.db2.gz RRYOJRVJMAKKOH-ZDUSSCGKSA-N 2 2 331.420 -0.082 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C13CC[NH+](CC1)C3)CC2 ZINC001128059862 828406515 /nfs/dbraw/zinc/40/65/15/828406515.db2.gz REFDVAWHPLHGJX-CQSZACIVSA-N 2 2 342.447 -0.082 20 30 EBEDLP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001317984534 822240636 /nfs/dbraw/zinc/24/06/36/822240636.db2.gz FOMJAIGOEBYSOL-HNNXBMFYSA-N 2 2 335.452 -0.061 20 30 EBEDLP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001317984534 822240644 /nfs/dbraw/zinc/24/06/44/822240644.db2.gz FOMJAIGOEBYSOL-HNNXBMFYSA-N 2 2 335.452 -0.061 20 30 EBEDLP C#CC[NH2+]Cc1nnc2n1CC[C@H](NC(=O)C[NH+]1CCCC1)CC2 ZINC001128067588 828408932 /nfs/dbraw/zinc/40/89/32/828408932.db2.gz ZRMHRIFNKNGAAA-CQSZACIVSA-N 2 2 330.436 -0.082 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H](CC)CNC(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC001318543116 822334689 /nfs/dbraw/zinc/33/46/89/822334689.db2.gz WLNNNAJKBRQVOG-UONOGXRCSA-N 2 2 331.420 -0.321 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@H+](C)CCO1)C1CC1 ZINC001318689177 822353036 /nfs/dbraw/zinc/35/30/36/822353036.db2.gz WINNIEKKRGJNPU-PBHICJAKSA-N 2 2 338.452 -0.506 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318689177 822353045 /nfs/dbraw/zinc/35/30/45/822353045.db2.gz WINNIEKKRGJNPU-PBHICJAKSA-N 2 2 338.452 -0.506 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH]c[nH+]1)C2 ZINC001108699179 824422502 /nfs/dbraw/zinc/42/25/02/824422502.db2.gz QINVCUNZMRKPPN-QEJZJMRPSA-N 2 2 344.419 -0.049 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)CCc1c[nH+]c[nH]1)C2 ZINC001108699179 824422506 /nfs/dbraw/zinc/42/25/06/824422506.db2.gz QINVCUNZMRKPPN-QEJZJMRPSA-N 2 2 344.419 -0.049 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001108786468 824437263 /nfs/dbraw/zinc/43/72/63/824437263.db2.gz ARMGSCTUOLKSBA-XQQFMLRXSA-N 2 2 330.392 -0.439 20 30 EBEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CC(=O)NCC#N)[NH+](C)C ZINC001109428021 824538958 /nfs/dbraw/zinc/53/89/58/824538958.db2.gz ITPYRQCVWHQPTG-HOSILWTGSA-N 2 2 335.452 -0.066 20 30 EBEDLP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2CC(=O)NCC#N)[NH+](C)C ZINC001109428021 824538960 /nfs/dbraw/zinc/53/89/60/824538960.db2.gz ITPYRQCVWHQPTG-HOSILWTGSA-N 2 2 335.452 -0.066 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001129770198 828666607 /nfs/dbraw/zinc/66/66/07/828666607.db2.gz CMDIBZAEVYPMCF-INIZCTEOSA-N 2 2 330.436 -0.009 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1cn(CC2CC2)nn1 ZINC001129770198 828666610 /nfs/dbraw/zinc/66/66/10/828666610.db2.gz CMDIBZAEVYPMCF-INIZCTEOSA-N 2 2 330.436 -0.009 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@H+]1CCC[C@H]1C)C2 ZINC001111021208 824837199 /nfs/dbraw/zinc/83/71/99/824837199.db2.gz PQWKYXQUHXLESY-FPCVCCKLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[NH+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[N@@H+]1CCC[C@H]1C)C2 ZINC001111021208 824837208 /nfs/dbraw/zinc/83/72/08/824837208.db2.gz PQWKYXQUHXLESY-FPCVCCKLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021208 824837212 /nfs/dbraw/zinc/83/72/12/824837212.db2.gz PQWKYXQUHXLESY-FPCVCCKLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C[NH+]1CCC[C@H]1C)C2 ZINC001111021208 824837223 /nfs/dbraw/zinc/83/72/23/824837223.db2.gz PQWKYXQUHXLESY-FPCVCCKLSA-N 2 2 332.448 -0.058 20 30 EBEDLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111658521 825247762 /nfs/dbraw/zinc/24/77/62/825247762.db2.gz DPISAXVXTVAVNN-VBQJREDUSA-N 2 2 333.436 -0.309 20 30 EBEDLP C[N@H+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111658521 825247767 /nfs/dbraw/zinc/24/77/67/825247767.db2.gz DPISAXVXTVAVNN-VBQJREDUSA-N 2 2 333.436 -0.309 20 30 EBEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC001111658521 825247771 /nfs/dbraw/zinc/24/77/71/825247771.db2.gz DPISAXVXTVAVNN-VBQJREDUSA-N 2 2 333.436 -0.309 20 30 EBEDLP C[NH+]1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCC#N)C2 ZINC001111658521 825247777 /nfs/dbraw/zinc/24/77/77/825247777.db2.gz DPISAXVXTVAVNN-VBQJREDUSA-N 2 2 333.436 -0.309 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)Cc1[nH]cc[nH+]1)C2 ZINC001112551631 825455662 /nfs/dbraw/zinc/45/56/62/825455662.db2.gz JCAPAIJHTACGRS-GUYCJALGSA-N 2 2 344.419 -0.190 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001114481638 826262472 /nfs/dbraw/zinc/26/24/72/826262472.db2.gz ZIOMVVQFLMNHEO-MKVSYHDVSA-N 2 2 343.431 -0.206 20 30 EBEDLP C=CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC001114481638 826262475 /nfs/dbraw/zinc/26/24/75/826262475.db2.gz ZIOMVVQFLMNHEO-MKVSYHDVSA-N 2 2 343.431 -0.206 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114522238 826275771 /nfs/dbraw/zinc/27/57/71/826275771.db2.gz YLMMBEVTXPUCSJ-FOLVSLTJSA-N 2 2 338.371 -0.366 20 30 EBEDLP N#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn2c[nH+]cc2c1 ZINC001114522238 826275775 /nfs/dbraw/zinc/27/57/75/826275775.db2.gz YLMMBEVTXPUCSJ-FOLVSLTJSA-N 2 2 338.371 -0.366 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121690 826427000 /nfs/dbraw/zinc/42/70/00/826427000.db2.gz WKYBAOJDVNSHMA-YYWXWVFPSA-N 2 2 329.404 -0.853 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH+]cn1C ZINC001115121690 826427003 /nfs/dbraw/zinc/42/70/03/826427003.db2.gz WKYBAOJDVNSHMA-YYWXWVFPSA-N 2 2 329.404 -0.853 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH+]c(C)[nH]c2C1 ZINC001130490714 828867566 /nfs/dbraw/zinc/86/75/66/828867566.db2.gz GGETXSUDHRPKOV-DGCLKSJQSA-N 2 2 331.420 -0.333 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H]1CCc2[nH]c(C)[nH+]c2C1 ZINC001130490714 828867576 /nfs/dbraw/zinc/86/75/76/828867576.db2.gz GGETXSUDHRPKOV-DGCLKSJQSA-N 2 2 331.420 -0.333 20 30 EBEDLP COCC#CC[NH2+]CCNC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC001131613691 829163008 /nfs/dbraw/zinc/16/30/08/829163008.db2.gz KPDRBZDFHKOPIE-CVEARBPZSA-N 2 2 339.436 -0.778 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784556 829523062 /nfs/dbraw/zinc/52/30/62/829523062.db2.gz ZGEOWWLYZMIIDS-HNNXBMFYSA-N 2 2 336.436 -0.915 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@@H]1COCC[N@H+]1C1CCCC1 ZINC001132784556 829523067 /nfs/dbraw/zinc/52/30/67/829523067.db2.gz ZGEOWWLYZMIIDS-HNNXBMFYSA-N 2 2 336.436 -0.915 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@@H+]1C1CCCC1 ZINC001132784557 829523251 /nfs/dbraw/zinc/52/32/51/829523251.db2.gz ZGEOWWLYZMIIDS-OAHLLOKOSA-N 2 2 336.436 -0.915 20 30 EBEDLP C#CCNC(=O)C[NH2+]CCNC(=O)[C@H]1COCC[N@H+]1C1CCCC1 ZINC001132784557 829523260 /nfs/dbraw/zinc/52/32/60/829523260.db2.gz ZGEOWWLYZMIIDS-OAHLLOKOSA-N 2 2 336.436 -0.915 20 30 EBEDLP C[C@@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C[NH2+]CC(=O)NCC#N ZINC001133242153 829610549 /nfs/dbraw/zinc/61/05/49/829610549.db2.gz NYCBACJNXOBWEG-KGLIPLIRSA-N 2 2 346.435 -0.323 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)C[C@@H](C)NC(=O)CCc1[nH+]ccn1C ZINC001135056672 829891161 /nfs/dbraw/zinc/89/11/61/829891161.db2.gz OJOWWWPBAMMCQO-UONOGXRCSA-N 2 2 333.436 -0.025 20 30 EBEDLP C[C@H](C[C@H](C)[NH2+]CC(=O)NCC#N)NC(=O)CCc1[nH+]ccn1C ZINC001135073606 829893572 /nfs/dbraw/zinc/89/35/72/829893572.db2.gz BBVWHDPILXCWGE-QWHCGFSZSA-N 2 2 334.424 -0.135 20 30 EBEDLP C=CCNC(=O)C[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2C[N@H+](CC)CCO2)C1 ZINC001211183908 837406254 /nfs/dbraw/zinc/40/62/54/837406254.db2.gz 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C#CC[NH+]1CCC(NC(=O)NCCC(=O)N2CC[NH+](C)CC2)CC1 ZINC000914064477 650250866 /nfs/dbraw/zinc/25/08/66/650250866.db2.gz PQZBFVCZAZQWOZ-UHFFFAOYSA-N 2 2 335.452 -0.453 20 30 EBEDLP CC#CC[NH+]1CC(N2CCN(C(=O)COC3CC[NH+](C)CC3)CC2)C1 ZINC000941622851 652839470 /nfs/dbraw/zinc/83/94/70/652839470.db2.gz ONXXPRZWUUZLIB-UHFFFAOYSA-N 2 2 348.491 -0.051 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000962151339 723180867 /nfs/dbraw/zinc/18/08/67/723180867.db2.gz XCENGKFIFRPEID-RSUWNVLCSA-N 2 2 329.404 -0.215 20 30 EBEDLP C=CCN1CC[C@H]([N@H+]2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)Cc2[nH]cc[nH+]2)C1=O ZINC000962151339 723180869 /nfs/dbraw/zinc/18/08/69/723180869.db2.gz XCENGKFIFRPEID-RSUWNVLCSA-N 2 2 329.404 -0.215 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000974222941 725908795 /nfs/dbraw/zinc/90/87/95/725908795.db2.gz FZKSTGIFZGVGMM-IYBDPMFKSA-N 2 2 343.431 -0.008 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nnn(C)n3)CC2)CC1 ZINC000997364294 726448161 /nfs/dbraw/zinc/44/81/61/726448161.db2.gz LANRIQPWBVDURG-UHFFFAOYSA-N 2 2 345.451 -0.364 20 