smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name N#Cc1ccc(C(=O)N2CCO[C@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571309630 946449091 /nfs/dbraw/zinc/44/90/91/946449091.db2.gz FWLDUZKISAJOIX-OAHLLOKOSA-N 1 0 392.423 0.697 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573284882 946760512 /nfs/dbraw/zinc/76/05/12/946760512.db2.gz AENCDKIXKMJRQS-DZGCQCFKSA-N 1 0 384.440 0.604 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001573284931 946761951 /nfs/dbraw/zinc/76/19/51/946761951.db2.gz ANQKCUOWFAQMAU-TZMCWYRMSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CC[NH2+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001573286002 946792255 /nfs/dbraw/zinc/79/22/55/946792255.db2.gz RFYOSGFLQULHRK-RDJZCZTQSA-N 1 0 383.456 0.817 20 30 GCEDRO C#CCOCCC(=O)N1CC2(C1)CC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001573286506 946808229 /nfs/dbraw/zinc/80/82/29/946808229.db2.gz CTOZTKRXOKKEPG-UHFFFAOYSA-N 1 0 380.452 0.941 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573287176 946828716 /nfs/dbraw/zinc/82/87/16/946828716.db2.gz MATNYBCBAPRLKZ-MRXNPFEDSA-N 1 0 384.440 0.606 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccccc2-c2nn[nH]n2)cc1 ZINC001573287809 946848611 /nfs/dbraw/zinc/84/86/11/946848611.db2.gz LDIYXWCMQPVANX-QGZVFWFLSA-N 1 0 376.420 0.729 20 30 GCEDRO C#CCO[C@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573288660 946874879 /nfs/dbraw/zinc/87/48/79/946874879.db2.gz XHRCLUYVHCABAZ-WQVCFCJDSA-N 1 0 384.440 0.650 20 30 GCEDRO C#Cc1cncc(C(=O)N2C[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)[C@H](C)C2)c1 ZINC001573290146 946897704 /nfs/dbraw/zinc/89/77/04/946897704.db2.gz FUFRXQQCTAZURL-CZUORRHYSA-N 1 0 388.435 0.880 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573565101 946999809 /nfs/dbraw/zinc/99/98/09/946999809.db2.gz MYTXEGVDDAOEID-AWEZNQCLSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567682 947052869 /nfs/dbraw/zinc/05/28/69/947052869.db2.gz QVAVODNLIMNKJE-SGTLLEGYSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573567812 947056696 /nfs/dbraw/zinc/05/66/96/947056696.db2.gz SZRHXRHCKHGUIC-KPZWWZAWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOCC1 ZINC001573575920 947145466 /nfs/dbraw/zinc/14/54/66/947145466.db2.gz BULDLFWHWGMZSI-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573584470 947223443 /nfs/dbraw/zinc/22/34/43/947223443.db2.gz WMNDBMOXYLQNNH-IUODEOHRSA-N 1 0 387.419 0.873 20 30 GCEDRO C=CCOCC(=O)N1CCO[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573343202 947552321 /nfs/dbraw/zinc/55/23/21/947552321.db2.gz KTTJGLNXQXYCPQ-HNNXBMFYSA-N 1 0 390.419 0.525 20 30 GCEDRO C=CCn1cc(C(=O)NCC=CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350259 947595335 /nfs/dbraw/zinc/59/53/35/947595335.db2.gz BECTZIFMYWCXDM-ARJAWSKDSA-N 1 0 379.428 0.720 20 30 GCEDRO C[NH+]=C(NC[C@@H](C)SC)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261651906 530129182 /nfs/dbraw/zinc/12/91/82/530129182.db2.gz ACIQVDLGOLMAIV-GFCCVEGCSA-N 1 0 375.520 0.449 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CCN(c2cccs2)CC1 ZINC000261999573 530131012 /nfs/dbraw/zinc/13/10/12/530131012.db2.gz TZTBBMZVKZKZRF-CQSZACIVSA-N 1 0 385.559 0.870 20 30 GCEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000569355762 530228550 /nfs/dbraw/zinc/22/85/50/530228550.db2.gz YESPRZKZNNQBDY-CYBMUJFWSA-N 1 0 386.499 0.251 20 30 GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262309247 530213198 /nfs/dbraw/zinc/21/31/98/530213198.db2.gz OVNDOMGNCWRBJY-AWEZNQCLSA-N 1 0 399.314 0.989 20 30 GCEDRO C[NH+]=C(NCc1nccs1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000153583274 530316377 /nfs/dbraw/zinc/31/63/77/530316377.db2.gz WZCTWEUKZITEGU-UHFFFAOYSA-N 1 0 384.487 0.354 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)CC#N)c(C)c[nH+]1 ZINC000574927646 530328490 /nfs/dbraw/zinc/32/84/90/530328490.db2.gz QYHBSXHXFSLJCB-AWEZNQCLSA-N 1 0 388.515 0.816 20 30 GCEDRO N#Cc1cc(Br)cnc1NCCCC[NH+]1CCN(CCO)CC1 ZINC000450328469 530364005 /nfs/dbraw/zinc/36/40/05/530364005.db2.gz CBYFLGXVGXFSRA-UHFFFAOYSA-N 1 0 382.306 1.518 20 30 GCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000591767211 530410668 /nfs/dbraw/zinc/41/06/68/530410668.db2.gz ZMJCFGQTJRJFMM-HUUCEWRRSA-N 1 0 386.543 0.697 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000328681875 530517459 /nfs/dbraw/zinc/51/74/59/530517459.db2.gz OKQUUOWJSNMWQC-HUUCEWRRSA-N 1 0 376.523 0.271 20 30 GCEDRO CCS(=O)(=O)NC1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000330474955 530520398 /nfs/dbraw/zinc/52/03/98/530520398.db2.gz FGOHWDDFKKHNDE-UHFFFAOYSA-N 1 0 376.523 0.415 20 30 GCEDRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000330732914 530524922 /nfs/dbraw/zinc/52/49/22/530524922.db2.gz SIGPONPUQIVLQK-HUUCEWRRSA-N 1 0 376.523 0.461 20 30 GCEDRO CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000566488180 530530744 /nfs/dbraw/zinc/53/07/44/530530744.db2.gz NJAWJCZKEPTLAR-CYBMUJFWSA-N 1 0 386.499 0.061 20 30 GCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000330941591 530533701 /nfs/dbraw/zinc/53/37/01/530533701.db2.gz YSROCAHLTPYZSS-CABCVRRESA-N 1 0 376.523 0.367 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000331249052 530544435 /nfs/dbraw/zinc/54/44/35/530544435.db2.gz XHDUWYMTJUGFFT-CQSZACIVSA-N 1 0 375.539 0.683 20 30 GCEDRO C=CCN(Cc1ccc(Cl)s1)C(=O)C(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000563799903 530561198 /nfs/dbraw/zinc/56/11/98/530561198.db2.gz OKDIXUBJVUNZIH-UHFFFAOYSA-N 1 0 384.889 0.464 20 30 GCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000293736375 530567507 /nfs/dbraw/zinc/56/75/07/530567507.db2.gz HDXYCUQQMUANGX-UHFFFAOYSA-N 1 0 385.511 0.460 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(CC#N)cc1Cl ZINC000451228753 530575954 /nfs/dbraw/zinc/57/59/54/530575954.db2.gz NZOGULDUMUQOFG-UHFFFAOYSA-N 1 0 389.905 0.967 20 30 GCEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000330100763 530626038 /nfs/dbraw/zinc/62/60/38/530626038.db2.gz FBLFPSGFSLIRON-AWEZNQCLSA-N 1 0 378.564 0.553 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000349463933 530640637 /nfs/dbraw/zinc/64/06/37/530640637.db2.gz CACGKFVVMFHIGR-SOUVJXGZSA-N 1 0 392.547 0.096 20 30 GCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)s1 ZINC000577275275 530619312 /nfs/dbraw/zinc/61/93/12/530619312.db2.gz RZAMUHCNCCGXPK-LLVKDONJSA-N 1 0 380.923 0.476 20 30 GCEDRO CC#CCN(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)[nH+]cc1C ZINC000579494456 530743814 /nfs/dbraw/zinc/74/38/14/530743814.db2.gz OZGBVMGUVDLPAF-UHFFFAOYSA-N 1 0 387.527 0.927 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000579732234 530746683 /nfs/dbraw/zinc/74/66/83/530746683.db2.gz SFZPTVCFOYDFPU-ZDUSSCGKSA-N 1 0 388.515 0.401 20 30 GCEDRO CN(C(C)(C)C#N)S(=O)(=O)c1ccccc1S(=O)(=O)NCC[NH+](C)C ZINC000579972825 530749521 /nfs/dbraw/zinc/74/95/21/530749521.db2.gz LHWGKONTYOIPNV-UHFFFAOYSA-N 1 0 388.515 0.449 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](O)C2)cc1Br ZINC000600099318 530821056 /nfs/dbraw/zinc/82/10/56/530821056.db2.gz LPKQRRCMCQRIMP-LBPRGKRZSA-N 1 0 381.230 0.442 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)cc1Br ZINC000600070568 530821357 /nfs/dbraw/zinc/82/13/57/530821357.db2.gz LPKQRRCMCQRIMP-GFCCVEGCSA-N 1 0 381.230 0.442 20 30 GCEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000600721790 530822647 /nfs/dbraw/zinc/82/26/47/530822647.db2.gz MDGKQSCYHWUQBO-HNNXBMFYSA-N 1 0 385.511 0.266 20 30 GCEDRO CC[N@@H+]1CCCN(S(=O)(=O)CCCS(=O)(=O)N(C)C(C)(C)C#N)CC1 ZINC000349534403 530899518 /nfs/dbraw/zinc/89/95/18/530899518.db2.gz SPBLCWAMJHFOFE-UHFFFAOYSA-N 1 0 394.563 0.298 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CCC2)cc[nH+]1 ZINC000349547826 530902882 /nfs/dbraw/zinc/90/28/82/530902882.db2.gz VQTOJXTZDDYUAE-UHFFFAOYSA-N 1 0 386.499 0.557 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCSC1 ZINC000555057317 530904755 /nfs/dbraw/zinc/90/47/55/530904755.db2.gz ZHSLSIRQKXBQBW-INIZCTEOSA-N 1 0 382.511 0.390 20 30 GCEDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1 ZINC000349469972 530891173 /nfs/dbraw/zinc/89/11/73/530891173.db2.gz LUEYTEGABHEINE-UHFFFAOYSA-N 1 0 386.499 0.203 20 30 GCEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000520997359 530963288 /nfs/dbraw/zinc/96/32/88/530963288.db2.gz JFHGODRQVDYKTA-CQSZACIVSA-N 1 0 376.523 0.918 20 30 GCEDRO CC[N@H+](CCO)CCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000499535002 530942597 /nfs/dbraw/zinc/94/25/97/530942597.db2.gz QRVSRTHYUGNPSM-UHFFFAOYSA-N 1 0 383.246 0.690 20 30 GCEDRO [NH2+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1CCOc2ccccc21 ZINC000262510925 530997940 /nfs/dbraw/zinc/99/79/40/530997940.db2.gz DBTDPWGYDZMLKW-CQSZACIVSA-N 1 0 384.527 0.793 20 30 GCEDRO C=C[C@@H](C)NS(=O)(=O)CCCS(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000349592185 531074186 /nfs/dbraw/zinc/07/41/86/531074186.db2.gz NEFHFMCTOVQJAN-CYBMUJFWSA-N 1 0 388.515 0.552 20 30 GCEDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC2(C#N)CC2)cc1 ZINC000564349923 531116018 /nfs/dbraw/zinc/11/60/18/531116018.db2.gz QJEUFIYKRUQPCA-UHFFFAOYSA-N 1 0 386.499 0.251 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000735382340 598983220 /nfs/dbraw/zinc/98/32/20/598983220.db2.gz YYNKKCNBAVBJKK-UHFFFAOYSA-N 1 0 384.440 0.716 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735381685 598384319 /nfs/dbraw/zinc/38/43/19/598384319.db2.gz OUEJULZOLICZHK-IBGZPJMESA-N 1 0 393.495 0.999 20 30 GCEDRO C#CCC[NH+]1CCC(NC(=O)CNC(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000819693927 599392498 /nfs/dbraw/zinc/39/24/98/599392498.db2.gz ZVYXSSWXBRHTAH-UHFFFAOYSA-N 1 0 381.440 