30 EBEDLP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@H+](C)CCO3)nn2)C1 ZINC000999975870 726546296 /nfs/dbraw/zinc/54/62/96/726546296.db2.gz RMCKFDRDHFVZPQ-GJZGRUSLSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[N@@H+](C)CCO3)nn2)C1 ZINC000999975870 726546297 /nfs/dbraw/zinc/54/62/97/726546297.db2.gz RMCKFDRDHFVZPQ-GJZGRUSLSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CC[N@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975870 726546298 /nfs/dbraw/zinc/54/62/98/726546298.db2.gz RMCKFDRDHFVZPQ-GJZGRUSLSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3C[NH+](C)CCO3)nn2)C1 ZINC000999975870 726546299 /nfs/dbraw/zinc/54/62/99/726546299.db2.gz RMCKFDRDHFVZPQ-GJZGRUSLSA-N 2 2 332.408 -0.895 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001030019179 730535790 /nfs/dbraw/zinc/53/57/90/730535790.db2.gz DJXYZCLIPUEIND-ILXRZTDVSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+][C@H](C)c2nnnn2C)C1 ZINC001030019179 730535792 /nfs/dbraw/zinc/53/57/92/730535792.db2.gz DJXYZCLIPUEIND-ILXRZTDVSA-N 2 2 345.451 -0.051 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2CCCC2=O)C1 ZINC001031742360 730760559 /nfs/dbraw/zinc/76/05/59/730760559.db2.gz BYDKRMCIKTVVNV-INIZCTEOSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCN2CCCC2=O)C1 ZINC001031742360 730760560 /nfs/dbraw/zinc/76/05/60/730760560.db2.gz BYDKRMCIKTVVNV-INIZCTEOSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001034962764 731168879 /nfs/dbraw/zinc/16/88/79/731168879.db2.gz PPZDRFSUJZXKGU-KGLIPLIRSA-N 2 2 346.435 -0.713 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nc(=O)n(C)[nH]1 ZINC001034962764 731168884 /nfs/dbraw/zinc/16/88/84/731168884.db2.gz 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C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221772435 811531343 /nfs/dbraw/zinc/53/13/43/811531343.db2.gz ZOQRRAUWRZOLKX-ZIAGYGMSSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+](C)CC1(C(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001221772435 811531352 /nfs/dbraw/zinc/53/13/52/811531352.db2.gz ZOQRRAUWRZOLKX-ZIAGYGMSSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950647 811568024 /nfs/dbraw/zinc/56/80/24/811568024.db2.gz QXQPLKLDIDVHJQ-RRFJBIMHSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[N@H+]1CC[C@@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950647 811568029 /nfs/dbraw/zinc/56/80/29/811568029.db2.gz QXQPLKLDIDVHJQ-RRFJBIMHSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+]1CC[C@@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950647 811568031 /nfs/dbraw/zinc/56/80/31/811568031.db2.gz QXQPLKLDIDVHJQ-RRFJBIMHSA-N 2 2 333.436 -0.499 20 30 EBEDLP 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CC(C)[C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)[NH2+]CC(=O)NCC#N ZINC001319922100 838194158 /nfs/dbraw/zinc/19/41/58/838194158.db2.gz KUOAKYFLDHCEMF-DZGCQCFKSA-N 2 2 346.435 -0.184 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NC[C@@H](O)C[NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC001320316724 838756458 /nfs/dbraw/zinc/75/64/58/838756458.db2.gz NUNUYCIJWIHHQF-WFASDCNBSA-N 2 2 349.435 -0.149 20 30 EBEDLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCC(=O)NCC#N)CC2)CC1 ZINC001323265290 839396483 /nfs/dbraw/zinc/39/64/83/839396483.db2.gz LFURXGZXHXXFTQ-UHFFFAOYSA-N 2 2 336.440 -0.516 20 30 EBEDLP Cc1cn(C(C)(C)C(=O)NCC2([NH2+]CC(=O)NCC#N)CC2)c[nH+]1 ZINC001323471896 839450938 /nfs/dbraw/zinc/45/09/38/839450938.db2.gz HNQINBNQWJQSHC-UHFFFAOYSA-N 2 2 332.408 -0.195 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCCN1C(=O)CCCn1cc[nH+]c1 ZINC001324286374 839623297 /nfs/dbraw/zinc/62/32/97/839623297.db2.gz PZDJVRRCRHAGTQ-HNNXBMFYSA-N 2 2 331.420 -0.007 20 30 EBEDLP COCC#CC[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001325111224 839784860 /nfs/dbraw/zinc/78/48/60/839784860.db2.gz SJNYGVDKLARIPW-QAPCUYQASA-N 2 2 346.431 -0.352 20 30 EBEDLP COCC#CC[N@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001325111224 839784866 /nfs/dbraw/zinc/78/48/66/839784866.db2.gz SJNYGVDKLARIPW-QAPCUYQASA-N 2 2 346.431 -0.352 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001327111816 840302580 /nfs/dbraw/zinc/30/25/80/840302580.db2.gz SPLZNQQKNIMIPY-HUUCEWRRSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001327111816 840302581 /nfs/dbraw/zinc/30/25/81/840302581.db2.gz SPLZNQQKNIMIPY-HUUCEWRRSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001327111816 840302595 /nfs/dbraw/zinc/30/25/95/840302595.db2.gz SPLZNQQKNIMIPY-HUUCEWRRSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001327111816 840302608 /nfs/dbraw/zinc/30/26/08/840302608.db2.gz SPLZNQQKNIMIPY-HUUCEWRRSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001327111819 840304383 /nfs/dbraw/zinc/30/43/83/840304383.db2.gz SPLZNQQKNIMIPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC[C@H](NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001327111819 840304398 /nfs/dbraw/zinc/30/43/98/840304398.db2.gz SPLZNQQKNIMIPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001327111819 840304412 /nfs/dbraw/zinc/30/44/12/840304412.db2.gz SPLZNQQKNIMIPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+](C)CCO2)CC1 ZINC001327111819 840304427 /nfs/dbraw/zinc/30/44/27/840304427.db2.gz SPLZNQQKNIMIPY-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C[C@@H](CCNC(=O)[C@@H]1CCn2cc[nH+]c2C1)[NH2+]CC(=O)NCC#N ZINC001328362558 840660989 /nfs/dbraw/zinc/66/09/89/840660989.db2.gz JNMNYWFGWTYJPZ-QWHCGFSZSA-N 2 2 332.408 -0.430 20 30 EBEDLP C=CCOCCNC(=O)C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC001329386887 840907027 /nfs/dbraw/zinc/90/70/27/840907027.db2.gz UDGCJDZXQDFGAA-UHFFFAOYSA-N 2 2 340.468 -0.210 20 30 EBEDLP C=CCOCCNC(=O)C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001329386887 840907032 /nfs/dbraw/zinc/90/70/32/840907032.db2.gz UDGCJDZXQDFGAA-UHFFFAOYSA-N 2 2 340.468 -0.210 20 30 EBEDLP C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)CCO1 ZINC001330432555 841200359 /nfs/dbraw/zinc/20/03/59/841200359.db2.gz XJPLBIJAAYITMY-TZMCWYRMSA-N 2 2 335.408 -0.540 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001691023626 1125798081 /nfs/dbraw/zinc/79/80/81/1125798081.db2.gz LQRWBTIDQQZBIU-OLZOCXBDSA-N 2 2 337.424 -0.895 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)NCC[N@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC001691023626 1125798082 /nfs/dbraw/zinc/79/80/82/1125798082.db2.gz LQRWBTIDQQZBIU-OLZOCXBDSA-N 2 2 337.424 -0.895 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)C(=O)NC(N)=O ZINC001691023626 1125798083 /nfs/dbraw/zinc/79/80/83/1125798083.db2.gz LQRWBTIDQQZBIU-OLZOCXBDSA-N 2 2 337.424 -0.895 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)[C@H](C)C(=O)NC(N)=O ZINC001691023626 1125798084 /nfs/dbraw/zinc/79/80/84/1125798084.db2.gz LQRWBTIDQQZBIU-OLZOCXBDSA-N 2 2 337.424 -0.895 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCN(C)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC001691369374 1125854537 /nfs/dbraw/zinc/85/45/37/1125854537.db2.gz NOHQZSBTIHQCLB-ZIAGYGMSSA-N 2 2 331.420 -0.369 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001691488424 1125964860 /nfs/dbraw/zinc/96/48/60/1125964860.db2.gz QXHKETIAGJEMCL-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2c[nH+]cc2C)[C@H]1CC ZINC001691488424 1125964861 /nfs/dbraw/zinc/96/48/61/1125964861.db2.gz QXHKETIAGJEMCL-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@@H+](CC(=O)NCC#N)C1 ZINC001481728547 1126046626 /nfs/dbraw/zinc/04/66/26/1126046626.db2.gz MQIXMUYJCQZESA-UONOGXRCSA-N 2 2 341.431 -0.161 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1 ZINC001482119733 1126080244 /nfs/dbraw/zinc/08/02/44/1126080244.db2.gz ZYIQKBMCVBRSQK-ZIAGYGMSSA-N 2 2 331.420 -0.463 20 30 EBEDLP N#CCNC(=O)C[NH2+]CC[C@@H]1CCCCN1C(=O)Cn1cc[nH+]c1 ZINC001482462186 1126159103 /nfs/dbraw/zinc/15/91/03/1126159103.db2.gz RXNJYVLZBCYYJN-AWEZNQCLSA-N 2 2 332.408 -0.116 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH]c[nH+]1 ZINC001482679146 1126251728 /nfs/dbraw/zinc/25/17/28/1126251728.db2.gz OCOXZZZTWBMEOW-DZGCQCFKSA-N 2 2 331.420 -0.034 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCc1c[nH+]c[nH]1 ZINC001482679146 1126251731 /nfs/dbraw/zinc/25/17/31/1126251731.db2.gz OCOXZZZTWBMEOW-DZGCQCFKSA-N 2 2 331.420 -0.034 20 30 EBEDLP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001482718074 1126257720 /nfs/dbraw/zinc/25/77/20/1126257720.db2.gz JGHAOOKQVFLOQC-QWRGUYRKSA-N 2 2 336.230 -0.708 20 30 EBEDLP C=C(Br)C[NH2+]C[C@H](O)CNC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001482718074 1126257723 /nfs/dbraw/zinc/25/77/23/1126257723.db2.gz JGHAOOKQVFLOQC-QWRGUYRKSA-N 2 2 336.230 -0.708 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)Cc1c[nH+]cn1C ZINC001483442348 1126428258 /nfs/dbraw/zinc/42/82/58/1126428258.db2.gz FFPSNWMKSHIVLT-ZBFHGGJFSA-N 2 2 345.447 -0.023 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@H+](CC(=O)NCC#N)C2)CC1 ZINC001484071637 1126504685 /nfs/dbraw/zinc/50/46/85/1126504685.db2.gz QSAWYHXPCLPXHC-SFHVURJKSA-N 2 2 345.447 -0.448 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@@]2(C)CC[N@@H+](CC(=O)NCC#N)C2)CC1 ZINC001484071637 1126504686 /nfs/dbraw/zinc/50/46/86/1126504686.db2.gz QSAWYHXPCLPXHC-SFHVURJKSA-N 2 2 345.447 -0.448 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnoc1C ZINC001484485045 1126595398 /nfs/dbraw/zinc/59/53/98/1126595398.db2.gz UYTAXPUINZCUJU-INIZCTEOSA-N 2 2 334.420 -0.009 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(CCO)CC[NH2+]Cc1cnoc1C ZINC001484485045 1126595400 /nfs/dbraw/zinc/59/54/00/1126595400.db2.gz UYTAXPUINZCUJU-INIZCTEOSA-N 2 2 334.420 -0.009 20 30 EBEDLP COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)CCO1 ZINC001484693214 1126620103 /nfs/dbraw/zinc/62/01/03/1126620103.db2.gz SMESJTXMFFQWSI-ARFHVFGLSA-N 2 2 346.431 -0.010 20 30 EBEDLP Cn1cc[nH+]c1CCC(=O)N1CCC(C)([NH2+]CC(=O)NCC#N)CC1 ZINC001484920987 1126653239 /nfs/dbraw/zinc/65/32/39/1126653239.db2.gz SLBOXHQPUMDBDW-UHFFFAOYSA-N 2 2 346.435 -0.037 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC001484994783 1126662549 /nfs/dbraw/zinc/66/25/49/1126662549.db2.gz FCSNKTNFYJHWTG-UONOGXRCSA-N 2 2 331.420 -0.321 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCn3cc[nH+]c3C2)C1 ZINC001485687522 1126800445 /nfs/dbraw/zinc/80/04/45/1126800445.db2.gz GWKXNYFUMRGUQR-IHRRRGAJSA-N 2 2 344.419 -0.430 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H](C)CN(C)C(=O)Cc1[nH]cc[nH+]1 ZINC001485939194 1126924839 /nfs/dbraw/zinc/92/48/39/1126924839.db2.gz WVTMEHLGYPTCNF-NSHDSACASA-N 2 2 336.396 -0.600 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(C)n(C)n1 ZINC001486281720 1127078463 /nfs/dbraw/zinc/07/84/63/1127078463.db2.gz SQTWTNCATYHQMR-SJORKVTESA-N 2 2 347.463 -0.265 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](O)C[NH2+]Cc1cc(C)n(C)n1 ZINC001486281720 1127078466 /nfs/dbraw/zinc/07/84/66/1127078466.db2.gz SQTWTNCATYHQMR-SJORKVTESA-N 2 2 347.463 -0.265 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@H](O)CN(C)C(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001486286542 1127083944 /nfs/dbraw/zinc/08/39/44/1127083944.db2.gz VTJONDLWXDTMFG-KBPBESRZSA-N 2 2 349.435 -0.843 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C(C)(C)C ZINC001486400789 1127168715 /nfs/dbraw/zinc/16/87/15/1127168715.db2.gz FIVDNPZNYDMTTA-KBPBESRZSA-N 2 2 347.467 -0.072 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1nnnn1C)C(C)(C)C ZINC001486400789 1127168717 /nfs/dbraw/zinc/16/87/17/1127168717.db2.gz FIVDNPZNYDMTTA-KBPBESRZSA-N 2 2 347.467 -0.072 20 30 EBEDLP C#CCNC(=O)C[NH2+]C1CC(N(C)C(=O)c2cc(C[NH+](C)C)on2)C1 ZINC001486471282 1127183406 /nfs/dbraw/zinc/18/34/06/1127183406.db2.gz QLJYVRCUYUOCJX-UHFFFAOYSA-N 2 2 347.419 -0.322 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H](CNC(=O)[C@H]1CCc2c[nH+]cn2C1)C1CC1 ZINC001490682029 1129240239 /nfs/dbraw/zinc/24/02/39/1129240239.db2.gz HEAQCYQMOSAVGV-ZFWWWQNUSA-N 2 2 344.419 -0.430 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001490729014 1129246703 /nfs/dbraw/zinc/24/67/03/1129246703.db2.gz RIBCTSJKDUWMEE-DOMZBBRYSA-N 2 2 331.420 -0.415 20 30 EBEDLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC001491294190 1130390194 /nfs/dbraw/zinc/39/01/94/1130390194.db2.gz BUHMKRBWEUFMHN-KGLIPLIRSA-N 2 2 346.435 -0.181 20 30 EBEDLP C[C@@H](NC(=O)Cc1c[nH+]cn1C)[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC001491294190 1130390198 /nfs/dbraw/zinc/39/01/98/1130390198.db2.gz BUHMKRBWEUFMHN-KGLIPLIRSA-N 2 2 346.435 -0.181 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@H+](C)CC(=O)NCC#N ZINC001280820959 1130552275 /nfs/dbraw/zinc/55/22/75/1130552275.db2.gz DCOQVGSAHCVKNG-HNNXBMFYSA-N 2 2 333.436 -0.496 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N(C)CCC[N@@H+](C)CC(=O)NCC#N ZINC001280820959 1130552279 /nfs/dbraw/zinc/55/22/79/1130552279.db2.gz DCOQVGSAHCVKNG-HNNXBMFYSA-N 2 2 333.436 -0.496 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC(=O)NCC#N ZINC001280820959 1130552283 /nfs/dbraw/zinc/55/22/83/1130552283.db2.gz DCOQVGSAHCVKNG-HNNXBMFYSA-N 2 2 333.436 -0.496 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC(=O)NCC#N ZINC001280820959 1130552285 /nfs/dbraw/zinc/55/22/85/1130552285.db2.gz DCOQVGSAHCVKNG-HNNXBMFYSA-N 2 2 333.436 -0.496 20 30 EBEDLP Cn1c(=O)[nH]c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C#N)c1=O ZINC001363742798 1132073248 /nfs/dbraw/zinc/07/32/48/1132073248.db2.gz DMEKDZMAPTZZTN-VXGBXAGGSA-N 2 2 334.424 -0.879 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)CC1 ZINC000490778492 377321159 /nfs/dbraw/zinc/32/11/59/377321159.db2.gz GFYCAXWMJVEDAZ-UHFFFAOYSA-N 2 2 332.448 -0.149 20 30 EBEDLP [NH2+]=C(NCC[NH+]1CCSCC1)N1CCN(c2ncccn2)CC1 ZINC000262550568 379235670 /nfs/dbraw/zinc/23/56/70/379235670.db2.gz XXOKEYBMULRCBV-UHFFFAOYSA-N 2 2 335.481 -0.038 20 30 EBEDLP C[NH+]=C(NCc1noc(C)n1)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261995476 379225951 /nfs/dbraw/zinc/22/59/51/379225951.db2.gz SGZCFBRLENFTOJ-UHFFFAOYSA-N 2 2 337.428 -0.451 20 30 EBEDLP C[NH+]=C(NCCN1C(=O)CNC1=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000261988136 379227811 /nfs/dbraw/zinc/22/78/11/379227811.db2.gz QPAAHEMTIDGVGQ-CHWSQXEVSA-N 2 2 347.423 -0.107 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000491073378 379579878 /nfs/dbraw/zinc/57/98/78/379579878.db2.gz YNYYKRIPXVXZLZ-IRXDYDNUSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000491073378 379579884 /nfs/dbraw/zinc/57/98/84/379579884.db2.gz YNYYKRIPXVXZLZ-IRXDYDNUSA-N 2 2 334.464 -0.441 20 30 EBEDLP C#C[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000491254039 379592788 /nfs/dbraw/zinc/59/27/88/379592788.db2.gz QLUXIAKRUKOWLJ-CYBMUJFWSA-N 2 2 341.419 -0.035 20 30 EBEDLP C#C[C@@H](C)[N@@H+](C)CC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000491254039 379592794 /nfs/dbraw/zinc/59/27/94/379592794.db2.gz QLUXIAKRUKOWLJ-CYBMUJFWSA-N 2 2 341.419 -0.035 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)CC1 ZINC000491298185 379595382 /nfs/dbraw/zinc/59/53/82/379595382.db2.gz UPVALZOZFUVYEF-UHFFFAOYSA-N 3 2 349.523 -0.231 20 30 EBEDLP C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739907 379560319 /nfs/dbraw/zinc/56/03/19/379560319.db2.gz HQRRCFKCIKBTIM-GOSISDBHSA-N 2 2 347.507 -0.524 20 30 EBEDLP C#CCN1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739907 379560326 /nfs/dbraw/zinc/56/03/26/379560326.db2.gz HQRRCFKCIKBTIM-GOSISDBHSA-N 2 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739907 379560334 /nfs/dbraw/zinc/56/03/34/379560334.db2.gz HQRRCFKCIKBTIM-GOSISDBHSA-N 3 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)CC1 ZINC000490739907 379560341 /nfs/dbraw/zinc/56/03/41/379560341.db2.gz HQRRCFKCIKBTIM-GOSISDBHSA-N 3 2 347.507 -0.524 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(C3N=NC(=O)O3)CC2)CC1 ZINC000491694606 379616159 /nfs/dbraw/zinc/61/61/59/379616159.db2.gz AXFPORBPRPRFJJ-UHFFFAOYSA-N 2 2 333.392 -0.268 20 30 EBEDLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC000328898875 380815523 /nfs/dbraw/zinc/81/55/23/380815523.db2.gz YJNYLVYGQYSDOG-CQSZACIVSA-N 2 2 338.456 -0.160 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180951501 380930726 /nfs/dbraw/zinc/93/07/26/380930726.db2.gz HSXRXLLJFXEYID-UHFFFAOYSA-N 2 2 325.457 -0.044 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180951501 380930731 /nfs/dbraw/zinc/93/07/31/380930731.db2.gz HSXRXLLJFXEYID-UHFFFAOYSA-N 2 2 325.457 -0.044 20 30 EBEDLP C=CCNC(=O)NC(=O)CN(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000180951501 380930737 /nfs/dbraw/zinc/93/07/37/380930737.db2.gz HSXRXLLJFXEYID-UHFFFAOYSA-N 2 2 325.457 -0.044 20 30 EBEDLP C=CCNC(=O)NC(=O)CN(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000180951501 380930741 /nfs/dbraw/zinc/93/07/41/380930741.db2.gz HSXRXLLJFXEYID-UHFFFAOYSA-N 2 2 325.457 -0.044 20 30 EBEDLP C[N@@H+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329876240 381698454 /nfs/dbraw/zinc/69/84/54/381698454.db2.gz HRNBCUKFCFAADB-KGLIPLIRSA-N 2 2 340.424 -0.793 20 30 EBEDLP