0.200 20 30 GCEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000819857875 606699201 /nfs/dbraw/zinc/69/92/01/606699201.db2.gz WIJYKYOKAKCKGO-DIFFPNOSSA-N 1 0 388.480 0.479 20 30 GCEDRO C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000819877401 606699506 /nfs/dbraw/zinc/69/95/06/606699506.db2.gz VJKCDMBPLCUMHS-NSHDSACASA-N 1 0 394.443 0.935 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NC1(C#N)CCCCC1 ZINC000821600495 606700114 /nfs/dbraw/zinc/70/01/14/606700114.db2.gz OVSWSOUDQNPKLQ-UHFFFAOYSA-N 1 0 386.464 0.379 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(C#N)c2)c1-c1nn[nH]n1 ZINC000826077773 608022251 /nfs/dbraw/zinc/02/22/51/608022251.db2.gz VHZQVOMBPCSBJJ-UHFFFAOYSA-N 1 0 381.400 0.631 20 30 GCEDRO Cc1oc(NC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)c(C#N)c1C ZINC000826341801 608035141 /nfs/dbraw/zinc/03/51/41/608035141.db2.gz QGGOLDAQCBPUHB-UHFFFAOYSA-N 1 0 398.431 0.757 20 30 GCEDRO CCc1nsc(N2CCN(C(NC[C@H]3CCS(=O)(=O)C3)=[NH+]C)CC2)n1 ZINC000261670413 638651054 /nfs/dbraw/zinc/65/10/54/638651054.db2.gz BXUFIPWFQVJIJH-GFCCVEGCSA-N 1 0 386.547 0.233 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261709353 638664479 /nfs/dbraw/zinc/66/44/79/638664479.db2.gz JVZCGSPEZYGTEC-OLZOCXBDSA-N 1 0 378.564 0.344 20 30 GCEDRO C[NH+]=C(NCCNS(C)(=O)=O)N(C)Cc1cc(Br)cn1C ZINC000261789111 638683366 /nfs/dbraw/zinc/68/33/66/638683366.db2.gz QEUXVOOEIJGZEL-UHFFFAOYSA-N 1 0 380.312 0.344 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@@]2(CCOC2)C1 ZINC000261982044 638697236 /nfs/dbraw/zinc/69/72/36/638697236.db2.gz PBZINDSJYDIACJ-OAHLLOKOSA-N 1 0 376.548 0.053 20 30 GCEDRO Cc1ccc(Br)c(S(=O)(=O)NCCNC2=[NH+]C[C@H](C)N2)c1 ZINC000262658385 639129142 /nfs/dbraw/zinc/12/91/42/639129142.db2.gz MFTWNFMLHVQZDG-JTQLQIEISA-N 1 0 375.292 0.973 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N1CCC2(C1)CCOCC2 ZINC000262808632 639139688 /nfs/dbraw/zinc/13/96/88/639139688.db2.gz UHNLVGKZXOYPHU-UHFFFAOYSA-N 1 0 390.575 0.443 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000913515045 639581492 /nfs/dbraw/zinc/58/14/92/639581492.db2.gz GNDQCDNMXMQIGX-UHFFFAOYSA-N 1 0 378.281 0.953 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000913516836 639581650 /nfs/dbraw/zinc/58/16/50/639581650.db2.gz IFAUIEJVAGVIKN-UHFFFAOYSA-N 1 0 380.242 0.856 20 30 GCEDRO C[NH+]=C(NCCOC)N1CCN(c2ncc(Br)c(OC)n2)CC1 ZINC000156351922 639584471 /nfs/dbraw/zinc/58/44/71/639584471.db2.gz CADVAMMQKQLUJK-UHFFFAOYSA-N 1 0 387.282 0.592 20 30 GCEDRO Cc1cccc(C#N)c1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000871807963 641458607 /nfs/dbraw/zinc/45/86/07/641458607.db2.gz TZTOAGHWLFPUOK-CYBMUJFWSA-N 1 0 376.404 0.981 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@H]2CC[N@@H+](CCOC)C2)s1 ZINC000874444274 641525050 /nfs/dbraw/zinc/52/50/50/641525050.db2.gz UYXSRCVFWVXRQZ-ZDUSSCGKSA-N 1 0 387.527 0.592 20 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FTRHOPATDVXETO-SFHVURJKSA-N 1 0 383.562 0.060 20 30 GCEDRO N#Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2=O)cc1 ZINC000458692988 1186947681 /nfs/dbraw/zinc/94/76/81/1186947681.db2.gz HFRVKGGMWAHUEO-MOPGFXCFSA-N 1 0 399.495 0.805 20 30 GCEDRO N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3CCCO)C2=O)cc1 ZINC000458692991 1186947719 /nfs/dbraw/zinc/94/77/19/1186947719.db2.gz HFRVKGGMWAHUEO-RTBURBONSA-N 1 0 399.495 0.805 20 30 GCEDRO CC(C)(C)c1csc(NC(=O)C(=O)NCC(=O)N2CC[NH2+]CC2)c1C#N ZINC000583919706 1186961494 /nfs/dbraw/zinc/96/14/94/1186961494.db2.gz WRRDSCUUSDHGNS-UHFFFAOYSA-N 1 0 377.470 0.404 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH+]2CCC([C@@H]3NC(=O)C3(C)C)CC2)CC1 ZINC000583972972 1186971469 /nfs/dbraw/zinc/97/14/69/1186971469.db2.gz RWPLKASALFUILW-HKUYNNGSSA-N 1 0 389.544 0.915 20 30 GCEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CCN2CCN(c3ncccn3)CC2)cc1 ZINC000584048616 1186988395 /nfs/dbraw/zinc/98/83/95/1186988395.db2.gz ZFISIDRWOCZOGT-IBGZPJMESA-N 1 0 396.495 0.694 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000584044378 1186988973 /nfs/dbraw/zinc/98/89/73/1186988973.db2.gz WHMCKGKPHBOWCR-SFHVURJKSA-N 1 0 379.482 0.337 20 30 GCEDRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000329676349 1187000367 /nfs/dbraw/zinc/00/03/67/1187000367.db2.gz POLRSVLIZCAIKF-UHFFFAOYSA-N 1 0 379.505 0.541 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000262371997 1187002518 /nfs/dbraw/zinc/00/25/18/1187002518.db2.gz IUDCCAVGDVGEHY-IBGZPJMESA-N 1 0 397.589 0.450 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C[C@H]1c1ccccc1 ZINC001211620545 1187072967 /nfs/dbraw/zinc/07/29/67/1187072967.db2.gz SQSWBKXXAMWZHH-FTEYMNFISA-N 1 0 391.475 0.847 20 30 GCEDRO CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262594730 1187111898 /nfs/dbraw/zinc/11/18/98/1187111898.db2.gz WEXBFLVNRHWMGL-KRWDZBQOSA-N 1 0 395.548 0.386 20 30 GCEDRO 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C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364457210 1187443991 /nfs/dbraw/zinc/44/39/91/1187443991.db2.gz KGARBIJKOCCFFS-ZBFHGGJFSA-N 1 0 376.482 0.922 20 30 GCEDRO C[C@H](O)CN1CCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)C[C@H]1C ZINC000365068551 1187482523 /nfs/dbraw/zinc/48/25/23/1187482523.db2.gz JLBBDWSXLYZWHM-GJYPPUQNSA-N 1 0 384.480 0.963 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001024649783 1187558433 /nfs/dbraw/zinc/55/84/33/1187558433.db2.gz DONSCFIADBJLEU-TVFCKZIOSA-N 1 0 384.436 0.617 20 30 GCEDRO CCOCCC[NH+]=C(NCCNS(C)(=O)=O)NCc1ccc(OC)cc1 ZINC000066245199 1187621947 /nfs/dbraw/zinc/62/19/47/1187621947.db2.gz UKRFYMQITKCQHR-UHFFFAOYSA-N 1 0 386.518 0.706 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001024861586 1187653189 /nfs/dbraw/zinc/65/31/89/1187653189.db2.gz GOJAVEOYGMZNJU-TVFCKZIOSA-N 1 0 384.436 0.617 20 30 GCEDRO 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CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000249344569 1187822565 /nfs/dbraw/zinc/82/25/65/1187822565.db2.gz JLWIACOJGBQXGD-QZTJIDSGSA-N 1 0 379.549 0.456 20 30 GCEDRO C[NH+]1CCC(n2c(=O)c(=Cc3cccc4c3OCO4)sc2=C(C#N)C#N)CC1 ZINC000255902348 1187826779 /nfs/dbraw/zinc/82/67/79/1187826779.db2.gz QXDAVIWVEOFJPF-UHFFFAOYSA-N 1 0 394.456 0.932 20 30 GCEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892649812 1187878286 /nfs/dbraw/zinc/87/82/86/1187878286.db2.gz MWNRVYFBRJNJHL-KRWDZBQOSA-N 1 0 392.500 0.976 20 30 GCEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1sccc1C#N ZINC000293124884 1187914772 /nfs/dbraw/zinc/91/47/72/1187914772.db2.gz QNDSHQMGGLXKBF-ZDUSSCGKSA-N 1 0 377.470 0.617 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2C[C@H]2C(N)=O)C[C@H]1C ZINC001104686378 1187984306 /nfs/dbraw/zinc/98/43/06/1187984306.db2.gz FQNCHDVOQINPAC-VQHPVUNQSA-N 1 0 378.517 0.607 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001104699842 1188002360 /nfs/dbraw/zinc/00/23/60/1188002360.db2.gz NBMGUZZVPYKUGX-FPCVCCKLSA-N 1 0 378.473 0.204 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1=O ZINC000377476941 1188032920 /nfs/dbraw/zinc/03/29/20/1188032920.db2.gz KFBSVRUQZKJGCM-KRWDZBQOSA-N 1 0 398.463 0.992 20 30 GCEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415335694 1188051372 /nfs/dbraw/zinc/05/13/72/1188051372.db2.gz SHFZZHHZOUCWDJ-HNNXBMFYSA-N 1 0 399.451 0.176 20 30 GCEDRO Cc1ccc(C#N)cc1NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415338558 1188055338 /nfs/dbraw/zinc/05/53/38/1188055338.db2.gz YBJUVVWSNUXHNN-INIZCTEOSA-N 1 0 383.452 0.476 20 30 GCEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415389328 1188069341 /nfs/dbraw/zinc/06/93/41/1188069341.db2.gz FCORQAGWEVLVAU-ZDUSSCGKSA-N 1 0 386.843 1.404 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C1 ZINC000415431203 1188077775 /nfs/dbraw/zinc/07/77/75/1188077775.db2.gz GDCFGAHYQPGMJE-TZMCWYRMSA-N 1 0 384.415 1.407 20 30 GCEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000415466061 1188086680 /nfs/dbraw/zinc/08/66/80/1188086680.db2.gz QGHMFKZRGGAQAB-HNNXBMFYSA-N 1 0 389.456 0.902 20 30 GCEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000415531790 1188098886 /nfs/dbraw/zinc/09/88/86/1188098886.db2.gz VHYSDIQJZLDBSS-MAUKXSAKSA-N 1 0 397.479 0.912 20 30 GCEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415571462 1188110833 /nfs/dbraw/zinc/11/08/33/1188110833.db2.gz MPAXFCUHUDXVHS-YPMHNXCESA-N 1 0 386.843 1.532 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000415589959 1188115905 /nfs/dbraw/zinc/11/59/05/1188115905.db2.gz ZKOQNWKBSVWBTE-DUVNUKRYSA-N 1 0 396.426 1.407 20 30 GCEDRO N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCO[C@H](C[NH3+])C3)cc2)ccn1 ZINC000415603527 1188120843 /nfs/dbraw/zinc/12/08/43/1188120843.db2.gz LRJOKRHZIRSKPZ-QGZVFWFLSA-N 1 0 381.392 0.870 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000377762882 1188133612 /nfs/dbraw/zinc/13/36/12/1188133612.db2.gz FIOBIENAPAJTOI-MRXNPFEDSA-N 1 0 376.482 0.923 20 30 GCEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415703715 1188142577 /nfs/dbraw/zinc/14/25/77/1188142577.db2.gz FNCPTUWVVDSJCO-CQSZACIVSA-N 1 0 375.860 0.851 20 30 GCEDRO Cc1cccc(NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N ZINC000415698176 1188142586 /nfs/dbraw/zinc/14/25/86/1188142586.db2.gz XXZGXTMAKFEZLI-AWEZNQCLSA-N 1 0 383.374 0.758 20 30 GCEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000415702925 1188143841 /nfs/dbraw/zinc/14/38/41/1188143841.db2.gz DJMCCZMGPMTACR-INIZCTEOSA-N 1 0 385.468 0.790 20 30 GCEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1C#N ZINC000415712792 1188147328 /nfs/dbraw/zinc/14/73/28/1188147328.db2.gz RDEIHLVMJJKHQB-KRWDZBQOSA-N 1 0 385.468 0.790 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c(Cl)c1 