C[N@H+]1CCO[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000329876240 381698464 /nfs/dbraw/zinc/69/84/64/381698464.db2.gz HRNBCUKFCFAADB-KGLIPLIRSA-N 2 2 340.424 -0.793 20 30 EBEDLP C[NH+]1CCN(C(=O)CCNC(=O)N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)CC1 ZINC000329927401 381701409 /nfs/dbraw/zinc/70/14/09/381701409.db2.gz LNSDRCXBXDQJFE-KBPBESRZSA-N 2 2 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C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCN2CCOCC2)C1 ZINC000734466930 582872878 /nfs/dbraw/zinc/87/28/78/582872878.db2.gz GUCVZIIWBSKUEL-SJORKVTESA-N 2 2 334.464 -0.393 20 30 EBEDLP C[C@@H](CNC(=[NH2+])NCCC[NH+]1CCOCC1)C[NH+]1CCN(C)CC1 ZINC000303884849 649993296 /nfs/dbraw/zinc/99/32/96/649993296.db2.gz MWLGYHXXCYYECD-INIZCTEOSA-N 3 2 340.516 -0.504 20 30 EBEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413894 652723235 /nfs/dbraw/zinc/72/32/35/652723235.db2.gz IWBPYHBHIVQWNI-WMZOPIPTSA-N 2 2 346.475 -0.299 20 30 EBEDLP CC#CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000941413894 652723237 /nfs/dbraw/zinc/72/32/37/652723237.db2.gz IWBPYHBHIVQWNI-WMZOPIPTSA-N 2 2 346.475 -0.299 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941440830 652738944 /nfs/dbraw/zinc/73/89/44/652738944.db2.gz UFDPLEBNOREQMZ-KRWDZBQOSA-N 2 2 334.464 -0.705 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCO)C2)CC1 ZINC000941440830 652738948 /nfs/dbraw/zinc/73/89/48/652738948.db2.gz UFDPLEBNOREQMZ-KRWDZBQOSA-N 2 2 334.464 -0.705 20 30 EBEDLP C=CC[NH+]1CC(N2CCN(C(=O)[C@H](C)C[NH+]3CCOCC3)CC2)C1 ZINC000941668503 652870140 /nfs/dbraw/zinc/87/01/40/652870140.db2.gz LMOBVQQVKFNVBF-MRXNPFEDSA-N 2 2 336.480 -0.031 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000953959732 719554069 /nfs/dbraw/zinc/55/40/69/719554069.db2.gz OJAOMCDXCVLUFV-JKSUJKDBSA-N 2 2 348.447 -0.916 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC000953959732 719554070 /nfs/dbraw/zinc/55/40/70/719554070.db2.gz OJAOMCDXCVLUFV-JKSUJKDBSA-N 2 2 348.447 -0.916 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@H+](C)CCO2)C1 ZINC000953959732 719554073 /nfs/dbraw/zinc/55/40/73/719554073.db2.gz OJAOMCDXCVLUFV-JKSUJKDBSA-N 2 2 348.447 -0.916 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC(N(C)C(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC000953959732 719554075 /nfs/dbraw/zinc/55/40/75/719554075.db2.gz 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20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000960347686 722822110 /nfs/dbraw/zinc/82/21/10/722822110.db2.gz QFHCRGYQUKUICM-UIBIWLFHSA-N 2 2 344.459 -0.247 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@H+](CC(=O)N3CCCC3)C[C@H]21 ZINC000960347686 722822112 /nfs/dbraw/zinc/82/21/12/722822112.db2.gz QFHCRGYQUKUICM-UIBIWLFHSA-N 2 2 344.459 -0.247 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC000960347686 722822113 /nfs/dbraw/zinc/82/21/13/722822113.db2.gz QFHCRGYQUKUICM-UIBIWLFHSA-N 2 2 344.459 -0.247 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH+](CC(=O)N3CCCC3)C[C@H]21 ZINC000960347686 722822115 /nfs/dbraw/zinc/82/21/15/722822115.db2.gz QFHCRGYQUKUICM-UIBIWLFHSA-N 2 2 344.459 -0.247 20 30 EBEDLP C#CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H](C)O3)nn2)C1 ZINC000999991124 726548089 /nfs/dbraw/zinc/54/80/89/726548089.db2.gz JUKKVVHCTMYXJG-VNQPRFMTSA-N 2 2 346.435 -0.507 20 30 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C#CC[N@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCO)C2)nn1 ZINC000999994240 726548258 /nfs/dbraw/zinc/54/82/58/726548258.db2.gz ABXVLGJSGPDAKD-HOTGVXAUSA-N 2 2 346.435 -0.769 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCO)C2)nn1 ZINC000999994240 726548259 /nfs/dbraw/zinc/54/82/59/726548259.db2.gz ABXVLGJSGPDAKD-HOTGVXAUSA-N 2 2 346.435 -0.769 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005519487 726735338 /nfs/dbraw/zinc/73/53/38/726735338.db2.gz VWEOOCOJBMEQAK-CVEARBPZSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC001005519487 726735339 /nfs/dbraw/zinc/73/53/39/726735339.db2.gz VWEOOCOJBMEQAK-CVEARBPZSA-N 2 2 332.448 -0.105 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N[C@@H]1[C@H]2C[N@@H+]([C@@H](C)C(=O)N(C)C)C[C@H]21 ZINC001025814023 730095120 /nfs/dbraw/zinc/09/51/20/730095120.db2.gz CMMGZJVVLWOIBM-ARKGTOAJSA-N 2 2 332.448 -0.393 20 30 EBEDLP 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2 338.452 -0.506 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@](C)(NC(=O)[C@@H]1C[N@@H+](C)CCO1)C1CC1 ZINC001318689180 822352949 /nfs/dbraw/zinc/35/29/49/822352949.db2.gz WINNIEKKRGJNPU-YOEHRIQHSA-N 2 2 338.452 -0.506 20 30 EBEDLP C#CCC[NH+]1CC(N2C[C@@H](NC(=O)CC[NH+]3CCOCC3)CC2=O)C1 ZINC001108581198 824391710 /nfs/dbraw/zinc/39/17/10/824391710.db2.gz KXANCQWGZWZUDV-HNNXBMFYSA-N 2 2 348.447 -0.867 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)Cc1c[nH+]c[nH]1)C2 ZINC001108769683 824433965 /nfs/dbraw/zinc/43/39/65/824433965.db2.gz ZSSIZVLNNUXLTP-SCRDCRAPSA-N 2 2 330.392 -0.439 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293990 824521427 /nfs/dbraw/zinc/52/14/27/824521427.db2.gz JYMFWTNMBLUNLC-NCOADZHNSA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)[C@@H]1C[NH+]3CCC1CC3)C2 ZINC001109293990 824521430 /nfs/dbraw/zinc/52/14/30/824521430.db2.gz JYMFWTNMBLUNLC-NCOADZHNSA-N 2 2 344.459 -0.201 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525619 824556448 /nfs/dbraw/zinc/55/64/48/824556448.db2.gz FZINZCDLGPMVKK-ILXRZTDVSA-N 2 2 329.404 -0.338 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@@H](NC(=O)Cn1c[nH+]cc1C)C2 ZINC001109525619 824556454 /nfs/dbraw/zinc/55/64/54/824556454.db2.gz FZINZCDLGPMVKK-ILXRZTDVSA-N 2 2 329.404 -0.338 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001129775942 828668430 /nfs/dbraw/zinc/66/84/30/828668430.db2.gz WUZGTRXHSITILW-LBPRGKRZSA-N 2 2 335.433 -0.115 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]CC(=O)Nc1nccs1 ZINC001129775942 828668432 /nfs/dbraw/zinc/66/84/32/828668432.db2.gz WUZGTRXHSITILW-LBPRGKRZSA-N 2 2 335.433 -0.115 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001129775498 828668545 /nfs/dbraw/zinc/66/85/45/828668545.db2.gz PTJYUOOIBGPHLP-AWEZNQCLSA-N 2 2 330.436 -0.004 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCC[NH2+]Cc1nnc(C2CC2)n1C ZINC001129775498 828668548 /nfs/dbraw/zinc/66/85/48/828668548.db2.gz PTJYUOOIBGPHLP-AWEZNQCLSA-N 2 2 330.436 -0.004 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111280917 825043387 /nfs/dbraw/zinc/04/33/87/825043387.db2.gz BQPBWAAHLHOBLQ-KFWWJZLASA-N 2 2 330.432 -0.447 20 30 EBEDLP C#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111280917 825043390 /nfs/dbraw/zinc/04/33/90/825043390.db2.gz BQPBWAAHLHOBLQ-KFWWJZLASA-N 2 2 330.432 -0.447 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111280887 825044365 /nfs/dbraw/zinc/04/43/65/825044365.db2.gz ACXCPQZAGJXZMY-MCIONIFRSA-N 2 2 331.420 -0.557 20 30 EBEDLP N#CCNC(=O)C[N@H+]1[C@@H]2CC[C@H]1[C@H](NC(=O)C13CC[NH+](CC1)C3)C2 ZINC001111280887 825044369 /nfs/dbraw/zinc/04/43/69/825044369.db2.gz ACXCPQZAGJXZMY-MCIONIFRSA-N 2 2 331.420 -0.557 20 30 EBEDLP C[N@@H+]1CCC[C@H]1C(=O)N[C@]12CCC[C@H]1C[NH+](CC(=O)NCC#N)C2 ZINC001111658522 825247270 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JRFUAJOXBWKULR-MJBXVCDLSA-N 2 2 348.451 -0.144 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111824953 825323859 /nfs/dbraw/zinc/32/38/59/825323859.db2.gz FJVIIDDQAUEBJF-YJBOKZPZSA-N 2 2 343.431 -0.007 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(NC(=O)CCn2cc[nH+]c2)C1 ZINC001111824953 825323864 /nfs/dbraw/zinc/32/38/64/825323864.db2.gz FJVIIDDQAUEBJF-YJBOKZPZSA-N 2 2 343.431 -0.007 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114403548 826235530 /nfs/dbraw/zinc/23/55/30/826235530.db2.gz UJFPYNQPJHAKGZ-OEUWWYETSA-N 2 2 341.415 -0.444 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC001114403548 826235536 /nfs/dbraw/zinc/23/55/36/826235536.db2.gz UJFPYNQPJHAKGZ-OEUWWYETSA-N 2 2 341.415 -0.444 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)[C@H]1C ZINC001180280033 833068797 /nfs/dbraw/zinc/06/87/97/833068797.db2.gz PUFUUYCLKMWJQT-STQMWFEESA-N 2 2 348.407 -0.526 20 30 EBEDLP C[NH+](C)CC#CCNC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC001119765390 827142179 /nfs/dbraw/zinc/14/21/79/827142179.db2.gz IOJDUELUXXHAFP-UHFFFAOYSA-N 2 2 334.424 -0.098 20 30 EBEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC001121553308 827395430 /nfs/dbraw/zinc/39/54/30/827395430.db2.gz RLQVJVFUDVZPKG-QWHCGFSZSA-N 2 2 348.407 -0.530 20 30 EBEDLP