ZINC000415764137 1188159681 /nfs/dbraw/zinc/15/96/81/1188159681.db2.gz JEEKLDVOGZQKTR-ZFWWWQNUSA-N 1 0 398.854 1.546 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)c(Cl)c1 ZINC000415764133 1188159776 /nfs/dbraw/zinc/15/97/76/1188159776.db2.gz JEEKLDVOGZQKTR-HIFRSBDPSA-N 1 0 398.854 1.546 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)n1 ZINC000415766890 1188160525 /nfs/dbraw/zinc/16/05/25/1188160525.db2.gz MIVSICZWQNIYAW-SWLSCSKDSA-N 1 0 382.399 1.032 20 30 GCEDRO O=C(NC[C@@H]1C[NH2+]CCCO1)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415839229 1189376332 /nfs/dbraw/zinc/37/63/32/1189376332.db2.gz RZQCHCNBPVZJME-IBGZPJMESA-N 1 0 378.432 0.915 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@@H]2C1 ZINC000377937281 1189378940 /nfs/dbraw/zinc/37/89/40/1189378940.db2.gz GDPJNALJORADCC-CZUORRHYSA-N 1 0 379.424 0.630 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C[NH3+] ZINC000415852522 1189382266 /nfs/dbraw/zinc/38/22/66/1189382266.db2.gz RBRZQERZHOFSEU-CHWSQXEVSA-N 1 0 384.415 1.265 20 30 GCEDRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000415848661 1189384325 /nfs/dbraw/zinc/38/43/25/1189384325.db2.gz DONWKVOMKPACQL-IBGZPJMESA-N 1 0 377.448 0.440 20 30 GCEDRO O=C(NCC#CCO)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC000923767948 1189402987 /nfs/dbraw/zinc/40/29/87/1189402987.db2.gz LOFOCWKAQZWKQW-UHFFFAOYSA-N 1 0 386.496 0.653 20 30 GCEDRO N#Cc1ccc(CS(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c(F)c1 ZINC000481052172 1189421122 /nfs/dbraw/zinc/42/11/22/1189421122.db2.gz OVHFPMLSNPRREW-UHFFFAOYSA-N 1 0 398.504 0.507 20 30 GCEDRO N#Cc1cccnc1NCCNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000728747902 1189508473 /nfs/dbraw/zinc/50/84/73/1189508473.db2.gz WDNNYYQARGDENE-UHFFFAOYSA-N 1 0 385.472 0.315 20 30 GCEDRO C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000417457732 1189667759 /nfs/dbraw/zinc/66/77/59/1189667759.db2.gz ISXSUIMXXPHJQE-UHFFFAOYSA-N 1 0 384.488 0.912 20 30 GCEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330242424 1189723265 /nfs/dbraw/zinc/72/32/65/1189723265.db2.gz CDUSDKDZQOGANP-QUCCMNQESA-N 1 0 376.501 0.800 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCCC(=O)N3CCOCC3)=[NH+]C[C@@H]2C1 ZINC000364358243 1189765561 /nfs/dbraw/zinc/76/55/61/1189765561.db2.gz KLSMMTTWYSZHOL-CQSZACIVSA-N 1 0 381.477 0.116 20 30 GCEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500318346 1189773620 /nfs/dbraw/zinc/77/36/20/1189773620.db2.gz TWYLAUCGJRNEOP-NDUQDZPOSA-N 1 0 399.561 0.811 20 30 GCEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000500318345 1189773780 /nfs/dbraw/zinc/77/37/80/1189773780.db2.gz TWYLAUCGJRNEOP-LPMVOBIJSA-N 1 0 399.561 0.811 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418392529 1189775292 /nfs/dbraw/zinc/77/52/92/1189775292.db2.gz ZMXOQJAYTVDCDH-HNNXBMFYSA-N 1 0 377.470 0.326 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418393342 1189776500 /nfs/dbraw/zinc/77/65/00/1189776500.db2.gz XPNFWGKPYKEIBU-UHFFFAOYSA-N 1 0 391.497 0.844 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418450509 1189790827 /nfs/dbraw/zinc/79/08/27/1189790827.db2.gz UPHGJJQBZLYMKM-MRXNPFEDSA-N 1 0 393.513 0.948 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418503219 1189806167 /nfs/dbraw/zinc/80/61/67/1189806167.db2.gz WXRUEPKPVQNFTL-HNNXBMFYSA-N 1 0 377.470 0.311 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418571500 1189987835 /nfs/dbraw/zinc/98/78/35/1189987835.db2.gz JTCPYUWBKCIXAX-HOCLYGCPSA-N 1 0 391.497 0.572 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000893434383 1190013815 /nfs/dbraw/zinc/01/38/15/1190013815.db2.gz SGZLFUCPHYBDPE-UHFFFAOYSA-N 1 0 397.545 0.188 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)NC(C)C)CC2)CC1 ZINC000664017757 1193755395 /nfs/dbraw/zinc/75/53/95/1193755395.db2.gz ZZRUEKUUIRRKQJ-UHFFFAOYSA-N 1 0 387.550 0.597 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261714155 1193761905 /nfs/dbraw/zinc/76/19/05/1193761905.db2.gz KGJKMQZNIFQIDD-XHSDSOJGSA-N 1 0 377.533 0.791 20 30 GCEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)CC1 ZINC000429895892 1193790619 /nfs/dbraw/zinc/79/06/19/1193790619.db2.gz NTNPXGODIQZBIJ-UHFFFAOYSA-N 1 0 384.415 1.376 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261776769 1193889769 /nfs/dbraw/zinc/88/97/69/1193889769.db2.gz ORYRCIBWSQYVEF-JXFKEZNVSA-N 1 0 387.484 0.914 20 30 GCEDRO C[NH+](C)CCNC(=O)C1CCN(S(=O)(=O)c2ccc(F)c(C#N)c2)CC1 ZINC000171423612 1193891899 /nfs/dbraw/zinc/89/18/99/1193891899.db2.gz ZCXVSOMIQBCENS-UHFFFAOYSA-N 1 0 382.461 0.776 20 30 GCEDRO CCc1nsc(N2CCN(C(NCc3ccc(C(N)=O)o3)=[NH+]C)CC2)n1 ZINC000261781859 1193902979 /nfs/dbraw/zinc/90/29/79/1193902979.db2.gz PKSRLHDYIKIEAL-UHFFFAOYSA-N 1 0 377.474 0.690 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261782596 1193903629 /nfs/dbraw/zinc/90/36/29/1193903629.db2.gz PLXISBGXXXPDPL-NHCUHLMSSA-N 1 0 399.495 0.706 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729342506 1193913261 /nfs/dbraw/zinc/91/32/61/1193913261.db2.gz SCBHHRQWQRRDQA-UHFFFAOYSA-N 1 0 391.497 0.809 20 30 GCEDRO CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261611387 1193921173 /nfs/dbraw/zinc/92/11/73/1193921173.db2.gz ACGYNLRKBDPOIW-UHFFFAOYSA-N 1 0 386.485 0.944 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612974 1193921818 /nfs/dbraw/zinc/92/18/18/1193921818.db2.gz AINYSGBCKGWECU-NXHRZFHOSA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261656473 1193922360 /nfs/dbraw/zinc/92/23/60/1193922360.db2.gz FOYKKZWZIWEODC-QGZVFWFLSA-N 1 0 383.500 0.997 20 30 GCEDRO C[NH+]=C(NCc1ccc(OC)c(OC)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261672015 1193922751 /nfs/dbraw/zinc/92/27/51/1193922751.db2.gz GVOPGSSRCMFSCA-UHFFFAOYSA-N 1 0 386.456 0.862 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261681381 1193923183 /nfs/dbraw/zinc/92/31/83/1193923183.db2.gz DDTCNZQBEMQORC-RDJZCZTQSA-N 1 0 386.504 0.921 20 30 GCEDRO CCc1nsc(N2CCN(C(NCc3nnc4n3CCC4)=[NH+]C)CC2)n1 ZINC000261726451 1193923955 /nfs/dbraw/zinc/92/39/55/1193923955.db2.gz IYJNWTMJZFXPNZ-UHFFFAOYSA-N 1 0 375.506 0.536 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261753609 1193924914 /nfs/dbraw/zinc/92/49/14/1193924914.db2.gz NOVLMXRGLJEERT-UHFFFAOYSA-N 1 0 380.399 0.214 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261804986 1193926790 /nfs/dbraw/zinc/92/67/90/1193926790.db2.gz SDGZMPDEKYUNGK-FQEVSTJZSA-N 1 0 382.468 0.478 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261805247 1193927145 /nfs/dbraw/zinc/92/71/45/1193927145.db2.gz RXXNTEAIVCCRJU-CQSZACIVSA-N 1 0 385.490 0.124 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261805243 1193927327 /nfs/dbraw/zinc/92/73/27/1193927327.db2.gz RXXNTEAIVCCRJU-AWEZNQCLSA-N 1 0 385.490 0.124 20 30 GCEDRO C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261823500 1193927714 /nfs/dbraw/zinc/92/77/14/1193927714.db2.gz UUIPRTCPSFBZLF-SFHVURJKSA-N 1 0 399.499 0.801 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261852036 1193928991 /nfs/dbraw/zinc/92/89/91/1193928991.db2.gz YDTLURXORLWYLB-QGZVFWFLSA-N 1 0 391.497 0.843 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CC[C@H](c3cnn(C)c3)C2)n1C ZINC000261936701 1193932392 /nfs/dbraw/zinc/93/23/92/1193932392.db2.gz CRHHIEACYDQACR-DOTOQJQBSA-N 1 0 386.504 0.971 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CC[C@@H](c3cnn(C)c3)C2)n1C ZINC000261936704 1193932542 /nfs/dbraw/zinc/93/25/42/1193932542.db2.gz CRHHIEACYDQACR-WBVHZDCISA-N 1 0 386.504 0.971 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[C@H](Oc2ccccn2)C1 ZINC000261950179 1193932913 /nfs/dbraw/zinc/93/29/13/1193932913.db2.gz HDGXZJUUAQQENG-CABCVRRESA-N 1 0 381.502 0.534 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C2CCCC2)N2CCN(c3cnn(C)c3)C(=O)C2)n1C ZINC000261956255 1193933479 /nfs/dbraw/zinc/93/34/79/1193933479.db2.gz IVMXVUSGTGYEEC-UHFFFAOYSA-N 1 0 399.503 0.594 20 30 GCEDRO C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000261970601 1193933814 /nfs/dbraw/zinc/93/38/14/1193933814.db2.gz MPCOTHGPWLMNGL-WMZOPIPTSA-N 1 0 375.521 0.506 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(OC)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261974473 1193934337 /nfs/dbraw/zinc/93/43/37/1193934337.db2.gz NKORQSGJIRBUMQ-UHFFFAOYSA-N 1 0 396.513 0.509 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261989509 1193935033 /nfs/dbraw/zinc/93/50/33/1193935033.db2.gz QXZFKCRKMGPUBQ-CQSZACIVSA-N 1 0 390.488 0.082 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262244889 1193942922 /nfs/dbraw/zinc/94/29/22/1193942922.db2.gz APWLWVQVHIQBFS-WBVHZDCISA-N 1 0 376.505 0.812 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCCO1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262244887 1193943091 /nfs/dbraw/zinc/94/30/91/1193943091.db2.gz APWLWVQVHIQBFS-NVXWUHKLSA-N 1 0 376.505 0.812 20 30 GCEDRO CC[C@@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262389123 1193946759 /nfs/dbraw/zinc/94/67/59/1193946759.db2.gz LTVFXPXSOKXWDR-CVEARBPZSA-N 1 0 394.545 0.777 20 30 GCEDRO C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@@H]1CN(C)CCO1 ZINC000262507628 1193949620 /nfs/dbraw/zinc/94/96/20/1193949620.db2.gz LNHGTLSOANIRSL-QGZVFWFLSA-N 1 0 379.480 0.658 20 30 GCEDRO C[NH+]=C(NCc1cccnc1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000262567037 1193951475 /nfs/dbraw/zinc/95/14/75/1193951475.db2.gz LVTQPDAGWJLXEE-UHFFFAOYSA-N 1 0 396.499 0.606 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(c2ncccn2)CC1 ZINC000262755777 1193955048 /nfs/dbraw/zinc/95/50/48/1193955048.db2.gz DHRQTZJGTAYNLW-MRXNPFEDSA-N 1 0 383.504 0.727 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(F)c1 ZINC000433885699 