C=CCn1c(C2=[NH+]O[C@@H](CO)C2)nnc1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC001121553308 827395433 /nfs/dbraw/zinc/39/54/33/827395433.db2.gz RLQVJVFUDVZPKG-QWHCGFSZSA-N 2 2 348.407 -0.530 20 30 EBEDLP N#CCNC(=O)C[NH2+]C1CC2(CC(NC(=O)Cn3cc[nH+]c3)C2)C1 ZINC001122285510 827566084 /nfs/dbraw/zinc/56/60/84/827566084.db2.gz YUVYEOPULLKZKP-UHFFFAOYSA-N 2 2 330.392 -0.460 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]c[nH+]2)C1 ZINC001183115185 833280869 /nfs/dbraw/zinc/28/08/69/833280869.db2.gz FGEFYGSBJDUPSW-CYBMUJFWSA-N 2 2 348.407 -0.455 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCc2c[nH+]c[nH]2)C1 ZINC001183115185 833280870 /nfs/dbraw/zinc/28/08/70/833280870.db2.gz FGEFYGSBJDUPSW-CYBMUJFWSA-N 2 2 348.407 -0.455 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC001183764749 833305559 /nfs/dbraw/zinc/30/55/59/833305559.db2.gz GHEJFXDIMZLSBA-ZIAGYGMSSA-N 2 2 329.404 -0.615 20 30 EBEDLP C#CC[NH+]1CC2(C1)CN(C(=O)CC[NH+](C)C)C[C@@H]2c1nnc(C)[nH]1 ZINC001130464752 828855303 /nfs/dbraw/zinc/85/53/03/828855303.db2.gz HLXOZKDJDGOFHO-CQSZACIVSA-N 2 2 330.436 -0.074 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+]CCNC(=O)[C@H]1CCc2[nH+]ccn2C1 ZINC001130478056 828860405 /nfs/dbraw/zinc/86/04/05/828860405.db2.gz RJYBNLWVKDNCPA-LBPRGKRZSA-N 2 2 348.407 -0.837 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001184710128 833337708 /nfs/dbraw/zinc/33/77/08/833337708.db2.gz RSONEHJNPNOYCJ-CYBMUJFWSA-N 2 2 348.407 -0.525 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945869 829000211 /nfs/dbraw/zinc/00/02/11/829000211.db2.gz FCLNTKIVXMRTCA-BFYDXBDKSA-N 2 2 345.447 -0.342 20 30 EBEDLP CC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2C[N@@H+](C)CCO2)C[C@H]1c1cncn1C ZINC001130945869 829000223 /nfs/dbraw/zinc/00/02/23/829000223.db2.gz FCLNTKIVXMRTCA-BFYDXBDKSA-N 2 2 345.447 -0.342 20 30 EBEDLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185379776 833357280 /nfs/dbraw/zinc/35/72/80/833357280.db2.gz GFWQVYLQBYSWHZ-OLZOCXBDSA-N 2 2 332.408 -0.334 20 30 EBEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH]c[nH+]2)NC(C)=O)C1 ZINC001185378115 833357319 /nfs/dbraw/zinc/35/73/19/833357319.db2.gz OEZQXQREJZORFQ-ZBFHGGJFSA-N 2 2 349.435 -0.150 20 30 EBEDLP C=CCOCC[NH2+][C@@H]1CCN(C(=O)[C@H](Cc2c[nH+]c[nH]2)NC(C)=O)C1 ZINC001185378115 833357321 /nfs/dbraw/zinc/35/73/21/833357321.db2.gz OEZQXQREJZORFQ-ZBFHGGJFSA-N 2 2 349.435 -0.150 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@@H]1C ZINC001185501019 833360314 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C#CC[NH+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[N@@H+](C)CCO2)C1 ZINC001070403124 740808889 /nfs/dbraw/zinc/80/88/89/740808889.db2.gz LDPQZPHLAQFYDQ-HIFRSBDPSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403124 740808894 /nfs/dbraw/zinc/80/88/94/740808894.db2.gz LDPQZPHLAQFYDQ-HIFRSBDPSA-N 2 2 331.420 -0.221 20 30 EBEDLP C#CC[N@@H+]1CC[C@@H](c2n[nH]cc2CNC(=O)[C@@H]2C[NH+](C)CCO2)C1 ZINC001070403124 740808898 /nfs/dbraw/zinc/80/88/98/740808898.db2.gz LDPQZPHLAQFYDQ-HIFRSBDPSA-N 2 2 331.420 -0.221 20 30 EBEDLP C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C ZINC001215681088 810339249 /nfs/dbraw/zinc/33/92/49/810339249.db2.gz RUBNHOMQGICRDK-DGCLKSJQSA-N 2 2 348.407 -0.600 20 30 EBEDLP Cn1c[nH+]cc1C[C@H]([NH3+])C(=O)Nc1c(C#N)cnc2c(C#N)cnn21 ZINC001218637890 810514201 /nfs/dbraw/zinc/51/42/01/810514201.db2.gz SBZSEODJNZWJFK-LBPRGKRZSA-N 2 2 335.331 -0.285 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008664 810946086 /nfs/dbraw/zinc/94/60/86/810946086.db2.gz AQEOKKCPAQVPON-CVEARBPZSA-N 2 2 328.372 -0.241 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H](O)C1 ZINC001220008664 810946090 /nfs/dbraw/zinc/94/60/90/810946090.db2.gz AQEOKKCPAQVPON-CVEARBPZSA-N 2 2 328.372 -0.241 20 30 EBEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220768308 811233993 /nfs/dbraw/zinc/23/39/93/811233993.db2.gz GBABNPMPRXFWBU-MSOLQXFVSA-N 2 2 345.443 -0.222 20 30 EBEDLP C[NH+](C)CCOCC(=O)N[C@@H]1C[N@@H+](CC#Cc2ccccc2)C[C@@H]1O ZINC001220768308 811234002 /nfs/dbraw/zinc/23/40/02/811234002.db2.gz GBABNPMPRXFWBU-MSOLQXFVSA-N 2 2 345.443 -0.222 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798885 811246251 /nfs/dbraw/zinc/24/62/51/811246251.db2.gz KNELQCIXXVDHDL-KFWWJZLASA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798885 811246260 /nfs/dbraw/zinc/24/62/60/811246260.db2.gz KNELQCIXXVDHDL-KFWWJZLASA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798886 811246542 /nfs/dbraw/zinc/24/65/42/811246542.db2.gz KNELQCIXXVDHDL-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H](O)C1 ZINC001220798886 811246547 /nfs/dbraw/zinc/24/65/47/811246547.db2.gz KNELQCIXXVDHDL-ZNMIVQPWSA-N 2 2 338.452 -0.983 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985879 811326917 /nfs/dbraw/zinc/32/69/17/811326917.db2.gz INVCDRZPQFIVLR-OAGGEKHMSA-N 2 2 341.452 -0.681 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)[C@@H](O)C1 ZINC001220985879 811326928 /nfs/dbraw/zinc/32/69/28/811326928.db2.gz INVCDRZPQFIVLR-OAGGEKHMSA-N 2 2 341.452 -0.681 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162933 811399783 /nfs/dbraw/zinc/39/97/83/811399783.db2.gz NLDLWYAWUSYVHI-MSOLQXFVSA-N 2 2 345.443 -0.071 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162933 811399792 /nfs/dbraw/zinc/39/97/92/811399792.db2.gz NLDLWYAWUSYVHI-MSOLQXFVSA-N 2 2 345.443 -0.071 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162933 811399801 /nfs/dbraw/zinc/39/98/01/811399801.db2.gz NLDLWYAWUSYVHI-MSOLQXFVSA-N 2 2 345.443 -0.071 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](NC(=O)C[N@@H+](C)Cc2ccccc2)[C@@H](O)C1 ZINC001221162933 811399809 /nfs/dbraw/zinc/39/98/09/811399809.db2.gz NLDLWYAWUSYVHI-MSOLQXFVSA-N 2 2 345.443 -0.071 20 30 EBEDLP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950646 811568311 /nfs/dbraw/zinc/56/83/11/811568311.db2.gz QXQPLKLDIDVHJQ-RBSFLKMASA-N 2 2 333.436 -0.499 20 30 EBEDLP C[N@H+]1CC[C@H](CC(=O)N2C[C@H]3CC[NH+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950646 811568316 /nfs/dbraw/zinc/56/83/16/811568316.db2.gz QXQPLKLDIDVHJQ-RBSFLKMASA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950646 811568325 /nfs/dbraw/zinc/56/83/25/811568325.db2.gz QXQPLKLDIDVHJQ-RBSFLKMASA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+]1CC[C@H](CC(=O)N2C[C@H]3CC[N@@H+](CC(=O)NCC#N)C[C@H]32)C1 ZINC001221950646 811568331 /nfs/dbraw/zinc/56/83/31/811568331.db2.gz QXQPLKLDIDVHJQ-RBSFLKMASA-N 2 2 333.436 -0.499 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224141001 811747592 /nfs/dbraw/zinc/74/75/92/811747592.db2.gz UCUZOHXWJNUXRW-CABCVRRESA-N 2 2 344.419 -0.246 20 30 EBEDLP Cc1[nH+]ccn1CC(=O)N1CC[C@H]2CC[N@@H+](CC(=O)NCC#N)[C@H]2C1 ZINC001224141001 811747601 /nfs/dbraw/zinc/74/76/01/811747601.db2.gz UCUZOHXWJNUXRW-CABCVRRESA-N 2 2 344.419 -0.246 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(CNC(=O)Cc2c[nH+]cn2C)CC1 ZINC001225174159 811796970 /nfs/dbraw/zinc/79/69/70/811796970.db2.gz IDPGNUWOOGDDLS-CQSZACIVSA-N 2 2 345.447 -0.071 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722287 811881229 /nfs/dbraw/zinc/88/12/29/811881229.db2.gz FXKLLKWZVXCQKG-UKRRQHHQSA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722287 811881236 /nfs/dbraw/zinc/88/12/36/811881236.db2.gz FXKLLKWZVXCQKG-UKRRQHHQSA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)CCO2)CC1 ZINC001226722280 811881889 /nfs/dbraw/zinc/88/18/89/811881889.db2.gz FXKLLKWZVXCQKG-DZGCQCFKSA-N 2 2 336.436 -0.965 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722280 811881895 /nfs/dbraw/zinc/88/18/95/811881895.db2.gz FXKLLKWZVXCQKG-DZGCQCFKSA-N 2 2 336.436 -0.965 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)CCO2)CC1 ZINC001226722832 811882426 /nfs/dbraw/zinc/88/24/26/811882426.db2.gz MKEFNHLQLQQUKE-ZFWWWQNUSA-N 2 2 338.452 -0.412 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)CCO2)CC1 ZINC001226722832 811882432 /nfs/dbraw/zinc/88/24/32/811882432.db2.gz MKEFNHLQLQQUKE-ZFWWWQNUSA-N 2 2 338.452 -0.412 20 30 EBEDLP N#CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001227408717 811921436 /nfs/dbraw/zinc/92/14/36/811921436.db2.gz TVMWPAMOFWOJDY-HNNXBMFYSA-N 2 2 333.436 -0.451 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H](C)O2)CC1 ZINC001227954242 811952885 /nfs/dbraw/zinc/95/28/85/811952885.db2.gz QKAMPLASZYARHP-UKRRQHHQSA-N 2 2 338.452 -0.412 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H](C)O2)CC1 ZINC001227954242 811952888 /nfs/dbraw/zinc/95/28/88/811952888.db2.gz QKAMPLASZYARHP-UKRRQHHQSA-N 2 2 338.452 -0.412 20 30 EBEDLP