1193956922 /nfs/dbraw/zinc/95/69/22/1193956922.db2.gz PRUFNWVUXSYOFP-CYBMUJFWSA-N 1 0 375.404 0.339 20 30 GCEDRO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000263075745 1193961629 /nfs/dbraw/zinc/96/16/29/1193961629.db2.gz CKEXFKUOKSJNCC-HZPDHXFCSA-N 1 0 375.521 0.801 20 30 GCEDRO COc1ccc(CNC(=[NH2+])NC[C@@H]2CCn3ncc(C(N)=O)c3C2)cc1OC ZINC000279983587 1193971814 /nfs/dbraw/zinc/97/18/14/1193971814.db2.gz KZORPVKUJAYFSC-CYBMUJFWSA-N 1 0 386.456 0.666 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)CC2)nc1 ZINC000419618261 1194070228 /nfs/dbraw/zinc/07/02/28/1194070228.db2.gz WRUVSNCLULMQLQ-QUFRXWBVSA-N 1 0 397.479 0.955 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@H](C)C[NH2+]1 ZINC000419715058 1194091266 /nfs/dbraw/zinc/09/12/66/1194091266.db2.gz AAPMIKHWYRWIRM-QBBMROGASA-N 1 0 385.468 0.968 20 30 GCEDRO COCC1(C#N)CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000501339275 1194113899 /nfs/dbraw/zinc/11/38/99/1194113899.db2.gz YMMZJGWIUKWDPB-QGZVFWFLSA-N 1 0 392.500 0.478 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000419841799 1194119208 /nfs/dbraw/zinc/11/92/08/1194119208.db2.gz KVDGYAJZOLPFOX-KRWDZBQOSA-N 1 0 383.452 0.604 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000419841803 1194119370 /nfs/dbraw/zinc/11/93/70/1194119370.db2.gz KVDGYAJZOLPFOX-QGZVFWFLSA-N 1 0 383.452 0.604 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@]12C(=O)Nc1ccccc12 ZINC000419843055 1194119417 /nfs/dbraw/zinc/11/94/17/1194119417.db2.gz CPNASZOWCJDOOU-XCLFUZPHSA-N 1 0 381.436 0.117 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000419845185 1194119880 /nfs/dbraw/zinc/11/98/80/1194119880.db2.gz NETUVHRJAFJZDA-UHFFFAOYSA-N 1 0 397.479 0.994 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000419864518 1194126153 /nfs/dbraw/zinc/12/61/53/1194126153.db2.gz ABKFEMAGCYDHPG-OAHLLOKOSA-N 1 0 378.436 0.233 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419867003 1194126954 /nfs/dbraw/zinc/12/69/54/1194126954.db2.gz QIQCLHYVWXMWTG-KRWDZBQOSA-N 1 0 392.463 0.609 20 30 GCEDRO CC[NH2+]CCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419875868 1194129669 /nfs/dbraw/zinc/12/96/69/1194129669.db2.gz OWXZWIWLOUGJOQ-UHFFFAOYSA-N 1 0 380.452 0.481 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC3CCC([NH3+])CC3)CC2)cc1 ZINC000419876756 1194130084 /nfs/dbraw/zinc/13/00/84/1194130084.db2.gz PHTISLPAYBZHSC-UHFFFAOYSA-N 1 0 383.496 0.979 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000419962257 1194147790 /nfs/dbraw/zinc/14/77/90/1194147790.db2.gz UAAKGAACOWRWTE-MNVSYLFESA-N 1 0 383.452 0.348 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419964768 1194148305 /nfs/dbraw/zinc/14/83/05/1194148305.db2.gz GEIPJZZBOLJEIM-PKOBYXMFSA-N 1 0 383.496 0.729 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969290 1194149470 /nfs/dbraw/zinc/14/94/70/1194149470.db2.gz RQFVXSXXIUXYCY-HOCLYGCPSA-N 1 0 399.499 0.409 20 30 GCEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000419970593 1194149574 /nfs/dbraw/zinc/14/95/74/1194149574.db2.gz DZHKEKSUEKLFMV-HNNXBMFYSA-N 1 0 377.876 0.960 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000420009760 1194157104 /nfs/dbraw/zinc/15/71/04/1194157104.db2.gz DJDBKLOPVOBUDZ-OPBRUMHYSA-N 1 0 395.463 0.492 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420035856 1194159618 /nfs/dbraw/zinc/15/96/18/1194159618.db2.gz KLXKMWZKDBNHDK-ZDUSSCGKSA-N 1 0 398.423 0.308 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000420059318 1194164009 /nfs/dbraw/zinc/16/40/09/1194164009.db2.gz JMPZRQNQMJCQQV-QGZVFWFLSA-N 1 0 383.452 0.589 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000420039049 1194166043 /nfs/dbraw/zinc/16/60/43/1194166043.db2.gz NTNPBMAZHAGGGF-IAOVAPTHSA-N 1 0 386.452 0.687 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044468 1194167501 /nfs/dbraw/zinc/16/75/01/1194167501.db2.gz SZUMUHCNVWVLBJ-DOTOQJQBSA-N 1 0 399.495 0.826 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c(Cl)c1 ZINC000420071370 1194172209 /nfs/dbraw/zinc/17/22/09/1194172209.db2.gz XRZYQJVTPSHRKH-HNNXBMFYSA-N 1 0 375.860 0.714 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420086899 1194175539 /nfs/dbraw/zinc/17/55/39/1194175539.db2.gz ZSNLCIDVEYRCMR-RNODOKPDSA-N 1 0 383.452 0.492 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCC[NH2+]C1 ZINC000420098284 1194176742 /nfs/dbraw/zinc/17/67/42/1194176742.db2.gz JIZIAKSMNCUZAC-PUCZYUMASA-N 1 0 395.463 0.364 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CCC[NH2+]C1 ZINC000420098288 1194176959 /nfs/dbraw/zinc/17/69/59/1194176959.db2.gz JIZIAKSMNCUZAC-SZFUDVHCSA-N 1 0 395.463 0.364 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000420104793 1194178954 /nfs/dbraw/zinc/17/89/54/1194178954.db2.gz TWMVKOCHXCQKRX-IOASZLSFSA-N 1 0 378.379 0.277 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCO1 ZINC000420104794 1194178981 /nfs/dbraw/zinc/17/89/81/1194178981.db2.gz TWMVKOCHXCQKRX-WWGRRREGSA-N 1 0 378.379 0.277 20 30 GCEDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420153218 1194194567 /nfs/dbraw/zinc/19/45/67/1194194567.db2.gz COIXSOZJAKDDFR-KDOFPFPSSA-N 1 0 397.479 0.992 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000420173179 1194201147 /nfs/dbraw/zinc/20/11/47/1194201147.db2.gz WWFQSKQSSZAHAS-MRXNPFEDSA-N 1 0 384.484 0.496 20 30 GCEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2ncccc2C#N)CC1 ZINC000420173178 1194201470 /nfs/dbraw/zinc/20/14/70/1194201470.db2.gz WWFQSKQSSZAHAS-INIZCTEOSA-N 1 0 384.484 0.496 20 30 GCEDRO C[NH+]=C(NCc1cccc2c1OCO2)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261816323 1194205362 /nfs/dbraw/zinc/20/53/62/1194205362.db2.gz TYSBRFIUEGAGJB-IBGZPJMESA-N 1 0 387.440 0.801 20 30 GCEDRO C[NH+]=C(NCc1cccc2c1OCO2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261816329 1194205364 /nfs/dbraw/zinc/20/53/64/1194205364.db2.gz TYSBRFIUEGAGJB-LJQANCHMSA-N 1 0 387.440 0.801 20 30 GCEDRO N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CCO2)c1 ZINC000420206485 1194205607 /nfs/dbraw/zinc/20/56/07/1194205607.db2.gz KCZMLMLAHABFCI-MANSERQUSA-N 1 0 382.464 0.962 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1=O ZINC000501624378 1194210680 /nfs/dbraw/zinc/21/06/80/1194210680.db2.gz NSMLVOOWWFPVKN-DLBZAZTESA-N 1 0 376.501 0.612 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420212432 1194213450 /nfs/dbraw/zinc/21/34/50/1194213450.db2.gz PALCDGJJCMYQMX-ARFHVFGLSA-N 1 0 399.470 0.850 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c(C#N)cn1CC ZINC000421185077 1194303480 /nfs/dbraw/zinc/30/34/80/1194303480.db2.gz YSZLMIZHVORCIA-GFCCVEGCSA-N 1 0 377.445 0.951 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c(C#N)cn1CC ZINC000421232226 1194312899 /nfs/dbraw/zinc/31/28/99/1194312899.db2.gz YWOMUONDKYPHMA-GXTWGEPZSA-N 1 0 387.440 0.657 20 30 GCEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261844715 1194348455 /nfs/dbraw/zinc/34/84/55/1194348455.db2.gz WSUJYPVXZUHWTO-SFHVURJKSA-N 1 0 383.500 0.997 20 30 GCEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261853177 1194390505 /nfs/dbraw/zinc/39/05/05/1194390505.db2.gz YFYZGVQISUKQDH-GOSISDBHSA-N 1 0 375.477 0.422 20 30 GCEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422323930 1194614317 /nfs/dbraw/zinc/61/43/17/1194614317.db2.gz VAOGBBDBPORDQD-KRWDZBQOSA-N 1 0 380.533 0.760 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000422392349 1194634360 /nfs/dbraw/zinc/63/43/60/1194634360.db2.gz YFQIAULHPYXIHZ-ROUUACIJSA-N 1 0 397.479 0.722 20 30 GCEDRO CON1CCC(NC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)CC1 ZINC000422637229 1194680268 /nfs/dbraw/zinc/68/02/68/1194680268.db2.gz XULJTZKSXKLRJF-UHFFFAOYSA-N 1 0 387.484 0.590 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H]1C[NH3+] ZINC000423009862 1194717104 /nfs/dbraw/zinc/71/71/04/1194717104.db2.gz FFENEIGAHCISFG-LPHOPBHVSA-N 1 0 383.496 0.646 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000423013428 1194717425 /nfs/dbraw/zinc/71/74/25/1194717425.db2.gz MSFONMYHHCQTCH-INIZCTEOSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423016520 1194717841 /nfs/dbraw/zinc/71/78/41/1194717841.db2.gz TXLHMFCQDYZTRE-RTBURBONSA-N 1 0 381.480 0.270 20 30 GCEDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423038758 1194720689 /nfs/dbraw/zinc/72/06/89/1194720689.db2.gz OYNHUIFZQJHCHI-NRFANRHFSA-N 1 0 383.496 0.790 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423037918 1194720907 /nfs/dbraw/zinc/72/09/07/1194720907.db2.gz NNKQAOUZELTNPD-WOJBJXKFSA-N 1 0 395.507 0.803 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC2)nc1 ZINC000423074483 1194724787 /nfs/dbraw/zinc/72/47/87/1194724787.db2.gz UURFAMBNGZSHGB-UHFFFAOYSA-N 1 0 396.495 0.592 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423118711 1194728449 /nfs/dbraw/zinc/72/84/49/1194728449.db2.gz BZUXQPJZTUQJOM-GFCCVEGCSA-N 1 0 384.396 0.014 20 30 GCEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423129018 1194729601 /nfs/dbraw/zinc/72/96/01/1194729601.db2.gz WJRZKAXDJWQYLY-LJQANCHMSA-N 1 0 398.507 0.872 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[NH2+]1 ZINC000423129322 1194729750 /nfs/dbraw/zinc/72/97/50/1194729750.db2.gz QZPTWDMIOUXGLA-ZDUSSCGKSA-N 1 0 398.423 0.275 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000423146198 1194730815 /nfs/dbraw/zinc/73/08/15/1194730815.db2.gz OMVPSGQINDOTRD-OAHLLOKOSA-N 1 0 387.459 0.933 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@@]1(C)C[NH3+] ZINC000423145732 1194730819 /nfs/dbraw/zinc/73/08/19/1194730819.db2.gz MEJPOSFNNHCPFL-JLTOFOAXSA-N 1 0 387.459 0.789 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423317364 1194747045 /nfs/dbraw/zinc/74/70/45/1194747045.db2.gz ATQPUGSUQCNEHN-GUDVDZBRSA-N 