C#CCNC(=O)[C@H](C)[NH+]1CCC(NC(=O)CCn2cc[nH+]c2)CC1 ZINC001228516804 811986224 /nfs/dbraw/zinc/98/62/24/811986224.db2.gz SMAMUPBJJGYSMO-AWEZNQCLSA-N 2 2 331.420 -0.008 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)Cc1c[nH+]cn1C ZINC001229683196 812049679 /nfs/dbraw/zinc/04/96/79/812049679.db2.gz RBZAUJDPKWMIJU-HUUCEWRRSA-N 2 2 331.420 -0.271 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCc3[nH+]ccn3C2)C1 ZINC001263865535 813131252 /nfs/dbraw/zinc/13/12/52/813131252.db2.gz MKCQZUPYQMKWSF-KKUMJFAQSA-N 2 2 343.431 -0.321 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001264070132 813145422 /nfs/dbraw/zinc/14/54/22/813145422.db2.gz JXOFKHFSBKBELC-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@H](NC(=O)Cn2cc[nH+]c2C)[C@H]1CC ZINC001264070132 813145428 /nfs/dbraw/zinc/14/54/28/813145428.db2.gz JXOFKHFSBKBELC-LSDHHAIUSA-N 2 2 331.420 -0.090 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001264404930 813172106 /nfs/dbraw/zinc/17/21/06/813172106.db2.gz RAYTYSASDPGPJL-LXTVHRRPSA-N 2 2 343.431 -0.243 20 30 EBEDLP N#CCNC(=O)C[NH2+][C@H]1CCN(C(=O)Cc2cn3c([nH+]2)CCCC3)C1 ZINC001265431182 813322604 /nfs/dbraw/zinc/32/26/04/813322604.db2.gz YEMMYTWXSKZOJZ-ZDUSSCGKSA-N 2 2 344.419 -0.408 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCc3c[nH+]cn3C2)C1 ZINC001265546734 813337349 /nfs/dbraw/zinc/33/73/49/813337349.db2.gz VUFPMWWWXINQQH-MCIONIFRSA-N 2 2 329.404 -0.568 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2c[nH+]cn2C)C1 ZINC001265558041 813340487 /nfs/dbraw/zinc/34/04/87/813340487.db2.gz KXZLXIHCMNJOIL-UXXRCYHCSA-N 2 2 343.431 -0.102 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266282428 813510827 /nfs/dbraw/zinc/51/08/27/813510827.db2.gz BBOAHCMPCZMSMM-UHFFFAOYSA-N 2 2 339.440 -0.470 20 30 EBEDLP C=CCNC(=O)NC(=O)C[N@@H+](C)CCNC(=O)C1([NH+](C)C)CCC1 ZINC001266282428 813510830 /nfs/dbraw/zinc/51/08/30/813510830.db2.gz BBOAHCMPCZMSMM-UHFFFAOYSA-N 2 2 339.440 -0.470 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266350863 813545597 /nfs/dbraw/zinc/54/55/97/813545597.db2.gz YNCVGBROQKBEGM-CQSZACIVSA-N 2 2 336.436 -0.963 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH+](C)CC2)C1 ZINC001266350863 813545600 /nfs/dbraw/zinc/54/56/00/813545600.db2.gz YNCVGBROQKBEGM-CQSZACIVSA-N 2 2 336.436 -0.963 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266520614 813593741 /nfs/dbraw/zinc/59/37/41/813593741.db2.gz PXTROHAOHYNYTL-KGLIPLIRSA-N 2 2 344.419 -0.477 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CC[C@H](CNC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001266520614 813593748 /nfs/dbraw/zinc/59/37/48/813593748.db2.gz PXTROHAOHYNYTL-KGLIPLIRSA-N 2 2 344.419 -0.477 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)CCc2[nH+]ccn2C)C1 ZINC001266540970 813602838 /nfs/dbraw/zinc/60/28/38/813602838.db2.gz RQHSUTCCRAJATQ-KGLIPLIRSA-N 2 2 331.420 -0.319 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)NC1CCC([NH2+]CC(=O)NCC#N)CC1 ZINC001266915975 813700176 /nfs/dbraw/zinc/70/01/76/813700176.db2.gz HNDJCAASRGHUQP-UHFFFAOYSA-N 2 2 332.408 -0.083 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(C(=O)Cn2cc[nH+]c2)C1 ZINC001267027178 813740358 /nfs/dbraw/zinc/74/03/58/813740358.db2.gz WJZVPODLUUVEOW-OLZOCXBDSA-N 2 2 348.407 -0.526 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC001267179320 813778229 /nfs/dbraw/zinc/77/82/29/813778229.db2.gz OGACSCHWNRVMDD-AWEZNQCLSA-N 2 2 346.435 -0.037 20 30 EBEDLP Cn1c[nH+]cc1CC(=O)NCCC[C@H]1CCC[N@H+]1CC(=O)NCC#N ZINC001267179320 813778233 /nfs/dbraw/zinc/77/82/33/813778233.db2.gz OGACSCHWNRVMDD-AWEZNQCLSA-N 2 2 346.435 -0.037 20 30 EBEDLP C=CCN1CC[C@H]([N@H+](C)CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001267221351 813792863 /nfs/dbraw/zinc/79/28/63/813792863.db2.gz FEWRMBVXDUUGHO-HNNXBMFYSA-N 2 2 338.452 -0.456 20 30 EBEDLP C=CCN1CC[C@H]([N@@H+](C)CCNC(=O)CC[NH+]2CCOCC2)C1=O ZINC001267221351 813792869 /nfs/dbraw/zinc/79/28/69/813792869.db2.gz FEWRMBVXDUUGHO-HNNXBMFYSA-N 2 2 338.452 -0.456 20 30 EBEDLP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1 ZINC001268043010 814109172 /nfs/dbraw/zinc/10/91/72/814109172.db2.gz CGQXIIQEBGQPAC-CQSZACIVSA-N 2 2 333.436 -0.355 20 30 EBEDLP C[N@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CC(=O)NCC#N)C2)CC1 ZINC001268043010 814109179 /nfs/dbraw/zinc/10/91/79/814109179.db2.gz CGQXIIQEBGQPAC-CQSZACIVSA-N 2 2 333.436 -0.355 20 30 EBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148893 814163038 /nfs/dbraw/zinc/16/30/38/814163038.db2.gz MEGVXMVPWVHHIW-SYGRHNPNSA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[NH+]1C[C@H]2OCCN(C(=O)[C@@H]3C[N@H+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148893 814163043 /nfs/dbraw/zinc/16/30/43/814163043.db2.gz MEGVXMVPWVHHIW-SYGRHNPNSA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[N@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148893 814163048 /nfs/dbraw/zinc/16/30/48/814163048.db2.gz MEGVXMVPWVHHIW-SYGRHNPNSA-N 2 2 331.416 -0.606 20 30 EBEDLP C#CC[N@@H+]1C[C@H]2OCCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)[C@H]2C1 ZINC001083148893 814163051 /nfs/dbraw/zinc/16/30/51/814163051.db2.gz MEGVXMVPWVHHIW-SYGRHNPNSA-N 2 2 331.416 -0.606 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269193223 814574470 /nfs/dbraw/zinc/57/44/70/814574470.db2.gz GPCOPCRFKCNHRC-HUUCEWRRSA-N 2 2 338.452 -0.553 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC001269193223 814574476 /nfs/dbraw/zinc/57/44/76/814574476.db2.gz GPCOPCRFKCNHRC-HUUCEWRRSA-N 2 2 338.452 -0.553 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H](NC(=O)Cc1c[nH+]cn1C)C1CCCC1 ZINC001270449933 815782831 /nfs/dbraw/zinc/78/28/31/815782831.db2.gz PNZGJDGNPFGANK-INIZCTEOSA-N 2 2 345.447 -0.023 20 30 EBEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC001270589198 815819112 /nfs/dbraw/zinc/81/91/12/815819112.db2.gz CMKIUPORDRINIW-XJKSGUPXSA-N 2 2 341.431 -0.113 20 30 EBEDLP CC[NH+](CC)C[C@H](F)C(=O)N[C@]1(C)CC[N@@H+](CC(=O)NCC#N)C1 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SVWXBSTYPTUXPL-WBVHZDCISA-N 2 2 341.452 -0.537 20 30 EBEDLP C=CCOCC[NH+]1CCC[C@](CO)(NC(=O)[C@H]2C[N@@H+](C)CCO2)C1 ZINC001484431837 1126577148 /nfs/dbraw/zinc/57/71/48/1126577148.db2.gz SVWXBSTYPTUXPL-WBVHZDCISA-N 2 2 341.452 -0.537 20 30 EBEDLP C=CCOCC[N@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484431837 1126577150 /nfs/dbraw/zinc/57/71/50/1126577150.db2.gz SVWXBSTYPTUXPL-WBVHZDCISA-N 2 2 341.452 -0.537 20 30 EBEDLP C=CCOCC[N@@H+]1CCC[C@](CO)(NC(=O)[C@H]2C[NH+](C)CCO2)C1 ZINC001484431837 1126577152 /nfs/dbraw/zinc/57/71/52/1126577152.db2.gz SVWXBSTYPTUXPL-WBVHZDCISA-N 2 2 341.452 -0.537 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC001484615255 1126611579 /nfs/dbraw/zinc/61/15/79/1126611579.db2.gz QWWYULWHXFOVDD-CABCVRRESA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC001484615255 1126611580 /nfs/dbraw/zinc/61/15/80/1126611580.db2.gz QWWYULWHXFOVDD-CABCVRRESA-N 2 2 338.452 -0.410 20 30 EBEDLP CC[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)CC(=O)NCC#N)C1 ZINC001484768166 1126633420 /nfs/dbraw/zinc/63/34/20/1126633420.db2.gz ZAILTCNSDKEFHS-CQSZACIVSA-N 2 2 339.440 -0.873 20 30 EBEDLP CC[N@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)CC(=O)NCC#N)C1 ZINC001484768166 1126633421 /nfs/dbraw/zinc/63/34/21/1126633421.db2.gz ZAILTCNSDKEFHS-CQSZACIVSA-N 2 2 339.440 -0.873 20 30 EBEDLP CC[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@H+](C)CC(=O)NCC#N)C1 ZINC001484768166 1126633422 /nfs/dbraw/zinc/63/34/22/1126633422.db2.gz ZAILTCNSDKEFHS-CQSZACIVSA-N 2 2 339.440 -0.873 20 30 EBEDLP CC[NH+]1CCO[C@@H](C(=O)N(C)CCC[N@@H+](C)CC(=O)NCC#N)C1 ZINC001484768166 1126633423 /nfs/dbraw/zinc/63/34/23/1126633423.db2.gz ZAILTCNSDKEFHS-CQSZACIVSA-N 2 2 339.440 -0.873 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C2C[NH+](CC(=O)NCC)C2)CC1 ZINC001485539499 1126744909 /nfs/dbraw/zinc/74/49/09/1126744909.db2.gz LGYQXMODBZQHFZ-CQSZACIVSA-N 2 2 334.464 -0.096 20 30 EBEDLP N#CCNC(=O)C[NH2+]C[C@@H]1CC[C@H](NC(=O)CCn2cc[nH+]c2)C1 ZINC001486205329 1127059843 /nfs/dbraw/zinc/05/98/43/1127059843.db2.gz BLKIEJBXIPEDDZ-KGLIPLIRSA-N 2 2 332.408 -0.213 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(C)n(C)n1 ZINC001486281713 1127078153 /nfs/dbraw/zinc/07/81/53/1127078153.db2.gz SQTWTNCATYHQMR-IRXDYDNUSA-N 2 2 347.463 -0.265 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](O)C[NH2+]Cc1cc(C)n(C)n1 ZINC001486281713 1127078162 /nfs/dbraw/zinc/07/81/62/1127078162.db2.gz SQTWTNCATYHQMR-IRXDYDNUSA-N 2 2 347.463 -0.265 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001488655074 