1 0 381.480 0.291 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@H]1C[NH3+] ZINC000423321299 1194747453 /nfs/dbraw/zinc/74/74/53/1194747453.db2.gz FKSARVYENCYELN-BHIYHBOVSA-N 1 0 383.496 0.666 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@H]1C[NH3+] ZINC000423321302 1194747491 /nfs/dbraw/zinc/74/74/91/1194747491.db2.gz FKSARVYENCYELN-QRQLOZEOSA-N 1 0 383.496 0.666 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000423510010 1194762032 /nfs/dbraw/zinc/76/20/32/1194762032.db2.gz RWBONMRRIWYHJK-AWEZNQCLSA-N 1 0 391.859 0.046 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423527042 1194763390 /nfs/dbraw/zinc/76/33/90/1194763390.db2.gz LYJXMJRGPBKCGQ-XUVXKRRUSA-N 1 0 395.507 0.791 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)C2)cc1 ZINC000423560790 1194764169 /nfs/dbraw/zinc/76/41/69/1194764169.db2.gz LOUGQNKBAOHELT-MOPGFXCFSA-N 1 0 398.463 0.503 20 30 GCEDRO N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000423562087 1194764330 /nfs/dbraw/zinc/76/43/30/1194764330.db2.gz QDWRTYZMZZMIPX-HXUWFJFHSA-N 1 0 393.491 0.680 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@@H]1C[NH3+] ZINC000423556357 1194766629 /nfs/dbraw/zinc/76/66/29/1194766629.db2.gz GVMGJZGSAKYMNX-FEGUVQJSSA-N 1 0 395.463 0.302 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@@]1(C)C[NH3+] ZINC000423572004 1194768450 /nfs/dbraw/zinc/76/84/50/1194768450.db2.gz WOSCGHJFFZTWGE-LXPSQPKGSA-N 1 0 395.463 0.302 20 30 GCEDRO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1(C)C ZINC000423578813 1194769841 /nfs/dbraw/zinc/76/98/41/1194769841.db2.gz MPKNGZSTLMQIJX-HZPDHXFCSA-N 1 0 378.517 0.893 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CCC[C@H]3C[NH3+])CC2)c1 ZINC000423641127 1194777016 /nfs/dbraw/zinc/77/70/16/1194777016.db2.gz HDZQCTBSCJDZIG-KRWDZBQOSA-N 1 0 383.452 0.685 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423627478 1194778673 /nfs/dbraw/zinc/77/86/73/1194778673.db2.gz IHPJFNKRQCXABS-KSZLIROESA-N 1 0 397.479 0.066 20 30 GCEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)nc1 ZINC000423655772 1194779882 /nfs/dbraw/zinc/77/98/82/1194779882.db2.gz BYNYUQGPNNAJIP-ZWKOTPCHSA-N 1 0 397.479 0.924 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)CC1 ZINC000423662559 1194781315 /nfs/dbraw/zinc/78/13/15/1194781315.db2.gz MXXJONQBSIHTOW-UHFFFAOYSA-N 1 0 390.513 0.430 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]12C(=O)Nc1ccccc12 ZINC000423678676 1194785076 /nfs/dbraw/zinc/78/50/76/1194785076.db2.gz DFFNCGDQFYCWTG-VKQVCWQJSA-N 1 0 393.447 0.211 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@H]1C[NH3+] ZINC000423721785 1194789165 /nfs/dbraw/zinc/78/91/65/1194789165.db2.gz FGCJTYUAZCQYGV-KDOFPFPSSA-N 1 0 387.459 0.932 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@H](C)[NH3+])C3)CC2)c1C#N ZINC000423725050 1194789444 /nfs/dbraw/zinc/78/94/44/1194789444.db2.gz HHSNQEUIATWYEZ-JSGCOSHPSA-N 1 0 390.513 0.558 20 30 GCEDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@H]1C[NH3+] ZINC000423727463 1194789940 /nfs/dbraw/zinc/78/99/40/1194789940.db2.gz JBPCCJRHTCRLMX-KSSFIOAISA-N 1 0 387.459 0.932 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@H](C)C3)CC2)c1C#N ZINC000423730112 1194790275 /nfs/dbraw/zinc/79/02/75/1194790275.db2.gz KVIWNJDZKGTLDJ-BXUZGUMPSA-N 1 0 376.486 0.168 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@@H]3C[NH3+])CC2)c1C#N ZINC000423743106 1194790712 /nfs/dbraw/zinc/79/07/12/1194790712.db2.gz VHTYGMXIIIQBRY-DOMZBBRYSA-N 1 0 390.513 0.558 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000424104209 1194801964 /nfs/dbraw/zinc/80/19/64/1194801964.db2.gz SCXDBBIEJOGWGI-CQSZACIVSA-N 1 0 390.469 0.417 20 30 GCEDRO Cc1nn(C)c(N2CCN(C(=O)C(=O)Nc3cc(C)cc(C[NH3+])c3)CC2)c1C#N ZINC000424462341 1194813692 /nfs/dbraw/zinc/81/36/92/1194813692.db2.gz FMECRTYXQRGULB-UHFFFAOYSA-N 1 0 395.467 0.655 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1 ZINC000424550745 1194824021 /nfs/dbraw/zinc/82/40/21/1194824021.db2.gz UFUCPDJRLUKWNL-ZWKOTPCHSA-N 1 0 398.467 0.351 20 30 GCEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000514228544 1194858314 /nfs/dbraw/zinc/85/83/14/1194858314.db2.gz GPGHXNFZAJAKNI-OLZOCXBDSA-N 1 0 377.445 0.681 20 30 GCEDRO C[NH+](C)CCn1cc(NC(=O)c2n[nH]c3c2CN(C(=O)CCS)C3)cn1 ZINC001269873669 1194875015 /nfs/dbraw/zinc/87/50/15/1194875015.db2.gz OAZGVQPWVRLQAU-UHFFFAOYSA-N 1 0 377.474 0.582 20 30 GCEDRO C[C@@H]1c2ncc(CC(=O)NC3CC[NH+](C)CC3)n2CCN1C(=O)CCS ZINC001269879395 1194876951 /nfs/dbraw/zinc/87/69/51/1194876951.db2.gz OVNADZXOZMZHNG-CYBMUJFWSA-N 1 0 379.530 0.859 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1=O ZINC000425312882 1194907202 /nfs/dbraw/zinc/90/72/02/1194907202.db2.gz HOCQFJPLNWQZGC-QGZVFWFLSA-N 1 0 387.484 0.533 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000515402562 1194972693 /nfs/dbraw/zinc/97/26/93/1194972693.db2.gz CHNNBNMBDJWVSB-OAHLLOKOSA-N 1 0 391.497 0.574 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000515537284 1194982143 /nfs/dbraw/zinc/98/21/43/1194982143.db2.gz YEFZIRYWXDLHHJ-QZTJIDSGSA-N 1 0 399.495 0.479 20 30 GCEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000516467584 1195057059 /nfs/dbraw/zinc/05/70/59/1195057059.db2.gz GERFUVUHYYAAJY-QGZVFWFLSA-N 1 0 390.461 0.854 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000437278229 1195091047 /nfs/dbraw/zinc/09/10/47/1195091047.db2.gz SGPDKRODDSEGBM-MRXNPFEDSA-N 1 0 395.467 1.186 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000516778804 1195094509 /nfs/dbraw/zinc/09/45/09/1195094509.db2.gz WCZJXQQVPVZEPI-UHFFFAOYSA-N 1 0 387.459 0.933 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)nn1 ZINC000425796075 1195099553 /nfs/dbraw/zinc/09/95/53/1195099553.db2.gz NIHQGOAVBBADBG-UHFFFAOYSA-N 1 0 399.455 0.609 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)nn1 ZINC000425794118 1195100559 /nfs/dbraw/zinc/10/05/59/1195100559.db2.gz ADEMENOCXHAHPL-UHFFFAOYSA-N 1 0 397.483 0.466 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)nn1 ZINC000425794492 1195100799 /nfs/dbraw/zinc/10/07/99/1195100799.db2.gz BJIARYDTMHRWHG-UHFFFAOYSA-N 1 0 386.456 0.968 20 30 GCEDRO CC(C)[NH+](CCNC(=O)C1CCN(C(=O)Cn2cnc(C#N)n2)CC1)C(C)C ZINC000516835840 1195102748 /nfs/dbraw/zinc/10/27/48/1195102748.db2.gz WHSUPXFXCGEQSN-UHFFFAOYSA-N 1 0 389.504 0.623 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)[C@@H]2C1 ZINC000425819889 1195119538 /nfs/dbraw/zinc/11/95/38/1195119538.db2.gz MSSBYPZKVMDQDB-WMLDXEAASA-N 1 0 396.426 1.374 20 30 GCEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000425877035 1195144111 /nfs/dbraw/zinc/14/41/11/1195144111.db2.gz GZJLDUOYSMSUNN-MAUKXSAKSA-N 1 0 399.495 0.781 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000425900440 1195158522 /nfs/dbraw/zinc/15/85/22/1195158522.db2.gz QQPDHNNUVXASNZ-BQFCYCMXSA-N 1 0 378.517 0.321 20 30 GCEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000473583228 1195162106 /nfs/dbraw/zinc/16/21/06/1195162106.db2.gz QDXHNICVZIBXJP-QZTJIDSGSA-N 1 0 397.479 0.505 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2ccc3c(c2)OCO3)c1C#N ZINC000517502586 1195187317 /nfs/dbraw/zinc/18/73/17/1195187317.db2.gz DPNOLLHFTGBWCT-UHFFFAOYSA-N 1 0 384.396 0.531 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCN2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1C#N ZINC000517502867 1195187401 /nfs/dbraw/zinc/18/74/01/1195187401.db2.gz PHTADRSNILOMBG-STQMWFEESA-N 1 0 386.456 0.937 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000517688013 1195205622 /nfs/dbraw/zinc/20/56/22/1195205622.db2.gz JAMLIWBROSETFD-GOSISDBHSA-N 1 0 378.517 0.466 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)n(-c2ncccn2)n1 ZINC000438741525 1195244426 /nfs/dbraw/zinc/24/44/26/1195244426.db2.gz RVCNWPPIVBGYBB-UHFFFAOYSA-N 1 0 384.444 0.603 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(CS(C)(=O)=O)cc1 ZINC000438757303 1195245888 /nfs/dbraw/zinc/24/58/88/1195245888.db2.gz SACJOQCGYHGQAD-UHFFFAOYSA-N 1 0 394.497 0.864 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000438750687 1195246334 /nfs/dbraw/zinc/24/63/34/1195246334.db2.gz AJGXMQUHYOBYKR-UHFFFAOYSA-N 1 0 381.458 0.118 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1CS(C)(=O)=O ZINC000438766200 1195248115 /nfs/dbraw/zinc/24/81/15/1195248115.db2.gz WGVIIKHXRXGPNQ-UHFFFAOYSA-N 1 0 394.497 0.864 20 30 GCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000518350587 1195281417 /nfs/dbraw/zinc/28/14/17/1195281417.db2.gz QJMKTGYJKASUMZ-CQSZACIVSA-N 1 0 389.504 0.095 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000518421961 1195289713 /nfs/dbraw/zinc/28/97/13/1195289713.db2.gz YOCHRVNXIQTGHH-IBGZPJMESA-N 1 0 392.544 0.856 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261971623 1195291268 /nfs/dbraw/zinc/29/12/68/1195291268.db2.gz MWCBHKAHGNAMBY-QFBILLFUSA-N 1 0 397.589 0.448 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C2CC2)N2CCN(C(=O)[C@H]3CCCO3)CC2)n1C ZINC000261985831 1195299950 /nfs/dbraw/zinc/29/99/50/1195299950.db2.gz QAURBZOHZZELGK-OAHLLOKOSA-N 1 0 375.477 0.055 20 30 GCEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000439344041 1195310296 /nfs/dbraw/zinc/31/02/96/1195310296.db2.gz JMNXYIUPPWRKHW-CYBMUJFWSA-N 1 0 384.415 1.374 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439348290 1195310872 /nfs/dbraw/zinc/31/08/72/1195310872.db2.gz KYSPDBBDHKSXTD-CQSZACIVSA-N 1 0 381.440 0.939 20 30 GCEDRO C[NH+]=C(NCCN1CCSCC1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261996454 1195332491 /nfs/dbraw/zinc/33/24/91/1195332491.db2.gz SOCXSNRUJLQLST-KRWDZBQOSA-N 1 0 396.605 0.239 20 30 GCEDRO [NH2+]=C(NC[C@@]1(N2CCOCC2)CCSC1)N1CCN(c2ncccn2)CC1 ZINC000262002092 1195352598 /nfs/dbraw/zinc/35/25/98/1195352598.db2.gz QDMNNRHBFRADNC-SFHVURJKSA-N 1 0 391.545 0.121 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C)C[C@@H]2C)cc1 ZINC000440278110 1195400517 /nfs/dbraw/zinc/40/05/17/1195400517.db2.gz CYHHHUKVTVRKHQ-AWEZNQCLSA-N 1 0 394.497 0.594 20 30 GCEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000440364816 1195411260 /nfs/dbraw/zinc/41/12/60/1195411260.db2.gz MEFJRGPFBNUAAG-HIFRSBDPSA-N 1 0 396.426 1.517 20 30 GCEDRO 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SIWDSCHNFOSLIY-QFBILLFUSA-N 1 0 397.589 0.712 20 30 GCEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262823592 1197168142 /nfs/dbraw/zinc/16/81/42/1197168142.db2.gz YYPJRSWNRHDZTB-GOSISDBHSA-N 1 0 393.532 0.534 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NC(C)(C)C ZINC000263276718 1197257471 /nfs/dbraw/zinc/25/74/71/1197257471.db2.gz YSHKAYRTLDMOGD-UHFFFAOYSA-N 1 0 382.534 0.497 20 30 GCEDRO N#Cc1ccc(N2CC[C@H](N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2=O)cc1 ZINC000103150733 1197264992 /nfs/dbraw/zinc/26/49/92/1197264992.db2.gz SCSVFDMCDRISND-IBGZPJMESA-N 1 0 381.480 0.904 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)NC(C)(C)C2=O)[C@@H]1C ZINC001088576179 1197387408 /nfs/dbraw/zinc/38/74/08/1197387408.db2.gz BGQMWZKQISHXSI-WCVJEAGWSA-N 1 0 392.500 0.877 20 30 GCEDRO COCCOC1CC[NH+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)CC1 ZINC000533297343 1197444063 /nfs/dbraw/zinc/44/40/63/1197444063.db2.gz HHKNLJDIDZVJLX-UHFFFAOYSA-N 1 0 391.472 0.631 20 30 GCEDRO 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N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000555025677 1199477113 /nfs/dbraw/zinc/47/71/13/1199477113.db2.gz SHECBPRRJGZKQY-INIZCTEOSA-N 1 0 376.482 0.923 20 30 GCEDRO CC(=O)NC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000067413408 1199519158 /nfs/dbraw/zinc/51/91/58/1199519158.db2.gz HYZQWMYHMXMFKL-MRXNPFEDSA-N 1 0 388.472 0.351 20 30 GCEDRO CC(C)[N@@H+]1CCO[C@H](CN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000115542598 1199522217 /nfs/dbraw/zinc/52/22/17/1199522217.db2.gz LQQZSFNISVKSBU-UXHICEINSA-N 1 0 385.512 0.811 20 30 GCEDRO CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000543188806 1199571509 /nfs/dbraw/zinc/57/15/09/1199571509.db2.gz XWWPKNTYLYEVIH-CYBMUJFWSA-N 1 0 377.445 0.777 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000673513766 1199728419 /nfs/dbraw/zinc/72/84/19/1199728419.db2.gz FOOPMKQLJNIPNI-JKSUJKDBSA-N 1 0 379.482 0.432 20 30 GCEDRO 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ZINC000155903806 1199877050 /nfs/dbraw/zinc/87/70/50/1199877050.db2.gz BYSGPDPCCXWTNK-UHFFFAOYSA-N 1 0 398.471 0.507 20 30 GCEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073775984 1199894142 /nfs/dbraw/zinc/89/41/42/1199894142.db2.gz ILAYRFWEBHTDHS-CQSZACIVSA-N 1 0 375.477 0.013 20 30 GCEDRO CC(C)[NH+](CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)C ZINC000284024396 1199912255 /nfs/dbraw/zinc/91/22/55/1199912255.db2.gz MSNVWJWGIROXFF-UHFFFAOYSA-N 1 0 386.500 0.837 20 30 GCEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@H]1O ZINC000509141357 1199941577 /nfs/dbraw/zinc/94/15/77/1199941577.db2.gz UVGGSPWYALEGAX-UKRRQHHQSA-N 1 0 385.424 0.767 20 30 GCEDRO C[C@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O ZINC000509141359 1199941768 /nfs/dbraw/zinc/94/17/68/1199941768.db2.gz UVGGSPWYALEGAX-ZFWWWQNUSA-N 1 0 385.424 0.767 20 30 GCEDRO CC[N@H+](CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 ZINC000029913502 1199981295 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/nfs/dbraw/zinc/53/92/86/1205539286.db2.gz KWSYRYSAWSHUNR-FZKCQIBNSA-N 1 0 393.488 0.511 20 30 GCEDRO C#CCC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2CCO[C@H]2C(=C)C)[nH]1 ZINC001130242247 1205539569 /nfs/dbraw/zinc/53/95/69/1205539569.db2.gz OBHCPZHZMMCZJF-OVWQWFNUSA-N 1 0 387.484 0.888 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C)[C@@H]1CCCO1 ZINC000806225932 1205552284 /nfs/dbraw/zinc/55/22/84/1205552284.db2.gz XXXBCLYWCLPKSK-FJIDUMEYSA-N 1 0 379.501 0.537 20 30 GCEDRO CC#CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 ZINC001130632848 1205557157 /nfs/dbraw/zinc/55/71/57/1205557157.db2.gz TXGYFNKCIBIYHT-ATLSCFEFSA-N 1 0 387.484 0.141 20 30 GCEDRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]34)C[C@H]2[NH2+]CC(=O)NCC#N)c1 ZINC001130635050 1205557419 /nfs/dbraw/zinc/55/74/19/1205557419.db2.gz GTKFNAJYGQRCFG-YUAHOQAQSA-N 1 0 398.511 0.770 20 30 GCEDRO C=CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1cn(C)cn1 ZINC001130671994 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ZINC001130805383 1205571658 /nfs/dbraw/zinc/57/16/58/1205571658.db2.gz ZBABBDXQIUWUJZ-CBBWQLFWSA-N 1 0 388.472 0.156 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1 ZINC001130806497 1205572076 /nfs/dbraw/zinc/57/20/76/1205572076.db2.gz CRRCOMFJOXVQDL-LJISPDSOSA-N 1 0 379.461 0.204 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCCO)O2)n[nH]1 ZINC001130812799 1205573244 /nfs/dbraw/zinc/57/32/44/1205573244.db2.gz ARUXHVWGFPHIPE-MPTYRVRUSA-N 1 0 393.488 0.594 20 30 GCEDRO CC(C)(C)OC(=O)N1C[C@@H](C#N)[C@@H](NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)C1 ZINC000807110502 1205575644 /nfs/dbraw/zinc/57/56/44/1205575644.db2.gz UVWJSPDHTLGBMS-CABCVRRESA-N 1 0 395.504 0.844 20 30 GCEDRO Cn1cncc1[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1[NH2+]CC(=O)NCC#N ZINC001130995836 1205585293 /nfs/dbraw/zinc/58/52/93/1205585293.db2.gz MRLAMTAHXXMAPC-CWQOZTLDSA-N 1 0 396.495 0.546 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2CC(C)C)C[C@H]1c1cncn1C ZINC001131073961 1205593639 /nfs/dbraw/zinc/59/36/39/1205593639.db2.gz RJYHTBLLYJFCKT-BRSBDYLESA-N 1 0 385.512 0.736 20 30 GCEDRO COc1ccc(CNC(=O)C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)cc1C#N ZINC000807927167 1205594482 /nfs/dbraw/zinc/59/44/82/1205594482.db2.gz UZBSXQSCSDIWIK-HNNXBMFYSA-N 1 0 388.468 0.800 20 30 GCEDRO C[NH+](C)CCN1c2ccccc2C(=NNc2ccc(S(N)(=O)=O)cn2)C1=O ZINC000807962967 1205595042 /nfs/dbraw/zinc/59/50/42/1205595042.db2.gz SFXYUGUPJFOHSK-UHFFFAOYSA-N 1 0 388.453 0.453 20 30 GCEDRO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)ccc1F ZINC000808157895 1205600838 /nfs/dbraw/zinc/60/08/38/1205600838.db2.gz RACTYSHUFHJGTH-GJZGRUSLSA-N 1 0 397.472 0.571 20 30 GCEDRO N#Cc1ccc(F)c(CNC(=O)C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000808342361 1205605817 /nfs/dbraw/zinc/60/58/17/1205605817.db2.gz UPFMJXXYZBHCFZ-QZTJIDSGSA-N 1 0 388.443 0.808 20 30 GCEDRO C=C(C)CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001131561738 1205618169 /nfs/dbraw/zinc/61/81/69/1205618169.db2.gz BLZPNKLVJJDTMI-XDNAFOTISA-N 1 0 379.501 0.971 20 30 GCEDRO COCC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2CC[C@@H](C(N)=O)C2)CC1 ZINC001131564339 1205618426 /nfs/dbraw/zinc/61/84/26/1205618426.db2.gz IIPHGAZZURKADP-HCXYKTFWSA-N 1 0 391.512 0.524 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1CCCO1 ZINC000809306439 1205621513 /nfs/dbraw/zinc/62/15/13/1205621513.db2.gz QQMXWLPSTYPUAN-MSOLQXFVSA-N 1 0 377.485 0.387 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N1CCC(CCC[N@@H+](C)CCOC)CC1)[C@H]1CCCO1 ZINC000809312210 1205622275 /nfs/dbraw/zinc/62/22/75/1205622275.db2.gz YLDXOIUYBIBUGB-RBUKOAKNSA-N 1 0 393.528 0.880 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[C@H]1CCCO1 ZINC000809312465 1205622611 /nfs/dbraw/zinc/62/26/11/1205622611.db2.gz MQXLYSDFMXKODG-ZGXWSNOMSA-N 1 0 381.476 0.874 20 30 GCEDRO COc1ccc(CNC(=O)C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C#N ZINC000809504075 1205626459 /nfs/dbraw/zinc/62/64/59/1205626459.db2.gz OUZYJBBXTPBCAV-GOSISDBHSA-N 1 0 399.495 0.421 20 30 GCEDRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2 ZINC000810225563 1205635186 /nfs/dbraw/zinc/63/51/86/1205635186.db2.gz HLIOWMAGDWHWEH-BQASMSSTSA-N 1 0 390.465 0.827 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1 ZINC000812323427 1205663689 /nfs/dbraw/zinc/66/36/89/1205663689.db2.gz IPRLCIZWXJEBRM-KGLIPLIRSA-N 1 0 376.482 0.525 20 30 GCEDRO C[C@H](CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000812345355 1205664266 /nfs/dbraw/zinc/66/42/66/1205664266.db2.gz YEBYOCNRJWZVGX-QLFBSQMISA-N 1 0 390.509 0.914 20 30 GCEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC[C@@H](C(=O)OCC)C2)CC1 ZINC000747818631 1205668468 /nfs/dbraw/zinc/66/84/68/1205668468.db2.gz XKVXJTOFDNAYRZ-NVXWUHKLSA-N 1 0 377.485 0.638 20 30 GCEDRO N#Cc1cc(S(N)(=O)=O)ccc1NCC(=O)NCC[NH+]1CCCCCC1 ZINC000814261841 1205689068 /nfs/dbraw/zinc/68/90/68/1205689068.db2.gz HOWHUMXTEVCKDU-UHFFFAOYSA-N 1 0 379.486 0.610 20 30 GCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1CN(C(=O)OCc2ccccc2)C1 ZINC000815082311 1205697897 /nfs/dbraw/zinc/69/78/97/1205697897.db2.gz KDUGPRNHXHREKL-UHFFFAOYSA-N 1 0 379.482 0.882 20 30 GCEDRO C[C@@H](Cc1ccc(C#N)cc1)[NH2+][C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001172308725 1205715682 /nfs/dbraw/zinc/71/56/82/1205715682.db2.gz MLJJPVGLQJZSKI-YSSFQJQWSA-N 1 0 394.475 0.653 20 30 GCEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCOCCN2C(=O)C=CC2=O)C[C@H]1C#N ZINC001172981259 1205718164 /nfs/dbraw/zinc/71/81/64/1205718164.db2.gz LCEZKBKXYOPEMK-GJZGRUSLSA-N 1 0 392.456 0.809 20 30 GCEDRO COC(=O)[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)[C@H](C#N)C1 ZINC001172983045 1205718267 /nfs/dbraw/zinc/71/82/67/1205718267.db2.gz HNOMQLAVDDIFBT-FQUUOJAGSA-N 1 0 382.461 0.934 20 30 GCEDRO COC(=O)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccc(C#N)cc2)CC1 ZINC001173434253 1205720855 /nfs/dbraw/zinc/72/08/55/1205720855.db2.gz HDNMRLVNVYCDAA-SFHVURJKSA-N 1 0 398.463 0.916 20 30 GCEDRO CCC[N@H+]1C[C@H]2CN(C(=O)C(=NOCC(=O)OCC)c3ccn[nH]3)C[C@H]2C1 