1128813501 /nfs/dbraw/zinc/81/35/01/1128813501.db2.gz LGNMJAWARHZNBL-GJZGRUSLSA-N 2 2 334.464 -0.001 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001488655074 1128813503 /nfs/dbraw/zinc/81/35/03/1128813503.db2.gz LGNMJAWARHZNBL-GJZGRUSLSA-N 2 2 334.464 -0.001 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001489204890 1128931176 /nfs/dbraw/zinc/93/11/76/1128931176.db2.gz CZTUNYJOXSEWFH-KGLIPLIRSA-N 2 2 344.419 -0.319 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N1C[C@@H]2C[N@H+](CC(=O)NCC#N)CC[C@@H]2C1 ZINC001489204890 1128931178 /nfs/dbraw/zinc/93/11/78/1128931178.db2.gz CZTUNYJOXSEWFH-KGLIPLIRSA-N 2 2 344.419 -0.319 20 30 EBEDLP COCC#CC[NH+]1CCN(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490509453 1129215214 /nfs/dbraw/zinc/21/52/14/1129215214.db2.gz OWPLXGQPZANXOE-UHFFFAOYSA-N 2 2 334.464 -0.534 20 30 EBEDLP COCC#CCN1CC[NH+](CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001490509453 1129215217 /nfs/dbraw/zinc/21/52/17/1129215217.db2.gz OWPLXGQPZANXOE-UHFFFAOYSA-N 2 2 334.464 -0.534 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+][C@H](CNC(=O)Cc1c[nH+]cn1C)C1CC1 ZINC001490729015 1129246924 /nfs/dbraw/zinc/24/69/24/1129246924.db2.gz RIBCTSJKDUWMEE-IUODEOHRSA-N 2 2 331.420 -0.415 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCn3c[nH+]cc3C2)C1 ZINC001491031520 1130297957 /nfs/dbraw/zinc/29/79/57/1130297957.db2.gz GMUQNEJFPPPPIU-MCIONIFRSA-N 2 2 329.404 -0.568 20 30 EBEDLP N#CCNC(=O)C[N@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001492177179 1130590466 /nfs/dbraw/zinc/59/04/66/1130590466.db2.gz DXYBMRQEEDKIMA-CQSZACIVSA-N 2 2 332.408 -0.116 20 30 EBEDLP N#CCNC(=O)C[N@@H+]1CCC[C@H]1CCCNC(=O)Cn1cc[nH+]c1 ZINC001492177179 1130590470 /nfs/dbraw/zinc/59/04/70/1130590470.db2.gz DXYBMRQEEDKIMA-CQSZACIVSA-N 2 2 332.408 -0.116 20 30 EBEDLP C[NH+]=C(NCCn1cc[nH+]c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261669848 379221847 /nfs/dbraw/zinc/22/18/47/379221847.db2.gz GSHFIGBYOOBSSA-UHFFFAOYSA-N 2 2 330.396 -0.459 20 30 EBEDLP C[NH+]=C(NCc1c[nH]nc1C)N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000261970898 379227056 /nfs/dbraw/zinc/22/70/56/379227056.db2.gz MTAPVXNQQMXJCD-UHFFFAOYSA-N 2 2 335.456 -0.111 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC([C@H](O)C(=O)OC)CC2)CC1 ZINC000490865357 379565124 /nfs/dbraw/zinc/56/51/24/379565124.db2.gz BMANZOXANLNSQX-INIZCTEOSA-N 2 2 337.420 -0.990 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH+]2CCC(Cn3cncn3)CC2)CC1 ZINC000491048303 379578350 /nfs/dbraw/zinc/57/83/50/379578350.db2.gz XSIACSZSKKUBSY-UHFFFAOYSA-N 2 2 330.436 -0.233 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)CC1 ZINC000491668455 379614227 /nfs/dbraw/zinc/61/42/27/379614227.db2.gz OOQVEHMRNLGMOE-HNNXBMFYSA-N 2 2 334.420 -0.462 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[N@H+]2CC[C@H](CN3CCOC3=O)C2)CC1 ZINC000491668455 379614235 /nfs/dbraw/zinc/61/42/35/379614235.db2.gz OOQVEHMRNLGMOE-HNNXBMFYSA-N 2 2 334.420 -0.462 20 30 EBEDLP C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000340250557 380339761 /nfs/dbraw/zinc/33/97/61/380339761.db2.gz HGBUZBAPPFQDTL-AWEZNQCLSA-N 2 2 338.452 -0.410 20 30 EBEDLP COC(=O)CN(CC[NH+]1CCOCC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424167887 381786545 /nfs/dbraw/zinc/78/65/45/381786545.db2.gz FEIJUKUDUGYGII-CYBMUJFWSA-N 2 2 326.397 -0.659 20 30 EBEDLP C[C@H](CNC(=O)NCCC(=O)N1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000328772351 582546294 /nfs/dbraw/zinc/54/62/94/582546294.db2.gz HCQKCKVTXYFMHZ-CQSZACIVSA-N 2 2 341.456 -0.625 20 30 EBEDLP C#CC[NH+]1CCN(C(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000852284827 584210981 /nfs/dbraw/zinc/21/09/81/584210981.db2.gz UIHLCZCXHRWXFY-GOSISDBHSA-N 2 2 349.475 -0.079 20 30 EBEDLP O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000852871494 584218356 /nfs/dbraw/zinc/21/83/56/584218356.db2.gz PRJJQYBSBVNGRO-INIZCTEOSA-N 2 2 348.447 -0.961 20 30 EBEDLP C#CC[N@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000884053784 584613028 /nfs/dbraw/zinc/61/30/28/584613028.db2.gz HAPMAZMRHIPFLL-OAHLLOKOSA-N 2 2 335.452 -0.406 20 30 EBEDLP C#CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](CC(=O)NC)CC2)C1 ZINC000884053784 584613030 /nfs/dbraw/zinc/61/30/30/584613030.db2.gz HAPMAZMRHIPFLL-OAHLLOKOSA-N 2 2 335.452 -0.406 20 30 EBEDLP C=CCOC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@@H]1C[NH+]1CCOCC1 ZINC000884196772 584617716 /nfs/dbraw/zinc/61/77/16/584617716.db2.gz APJQSPYJBBSESL-KGLIPLIRSA-N 2 2 325.409 -0.244 20 30 EBEDLP C#CC[N@H+]1CCC[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000887700051 584680623 /nfs/dbraw/zinc/68/06/23/584680623.db2.gz WZKAQHIMNXSUNE-HNNXBMFYSA-N 2 2 335.452 -0.453 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H](NC(=O)NCCC(=O)N2CC[NH+](C)CC2)C1 ZINC000887700051 584680624 /nfs/dbraw/zinc/68/06/24/584680624.db2.gz WZKAQHIMNXSUNE-HNNXBMFYSA-N 2 2 335.452 -0.453 20 30 EBEDLP C#CCN(C(=O)C(=O)N1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000910886380 650135953 /nfs/dbraw/zinc/13/59/53/650135953.db2.gz UVHIMZGUDCENRB-UHFFFAOYSA-N 2 2 332.448 -0.151 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N2CC[C@@H](NC(=O)Cn3cc[nH+]c3)C2)CC1 ZINC000941309845 652654905 /nfs/dbraw/zinc/65/49/05/652654905.db2.gz MGMHHRNAGWGBFD-MRXNPFEDSA-N 2 2 343.431 -0.055 20 30 EBEDLP CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961316274 722929175 /nfs/dbraw/zinc/92/91/75/722929175.db2.gz VUAHZEJMNDMCSB-ZBRFXRBCSA-N 2 2 347.459 -0.064 20 30 EBEDLP CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC[C@H](C[NH+]2CCOCC2)O1 ZINC000961316274 722929176 /nfs/dbraw/zinc/92/91/76/722929176.db2.gz VUAHZEJMNDMCSB-ZBRFXRBCSA-N 2 2 347.459 -0.064 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2cncn2)C1 ZINC000969865501 725223867 /nfs/dbraw/zinc/22/38/67/725223867.db2.gz PLTABGUCGJKROA-ZBFHGGJFSA-N 2 2 330.436 -0.188 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCn2cncn2)C1 ZINC000969865501 725223869 /nfs/dbraw/zinc/22/38/69/725223869.db2.gz PLTABGUCGJKROA-ZBFHGGJFSA-N 2 2 330.436 -0.188 20 30 EBEDLP C=CCN1CC[C@H]([NH2+][C@@H]2CCN(C(=O)Cc3c[nH+]cn3C)C2)C1=O ZINC000970481250 725295062 /nfs/dbraw/zinc/29/50/62/725295062.db2.gz BINGPDKKZCWDHC-HIFRSBDPSA-N 2 2 331.420 -0.060 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@@H+](C)Cc2cnnn2C)C1 ZINC000971705164 725432412 /nfs/dbraw/zinc/43/24/12/725432412.db2.gz ZVAUPWINRYNUGQ-ZBFHGGJFSA-N 2 2 330.436 -0.055 20 30 EBEDLP C#CC[NH+]1CCC[C@H]1C(=O)N1CC[C@@H]([N@H+](C)Cc2cnnn2C)C1 ZINC000971705164 725432413 /nfs/dbraw/zinc/43/24/13/725432413.db2.gz ZVAUPWINRYNUGQ-ZBFHGGJFSA-N 2 2 330.436 -0.055 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnnn2C)C1 ZINC000971705164 725432414 /nfs/dbraw/zinc/43/24/14/725432414.db2.gz ZVAUPWINRYNUGQ-ZBFHGGJFSA-N 2 2 330.436 -0.055 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H]([NH+](C)Cc2cnnn2C)C1 ZINC000971705164 725432415 /nfs/dbraw/zinc/43/24/15/725432415.db2.gz ZVAUPWINRYNUGQ-ZBFHGGJFSA-N 2 2 330.436 -0.055 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999393217 726518174 /nfs/dbraw/zinc/51/81/74/726518174.db2.gz WWEOCJNGJMZGIP-KGLIPLIRSA-N 2 2 346.435 -0.713 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC000999393217 726518175 /nfs/dbraw/zinc/51/81/75/726518175.db2.gz WWEOCJNGJMZGIP-KGLIPLIRSA-N 2 2 346.435 -0.713 20 30 EBEDLP 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/nfs/dbraw/zinc/30/87/00/833308700.db2.gz ZOUNMPNKICQYDV-GFCCVEGCSA-N 2 2 335.408 -0.158 20 30 EBEDLP C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)Cn3cc[nH+]c3)n2)O1 ZINC001130820315 828947160 /nfs/dbraw/zinc/94/71/60/828947160.db2.gz SONJIFYZWGFBOD-QWHCGFSZSA-N 2 2 343.391 -0.240 20 30 EBEDLP C#CCNC(=O)C[NH2+]C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C ZINC001185501018 833360464 /nfs/dbraw/zinc/36/04/64/833360464.db2.gz AVFQADGQIBVBTP-HUUCEWRRSA-N 2 2 345.447 -0.214 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@@H](C[NH2+]CC(=O)NCC#N)[C@H](C)C1 ZINC001185575136 833361371 /nfs/dbraw/zinc/36/13/71/833361371.db2.gz UFONRERITXVWTB-OCCSQVGLSA-N 2 2 346.435 -0.025 20 30 EBEDLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N1CC[C@@H]([NH2+]CC(=O)NCC#N)C1 ZINC001185749219 833369181 /nfs/dbraw/zinc/36/91/81/833369181.db2.gz DRMWWHMHVGGFHG-JHJVBQTASA-N 2 2 330.392 -0.646 20 30 EBEDLP C[C@@H]1CN(C(=O)Cn2cc[nH+]c2)CC[C@H]1C[NH2+]CC(=O)NCC#N ZINC001185790338 833370110 /nfs/dbraw/zinc/37/01/10/833370110.db2.gz ZTYSKDMICMLAJR-KGLIPLIRSA-N 2 2 332.408 -0.403 20 30 EBEDLP C[C@H]1CCN(C(=O)Cc2c[nH+]cn2C)C[C@H]1C[NH2+]CC(=O)NCC#N ZINC001133242154 829610298 /nfs/dbraw/zinc/61/02/98/829610298.db2.gz NYCBACJNXOBWEG-UONOGXRCSA-N 2 2 346.435 -0.323 20 30 EBEDLP Cc1[nH+]c[nH]c1CC(=O)N1CC[C@H](C)[C@@H](C[NH2+]CC(=O)NCC#N)C1 ZINC001133275813 829615010 /nfs/dbraw/zinc/61/50/10/829615010.db2.gz WPIMMYLWZQBVSE-JSGCOSHPSA-N 2 2 346.435 -0.025 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)N[C@H](C)C[C@H](C)[NH2+]Cc2nnn(C)n2)CC1 ZINC001146584670 830210965 /nfs/dbraw/zinc/21/09/65/830210965.db2.gz UGZCRCSYTROEAB-UONOGXRCSA-N 2 2 347.467 -0.072 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@H+](C)CCO3)C2)C1 ZINC001147297503 830316573 /nfs/dbraw/zinc/31/65/73/830316573.db2.gz LTNAYARHAUDAMZ-AWEZNQCLSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCC2(CN(C(=O)[C@@H]3C[N@@H+](C)CCO3)C2)C1 ZINC001147297503 830316576 /nfs/dbraw/zinc/31/65/76/830316576.db2.gz LTNAYARHAUDAMZ-AWEZNQCLSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297503 830316582 /nfs/dbraw/zinc/31/65/82/830316582.db2.gz LTNAYARHAUDAMZ-AWEZNQCLSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCC2(CN(C(=O)[C@@H]3C[NH+](C)CCO3)C2)C1 ZINC001147297503 830316588 /nfs/dbraw/zinc/31/65/88/830316588.db2.gz LTNAYARHAUDAMZ-AWEZNQCLSA-N 2 2 336.436 -0.847 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCNC(=O)Cc1[nH]c[nH+]c1C ZINC001149135135 830598358 /nfs/dbraw/zinc/59/83/58/830598358.db2.gz RQQNEHVRPLJPIL-NSHDSACASA-N 2 2 336.396 -0.633 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001149399300 830657095 /nfs/dbraw/zinc/65/70/95/830657095.db2.gz RUBSSPFSKXIRIJ-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[NH+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001149399300 830657101 /nfs/dbraw/zinc/65/71/01/830657101.db2.gz RUBSSPFSKXIRIJ-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399300 830657110 /nfs/dbraw/zinc/65/71/10/830657110.db2.gz RUBSSPFSKXIRIJ-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C=CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001149399300 830657111 /nfs/dbraw/zinc/65/71/11/830657111.db2.gz RUBSSPFSKXIRIJ-LSDHHAIUSA-N 2 2 338.452 -0.410 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150726095 830971372 /nfs/dbraw/zinc/97/13/72/830971372.db2.gz ZSBIVHSHEMYGBD-HNNXBMFYSA-N 2 2 347.419 -0.852 20 30 EBEDLP C#CCNC(=O)C[N@H+]1CCCO[C@@H](CNC(=O)Cn2cc[nH+]c2C)C1 ZINC001150726095 830971374 /nfs/dbraw/zinc/97/13/74/830971374.db2.gz ZSBIVHSHEMYGBD-HNNXBMFYSA-N 2 2 347.419 -0.852 20 30 EBEDLP C#CC[NH+]1CCC(C(=O)NCC[NH2+]Cc2nc(N(C)C)no2)CC1 ZINC001152334883 831153027 /nfs/dbraw/zinc/15/30/27/831153027.db2.gz UGPTXNYWHIEFAT-UHFFFAOYSA-N 2 2 334.424 -0.313 20 30 EBEDLP C#CCNC(=O)[C@@H](C)[NH2+]CCNC(=O)[C@@H](c1cccnc1)[NH+](C)C ZINC001152618323 831179154 /nfs/dbraw/zinc/17/91/54/831179154.db2.gz KUXHFEVTVPTPMC-UKRRQHHQSA-N 2 2 331.420 -0.472 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001160197856 831825321 /nfs/dbraw/zinc/82/53/21/831825321.db2.gz KPAIZOSNKDFKOV-AWEZNQCLSA-N 2 2 331.424 -0.299 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nnnn1C1CC1 ZINC001160197856 831825325 /nfs/dbraw/zinc/82/53/25/831825325.db2.gz KPAIZOSNKDFKOV-AWEZNQCLSA-N 2 2 331.424 -0.299 20 30 EBEDLP C#CC[N@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(COC)no1 ZINC001160197709 831825609 /nfs/dbraw/zinc/82/56/09/831825609.db2.gz DIBNKZIQPNUHJD-ZDUSSCGKSA-N 2 2 335.408 -0.091 20 30 EBEDLP C#CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH2+]Cc1nc(COC)no1 ZINC001160197709 831825611 /nfs/dbraw/zinc/82/56/11/831825611.db2.gz DIBNKZIQPNUHJD-ZDUSSCGKSA-N 2 2 335.408 -0.091 20 30 EBEDLP C=CCNC(=O)NC(=O)[C@H](C)[NH2+]CCCNC(=O)Cc1[nH]cc[nH+]1 ZINC001169228303 832452658 /nfs/dbraw/zinc/45/26/58/832452658.db2.gz GLHJNYLNZRILPO-NSHDSACASA-N 2 2 336.396 -0.552 20 30 EBEDLP C#CCN(C(=O)C(=O)N1CCn2c[nH+]cc2C1)C1CC[NH+](C)CC1 ZINC001356395399 832625359 /nfs/dbraw/zinc/62/53/59/832625359.db2.gz DGMKSNRPKAHAJW-UHFFFAOYSA-N 2 2 329.404 -0.219 20 30 EBEDLP C#CCNC(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H](c2cccnc2)[NH+](C)C)C1 ZINC001188172270 834019808 /nfs/dbraw/zinc/01/98/08/834019808.db2.gz DLNQPZHYOMOBIO-NVXWUHKLSA-N 2 2 343.431 -0.376 20 30 EBEDLP C[N@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001188219291 834024445 /nfs/dbraw/zinc/02/44/45/834024445.db2.gz LFYZXNFYFXXTTO-DZGCQCFKSA-N 2 2 333.436 -0.357 20 30 EBEDLP C[N@@H+](CC(=O)N1CC[C@H]2C[NH+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001188219291 834024451 /nfs/dbraw/zinc/02/44/51/834024451.db2.gz LFYZXNFYFXXTTO-DZGCQCFKSA-N 2 2 333.436 -0.357 20 30 EBEDLP C[NH+](CC(=O)N1CC[C@H]2C[N@H+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001188219291 834024459 /nfs/dbraw/zinc/02/44/59/834024459.db2.gz LFYZXNFYFXXTTO-DZGCQCFKSA-N 2 2 333.436 -0.357 20 30 EBEDLP C[NH+](CC(=O)N1CC[C@H]2C[N@@H+](CC(=O)NCC#N)C[C@H]21)C1CCC1 ZINC001188219291 834024469 /nfs/dbraw/zinc/02/44/69/834024469.db2.gz LFYZXNFYFXXTTO-DZGCQCFKSA-N 2 2 333.436 -0.357 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)[C@@H]2C1 ZINC001188818562 834100283 /nfs/dbraw/zinc/10/02/83/834100283.db2.gz KFCOTUVPWFYYNC-HRCADAONSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)[C@@H]2C1 ZINC001188818562 834100286 /nfs/dbraw/zinc/10/02/86/834100286.db2.gz KFCOTUVPWFYYNC-HRCADAONSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818562 834100288 /nfs/dbraw/zinc/10/02/88/834100288.db2.gz KFCOTUVPWFYYNC-HRCADAONSA-N 2 2 332.448 -0.247 20 30 EBEDLP C#CCNC(=O)C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001188818562 834100292 /nfs/dbraw/zinc/10/02/92/834100292.db2.gz KFCOTUVPWFYYNC-HRCADAONSA-N 2 2 332.448 -0.247 20 30 EBEDLP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001188962577 834110993 /nfs/dbraw/zinc/11/09/93/834110993.db2.gz DPNVPYWMHQIBQL-UONOGXRCSA-N 2 2 333.436 -0.499 20 30 EBEDLP C[NH+](C)CC1(C(=O)N2CC[C@H]3C[N@@H+](CC(=O)NCC#N)C[C@H]32)CC1 ZINC001188962577 834110996 /nfs/dbraw/zinc/11/09/96/834110996.db2.gz DPNVPYWMHQIBQL-UONOGXRCSA-N 2 2 333.436 -0.499 20 30 EBEDLP C=CCOCC[N@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250820 835060461 /nfs/dbraw/zinc/06/04/61/835060461.db2.gz HGACSFQCQQGBOU-NUEKZKHPSA-N 2 2 334.420 -0.191 20 30 EBEDLP C=CCOCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2CCc3c[nH+]cn3C2)C1 ZINC001194250820 835060473 /nfs/dbraw/zinc/06/04/73/835060473.db2.gz HGACSFQCQQGBOU-NUEKZKHPSA-N 2 2 334.420 -0.191 20 30 EBEDLP COCC#CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207569 835369283 /nfs/dbraw/zinc/36/92/83/835369283.db2.gz QGFJFYQEMAHBCX-HUUCEWRRSA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[N@H+]1C[C@@H](O)[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001196207569 835369290 /nfs/dbraw/zinc/36/92/90/835369290.db2.gz QGFJFYQEMAHBCX-HUUCEWRRSA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001196207569 835369296 /nfs/dbraw/zinc/36/92/96/835369296.db2.gz QGFJFYQEMAHBCX-HUUCEWRRSA-N 2 2 325.453 -0.225 20 30 EBEDLP COCC#CC[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001196207569 835369302 /nfs/dbraw/zinc/36/93/02/835369302.db2.gz QGFJFYQEMAHBCX-HUUCEWRRSA-N 2 2 325.453 -0.225 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@@H+](C)CC)C1 ZINC001197493220 835565188 /nfs/dbraw/zinc/56/51/88/835565188.db2.gz GSBOVPKXGUMPTD-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)CC[N@H+](C)CC)C1 ZINC001197493220 835565200 /nfs/dbraw/zinc/56/52/00/835565200.db2.gz GSBOVPKXGUMPTD-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493220 835565212 /nfs/dbraw/zinc/56/52/12/835565212.db2.gz GSBOVPKXGUMPTD-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001197493220 835565223 /nfs/dbraw/zinc/56/52/23/835565223.db2.gz GSBOVPKXGUMPTD-BFHYXJOUSA-N 2 2 326.441 -0.820 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197824239 835613277 /nfs/dbraw/zinc/61/32/77/835613277.db2.gz MFJQUQNJVGJGGQ-HNNXBMFYSA-N 2 2 332.448 -0.246 20 30 EBEDLP C#CCNC(=O)[C@H](C)[N@H+]1CCCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001197824239 835613278 /nfs/dbraw/zinc/61/32/78/835613278.db2.gz MFJQUQNJVGJGGQ-HNNXBMFYSA-N 2 2 332.448 -0.246 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001199103673 835763215 /nfs/dbraw/zinc/76/32/15/835763215.db2.gz BMNFRZWQAMFYRP-MGPQQGTHSA-N 2 2 326.441 -0.821 20 30 EBEDLP C=CCNC(=O)[C@@H](C)[NH+]1C[C@@H](O)[C@H](NC(=O)C[N@H+](C)C(C)C)C1 ZINC001199103673 835763221 /nfs/dbraw/zinc/76/32/21/835763221.db2.gz BMNFRZWQAMFYRP-MGPQQGTHSA-N 2 2 326.441 -0.821 20 30 EBEDLP 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