ZINC001177263009 1205765421 /nfs/dbraw/zinc/76/54/21/1205765421.db2.gz JYXGVSGTZIKSBU-NGEHXLIGSA-N 1 0 377.445 0.494 20 30 GCEDRO CCC[NH+]1C[C@@H]2CN(C(=O)C(=NOCC(=O)OCC)c3ccn[nH]3)C[C@H]2C1 ZINC001177263007 1205765563 /nfs/dbraw/zinc/76/55/63/1205765563.db2.gz JYXGVSGTZIKSBU-ATODVUISSA-N 1 0 377.445 0.494 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)NC1CC[NH+](CCCOC)CC1)c1cc[nH]n1 ZINC001177263998 1205765832 /nfs/dbraw/zinc/76/58/32/1205765832.db2.gz MUNSDHXCNPVYGL-XLNRJJMWSA-N 1 0 395.460 0.311 20 30 GCEDRO CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)Cn2cnc(C#N)n2)CC1 ZINC001177588502 1205772556 /nfs/dbraw/zinc/77/25/56/1205772556.db2.gz ZHALMPBOUPBCDK-UHFFFAOYSA-N 1 0 377.449 0.255 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000773787522 1205797175 /nfs/dbraw/zinc/79/71/75/1205797175.db2.gz IBCAQZIZOKDCTF-SJORKVTESA-N 1 0 386.452 0.812 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CCCO1 ZINC000773799197 1205801996 /nfs/dbraw/zinc/80/19/96/1205801996.db2.gz RPKAPBFNTWDKTF-RTBURBONSA-N 1 0 384.480 0.670 20 30 GCEDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCN(CCC#N)CC1 ZINC001180407351 1205824829 /nfs/dbraw/zinc/82/48/29/1205824829.db2.gz KHNJUNFWLRQCGR-RBUKOAKNSA-N 1 0 384.480 0.965 20 30 GCEDRO N#Cc1ccc(N2CCCN(C(=O)CC[NH+]3CCC(C(N)=O)CC3)CC2)nc1 ZINC001180610607 1205828626 /nfs/dbraw/zinc/82/86/26/1205828626.db2.gz MBXWFXHQVLBKOK-UHFFFAOYSA-N 1 0 384.484 0.579 20 30 GCEDRO C#CC(C)(C)C(=O)N(CC[NH3+])c1ccc(S(=O)(=O)N(C)C)c2nonc21 ZINC001182639053 1205877657 /nfs/dbraw/zinc/87/76/57/1205877657.db2.gz VUCRCMCHMZAOCN-UHFFFAOYSA-N 1 0 379.442 0.424 20 30 GCEDRO C#CC(C)(C)C(=O)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001182637096 1205877731 /nfs/dbraw/zinc/87/77/31/1205877731.db2.gz YKKWUUGBMFLDRG-LSDHHAIUSA-N 1 0 388.493 0.477 20 30 GCEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(C(=O)COc1ccc(C#N)cc1)CC2 ZINC001182912659 1205883042 /nfs/dbraw/zinc/88/30/42/1205883042.db2.gz CTFZOQUHWNKOQB-UHFFFAOYSA-N 1 0 397.435 0.801 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1Cc2c(-c3cnn(C)c3)nnn2C[C@H]1COC ZINC001183043006 1205885610 /nfs/dbraw/zinc/88/56/10/1205885610.db2.gz JHVNKUGOINPCLK-INIZCTEOSA-N 1 0 385.472 0.688 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1Cc2ccnn2C[C@@H](C(=O)NCCOC)C1 ZINC001183043241 1205885709 /nfs/dbraw/zinc/88/57/09/1205885709.db2.gz NJHDNKZYPVTOIN-INIZCTEOSA-N 1 0 375.473 0.256 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](CN2CCOCC2)c2ccc(C)cc2)CC1 ZINC000774833866 1205916903 /nfs/dbraw/zinc/91/69/03/1205916903.db2.gz WGNIEBYMTCTYTB-NRFANRHFSA-N 1 0 384.524 0.735 20 30 GCEDRO O=C(C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1)NCC#Cc1ccccc1 ZINC001185784562 1205929039 /nfs/dbraw/zinc/92/90/39/1205929039.db2.gz ZBNIYDOQYCEXFM-WTGUMLROSA-N 1 0 381.476 0.912 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCO1 ZINC000774953880 1205932180 /nfs/dbraw/zinc/93/21/80/1205932180.db2.gz CIENQDCIDDESAB-VQTJNVASSA-N 1 0 398.507 0.217 20 30 GCEDRO C=CCOCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001110385072 1205950049 /nfs/dbraw/zinc/95/00/49/1205950049.db2.gz KQGXJUYHTPFONN-KFWWJZLASA-N 1 0 378.473 0.631 20 30 GCEDRO C[NH+]1CCN(c2ccccc2C(=O)n2c(N)c(C#N)c(N)nc2=NC2CC2)CC1 ZINC001186879964 1205950312 /nfs/dbraw/zinc/95/03/12/1205950312.db2.gz MPJCZXRYZVKMHC-UHFFFAOYSA-N 1 0 392.467 0.423 20 30 GCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC(=O)N1 ZINC001187541353 1205965277 /nfs/dbraw/zinc/96/52/77/1205965277.db2.gz MZOMDQBBRISYBU-FHWLQOOXSA-N 1 0 398.507 0.759 20 30 GCEDRO CCN(CCC#N)C(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@@H]2C1 ZINC001188609514 1205987577 /nfs/dbraw/zinc/98/75/77/1205987577.db2.gz FTVGXIDZSKKUFL-MPXXYZEZSA-N 1 0 386.496 0.705 20 30 GCEDRO C=CCC1(S(=O)(=O)N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)CC1 ZINC001190783189 1206047047 /nfs/dbraw/zinc/04/70/47/1206047047.db2.gz FICVSQWHSYOUHE-UHFFFAOYSA-N 1 0 379.530 0.885 20 30 GCEDRO N#Cc1ccc(Cl)c(S(=O)(=O)N2CCN(CCN3CCOCC3)CC2)c1 ZINC001190954069 1206052423 /nfs/dbraw/zinc/05/24/23/1206052423.db2.gz VLHWIECZKKENKB-UHFFFAOYSA-N 1 0 398.916 0.850 20 30 GCEDRO COc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1C#N ZINC001164872342 721261022 /nfs/dbraw/zinc/26/10/22/721261022.db2.gz CXGZJQUDKVZHCQ-UHFFFAOYSA-N 1 0 387.484 0.969 20 30 GCEDRO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH2+]Cc3ccccc3-c3nn[nH]n3)C2)[nH]1 ZINC001571309629 946448897 /nfs/dbraw/zinc/44/88/97/946448897.db2.gz FWLDUZKISAJOIX-HNNXBMFYSA-N 1 0 392.423 0.697 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573282467 946693386 /nfs/dbraw/zinc/69/33/86/946693386.db2.gz JFTBFZDOMLTUDZ-STQMWFEESA-N 1 0 383.460 0.307 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573282464 946693476 /nfs/dbraw/zinc/69/34/76/946693476.db2.gz JFTBFZDOMLTUDZ-CHWSQXEVSA-N 1 0 383.460 0.307 20 30 GCEDRO C#CCN(C(=O)c1ccnnc1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573282679 946695201 /nfs/dbraw/zinc/69/52/01/946695201.db2.gz LFIAMAPMIBOXJK-UHFFFAOYSA-N 1 0 389.423 0.796 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573293849 946969682 /nfs/dbraw/zinc/96/96/82/946969682.db2.gz LUVDTPYXSOHGDF-ZDUSSCGKSA-N 1 0 388.476 0.670 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573294399 946987338 /nfs/dbraw/zinc/98/73/38/946987338.db2.gz FAIQCKONBQDYGB-QKRUXVEJSA-N 1 0 383.456 0.972 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573566581 947026775 /nfs/dbraw/zinc/02/67/75/947026775.db2.gz DIHZLSCUUMUOEJ-ZBEGNZNMSA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573566755 947033253 /nfs/dbraw/zinc/03/32/53/947033253.db2.gz GLYVFVZQWSYJTO-RHSMWYFYSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573567948 947060283 /nfs/dbraw/zinc/06/02/83/947060283.db2.gz VFQPFYHXHNCNDV-KPZWWZAWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573568192 947068479 /nfs/dbraw/zinc/06/84/79/947068479.db2.gz ZDIBHLYFWRXKIC-NEPJUHHUSA-N 1 0 375.458 0.795 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(CO)CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC001573575274 947136404 /nfs/dbraw/zinc/13/64/04/947136404.db2.gz WRHZOSFGGCABAL-LBPRGKRZSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573577005 947157493 /nfs/dbraw/zinc/15/74/93/947157493.db2.gz KTZVOOWCCIUDJE-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573577004 947157520 /nfs/dbraw/zinc/15/75/20/947157520.db2.gz KTZVOOWCCIUDJE-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001573576943 947158271 /nfs/dbraw/zinc/15/82/71/947158271.db2.gz KIISSMBJXBYPBV-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1OC ZINC001573309256 947194334 /nfs/dbraw/zinc/19/43/34/947194334.db2.gz FXEQLFJMFRNSJE-MDZRGWNJSA-N 1 0 386.456 0.509 20 30 GCEDRO C[C@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CCCO1 ZINC001573584469 947225319 /nfs/dbraw/zinc/22/53/19/947225319.db2.gz WMNDBMOXYLQNNH-DOMZBBRYSA-N 1 0 387.419 0.873 20 30 GCEDRO C=CCCC[NH+]1CC(n2cc(CNC(=O)c3cc(-c4nn[nH]n4)c[nH]3)nn2)C1 ZINC001573334928 947467736 /nfs/dbraw/zinc/46/77/36/947467736.db2.gz JRSLMOSSIPXOIN-UHFFFAOYSA-N 1 0 382.432 0.539 20 30 GCEDRO C=CCOCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573343066 947552296 /nfs/dbraw/zinc/55/22/96/947552296.db2.gz IYRIYLBQTFSNSV-GOSISDBHSA-N 1 0 390.419 0.261 20 30 GCEDRO C=CCn1cc(C(=O)N2CCC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nn1 ZINC001573347282 947571350 /nfs/dbraw/zinc/57/13/50/947571350.db2.gz BKTBTXZYXUHJSP-GFCCVEGCSA-N 1 0 380.416 0.178 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573351944 947623852 /nfs/dbraw/zinc/62/38/52/947623852.db2.gz XYYOGAZBKPTQDW-IOASZLSFSA-N 1 0 390.419 0.164 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCOC2(CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001571200705 953010697 /nfs/dbraw/zinc/01/06/97/953010697.db2.gz KBJNWOIAACDEGD-ZDUSSCGKSA-N 1 0 382.428 0.619 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261657858 530129175 /nfs/dbraw/zinc/12/91/75/530129175.db2.gz AJTWFUJGIBOIRI-UHFFFAOYSA-N 1 0 387.527 0.675 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC[C@](C)(O)c1ccsc1 ZINC000261730872 530129867 /nfs/dbraw/zinc/12/98/67/530129867.db2.gz YDPHJXWTUGIMIQ-INIZCTEOSA-N 1 0 388.559 0.792 20 30 GCEDRO CNC(=O)CC1CCN(C(NCc2ccc(S(N)(=O)=O)s2)=[NH+]C)CC1 ZINC000261830942 530130359 /nfs/dbraw/zinc/13/03/59/530130359.db2.gz VLWQOAPKGMKESZ-UHFFFAOYSA-N 1 0 387.531 0.319 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCc1nc(C)cs1 ZINC000262738147 530137012 /nfs/dbraw/zinc/13/70/12/530137012.db2.gz GZDKUDXXJHNWLE-UHFFFAOYSA-N 1 0 377.561 0.495 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCc1c(C)nn(C)c1C ZINC000262774666 530137391 /nfs/dbraw/zinc/13/73/91/530137391.db2.gz IYIFSTLWWKCBGI-UHFFFAOYSA-N 1 0 388.563 0.081 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CCn2cc(Br)cn2)nc1 ZINC000578880574 530170454 /nfs/dbraw/zinc/17/04/54/530170454.db2.gz GWVHGMZLFXIQLS-UHFFFAOYSA-N 1 0 384.259 0.976 20 30 GCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000560583177 530177607 /nfs/dbraw/zinc/17/76/07/530177607.db2.gz SKXDMLITZIWIJX-SECBINFHSA-N 1 0 399.274 0.910 20 30 GCEDRO COc1ccc(NC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1OC ZINC000267429172 530212532 /nfs/dbraw/zinc/21/25/32/530212532.db2.gz MCMTZRVPDAPOHY-UHFFFAOYSA-N 1 0 388.515 0.809 20 30 GCEDRO CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N ZINC000566630422 530285091 /nfs/dbraw/zinc/28/50/91/530285091.db2.gz VGAMHYXDPWCBTI-UHFFFAOYSA-N 1 0 388.515 0.449 20 30 GCEDRO CN(C(C)(C)C#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000566748594 530289274 /nfs/dbraw/zinc/28/92/74/530289274.db2.gz POXYOYKIMWOCNN-UHFFFAOYSA-N 1 0 388.515 0.449 20 30 GCEDRO C[N@@H+]1CC[C@@](O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451403561 530254651 /nfs/dbraw/zinc/25/46/51/530254651.db2.gz ZZKXINJTECQUPY-CYBMUJFWSA-N 1 0 392.250 0.805 20 30 GCEDRO C[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)s2)(N2CCOCC2)CC1 ZINC000581714975 530325546 /nfs/dbraw/zinc/32/55/46/530325546.db2.gz DPFGIFIDCAHZOS-UHFFFAOYSA-N 1 0 384.527 0.695 20 30 GCEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])NCCCN2CCOCC2)cc1Cl ZINC000277409064 530331663 /nfs/dbraw/zinc/33/16/63/530331663.db2.gz OQJJOOARSOPXIV-UHFFFAOYSA-N 1 0 388.921 0.870 20 30 GCEDRO Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000563010136 530350053 /nfs/dbraw/zinc/35/00/53/530350053.db2.gz GAHXRDQXJDNMRO-HNNXBMFYSA-N 1 0 388.921 0.723 20 30 GCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000591728001 530410617 /nfs/dbraw/zinc/41/06/17/530410617.db2.gz WEVPXVJDBLHWJY-OAHLLOKOSA-N 1 0 383.290 0.975 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000594628445 530432808 /nfs/dbraw/zinc/43/28/08/530432808.db2.gz UQLHBVJZWLYHFC-STQMWFEESA-N 1 0 388.515 0.495 20 30 GCEDRO C#CC[N@H+](C)CCCNC(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC000293977564 530456900 /nfs/dbraw/zinc/45/69/00/530456900.db2.gz MRHFPVOXOOUVBK-UHFFFAOYSA-N 1 0 385.511 0.454 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCCCN1CC[NH2+]CC1 ZINC000572367908 530514113 /nfs/dbraw/zinc/51/41/13/530514113.db2.gz MQOTUJGMOJSATE-UHFFFAOYSA-N 1 0 387.303 0.894 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC1 ZINC000331235527 530544234 /nfs/dbraw/zinc/54/42/34/530544234.db2.gz LUWNBRACSHXTRD-CQSZACIVSA-N 1 0 389.547 0.783 20 30 GCEDRO C[NH+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc(CC#N)cc2Cl)CC1 ZINC000451067255 530572595 /nfs/dbraw/zinc/57/25/95/530572595.db2.gz YVELYKSKTXEUKQ-UHFFFAOYSA-N 1 0 384.889 0.801 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000573103876 530574640 /nfs/dbraw/zinc/57/46/40/530574640.db2.gz FRIDLYJMPBTXIQ-STQMWFEESA-N 1 0 388.515 0.448 20 30 GCEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CCC1 ZINC000574465168 530590883 /nfs/dbraw/zinc/59/08/83/530590883.db2.gz DKGIBHNLYWKCIF-UHFFFAOYSA-N 1 0 386.499 0.251 20 30 GCEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1C[C@@H](C)O ZINC000329562477 530615025 /nfs/dbraw/zinc/61/50/25/530615025.db2.gz NEDNVMXNQCASHN-RBSFLKMASA-N 1 0 376.523 0.101 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000330138891 530626961 /nfs/dbraw/zinc/62/69/61/530626961.db2.gz IOCXDOPDOKXFOD-ZFWWWQNUSA-N 1 0 378.564 0.599 20 30 GCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329864631 530621877 /nfs/dbraw/zinc/62/18/77/530621877.db2.gz ZUCPQBWEYYEFGO-CQSZACIVSA-N 1 0 378.564 0.551 20 30 GCEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@@H](C)C#N ZINC000349476585 530647506 /nfs/dbraw/zinc/64/75/06/530647506.db2.gz HNHJOKHCVFTDCV-LSDHHAIUSA-N 1 0 394.563 0.296 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000591299455 530710219 /nfs/dbraw/zinc/71/02/19/530710219.db2.gz JEYJUKONHZXHLM-TVQRCGJNSA-N 1 0 381.230 0.834 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510754624 530819300 /nfs/dbraw/zinc/81/93/00/530819300.db2.gz VQXXFDGRSBTLPZ-CVEARBPZSA-N 1 0 385.511 0.782 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@@H](O)C2)ccc1Br ZINC000600070251 530821331 /nfs/dbraw/zinc/82/13/31/530821331.db2.gz JEILDYHPLHZFCB-GFCCVEGCSA-N 1 0 381.230 0.442 20 30 GCEDRO N#Cc1ccccc1OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000600725181 530822421 /nfs/dbraw/zinc/82/24/21/530822421.db2.gz CNSKHYFSQVOWPN-AWEZNQCLSA-N 1 0 381.479 0.928 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cccc(Cl)c1C#N ZINC000443325175 530898183 /nfs/dbraw/zinc/89/81/83/530898183.db2.gz VZHJNZOIHZPIEX-UHFFFAOYSA-N 1 0 375.878 0.773 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC[C@@](F)(C#N)C2)cc[nH+]1 ZINC000349502886 530883513 /nfs/dbraw/zinc/88/35/13/530883513.db2.gz RLVIVOCHDAQYLM-CQSZACIVSA-N 1 0 390.462 0.211 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(Cl)cc1C#N ZINC000443309297 530896708 /nfs/dbraw/zinc/89/67/08/530896708.db2.gz FFTVTKURJWNIBZ-UHFFFAOYSA-N 1 0 375.878 0.773 20 30 GCEDRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000500646937 530927304 /nfs/dbraw/zinc/92/73/04/530927304.db2.gz ZLAUFCIDDCTQEX-UHFFFAOYSA-N 1 0 383.246 0.954 20 30 GCEDRO C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC1(C#N)CC1)[NH+](C)C ZINC000517041389 530957642 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ZINC000261656679 1185337726 /nfs/dbraw/zinc/33/77/26/1185337726.db2.gz ANMVWNDWMKOBGV-ZWKOTPCHSA-N 1 0 396.561 0.309 20 30 GCEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000275977469 1185354314 /nfs/dbraw/zinc/35/43/14/1185354314.db2.gz MHGPGHYYGBBJRF-UHFFFAOYSA-N 1 0 387.484 0.991 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000558526161 1185650170 /nfs/dbraw/zinc/65/01/70/1185650170.db2.gz HZNWAJXXMJNXGZ-UHFFFAOYSA-N 1 0 379.424 0.844 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(c3cncc4ncnn43)CC2)CC1 ZINC000276340013 1185744289 /nfs/dbraw/zinc/74/42/89/1185744289.db2.gz HDKNCVXSUVYJII-UHFFFAOYSA-N 1 0 384.488 0.996 20 30 GCEDRO CC(C)(CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000328799498 1185756573 /nfs/dbraw/zinc/75/65/73/1185756573.db2.gz HGEBFXFNVZAQHO-UHFFFAOYSA-N 1 0 395.548 0.641 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000891435633 1185783290 /nfs/dbraw/zinc/78/32/90/1185783290.db2.gz DBKOAPQMEAVMCQ-UHFFFAOYSA-N 1 0 385.534 0.090 20 30 GCEDRO C[NH+](C)CCN1CCC(NC(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000328833437 1185937377 /nfs/dbraw/zinc/93/73/77/1185937377.db2.gz RUWFVDFLFOBFOH-QGZVFWFLSA-N 1 0 381.521 0.250 20 30 GCEDRO C#CCN1CCC[C@H](NC(=O)C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000891607536 1185938161 /nfs/dbraw/zinc/93/81/61/1185938161.db2.gz OIFPPUFSWCOTKI-FQEVSTJZSA-N 1 0 397.523 0.586 20 30 GCEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)NC[C@H]3CCCS3(=O)=O)CC2)CC1 ZINC000328857987 1185985978 /nfs/dbraw/zinc/98/59/78/1185985978.db2.gz YBRVGVBNYZXZEL-QGZVFWFLSA-N 1 0 386.562 0.968 20 30 GCEDRO Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCc1[nH]nc(N)c1C#N ZINC000176039295 1186118975 /nfs/dbraw/zinc/11/89/75/1186118975.db2.gz HDPIQZYCERPREF-UHFFFAOYSA-N 1 0 383.456 0.921 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000891903916 1186150026 /nfs/dbraw/zinc/15/00/26/1186150026.db2.gz SJSAQRSYZIUDCD-KRWDZBQOSA-N 1 0 399.561 0.293 20 30 GCEDRO C[N@@H+]1CCC[C@@H](N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)CC2)C1 ZINC000610758283 1186173182 /nfs/dbraw/zinc/17/31/82/1186173182.db2.gz NWPZWSQKIXXZJD-CQSZACIVSA-N 1 0 393.469 0.867 20 30 GCEDRO COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccc(C#N)c2)C1 ZINC000610806160 1186227132 /nfs/dbraw/zinc/22/71/32/1186227132.db2.gz VCEJWNCEMLRVCC-HOCLYGCPSA-N 1 0 394.497 0.452 20 30 GCEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000610806139 1186227429 /nfs/dbraw/zinc/22/74/29/1186227429.db2.gz TYEZMELLWYYPQH-GDBMZVCRSA-N 1 0 394.497 0.452 20 30 GCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000610822025 1186244451 /nfs/dbraw/zinc/24/44/51/1186244451.db2.gz ZJUAOTLLUOQBLC-QUCCMNQESA-N 1 0 386.496 0.731 20 30 GCEDRO C[C@@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C[NH+]1CCN(C)CC1 ZINC000511023258 1186329579 /nfs/dbraw/zinc/32/95/79/1186329579.db2.gz AUUIAKMLUNSUFM-HNNXBMFYSA-N 1 0 381.484 0.939 20 30 GCEDRO Cc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000511032865 1186335755 /nfs/dbraw/zinc/33/57/55/1186335755.db2.gz SASHWRFRKPMXCR-OAHLLOKOSA-N 1 0 393.513 0.163 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000582072066 1186397207 /nfs/dbraw/zinc/39/72/07/1186397207.db2.gz LNQPMNIMYDZLPF-VNQPRFMTSA-N 1 0 376.482 0.920 20 30 GCEDRO COCCN1C(=O)C[C@@H](CNC(=[NH2+])N[C@H](C)COC)[C@@H]1c1cnn(C)c1C ZINC000277476033 1186411850 /nfs/dbraw/zinc/41/18/50/1186411850.db2.gz TWCKPGFLEHQJCC-HACGYAERSA-N 1 0 380.493 0.204 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000277477403 1186413853 /nfs/dbraw/zinc/41/38/53/1186413853.db2.gz ITFKNDNBQSEHQD-MRXNPFEDSA-N 1 0 393.509 0.829 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000892237792 1186483109 /nfs/dbraw/zinc/48/31/09/1186483109.db2.gz QGLNFECLGHYQOZ-FUHWJXTLSA-N 1 0 399.561 0.292 20 30 GCEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158600699 1186523348 /nfs/dbraw/zinc/52/33/48/1186523348.db2.gz SOVAJPIPABGEMM-UHFFFAOYSA-N 1 0 376.486 0.852 20 30 GCEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000111556787 1186535164 /nfs/dbraw/zinc/53/51/64/1186535164.db2.gz ASZWWRFVUTWQRM-GOSISDBHSA-N 1 0 387.459 0.732 20 30 GCEDRO CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001708084787 1186537181 /nfs/dbraw/zinc/53/71/81/1186537181.db2.gz FOYKLKBEQYDJOE-JKSUJKDBSA-N 1 0 389.504 0.877 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000048773518 1186607875 /nfs/dbraw/zinc/60/78/75/1186607875.db2.gz KXBALDKPVJKBFG-UHFFFAOYSA-N 1 0 394.497 0.642 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000892286579 1186622518 /nfs/dbraw/zinc/62/25/18/1186622518.db2.gz ODPIYCQBHVUJOT-YESZJQIVSA-N 1 0 399.561 0.148 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC2)c1 ZINC000582719557 1186624820 /nfs/dbraw/zinc/62/48/20/1186624820.db2.gz HSUWFRXJHQSJPK-SFHVURJKSA-N 1 0 396.495 0.592 20 30 GCEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=NOCC(=O)OCC)c2ccn[nH]2)C1 ZINC000277868743 1186655318 /nfs/dbraw/zinc/65/53/18/1186655318.db2.gz BPGHRJJORZHDHO-HGNXGAGXSA-N 1 0 379.461 0.884 20 30 GCEDRO COc1cc(C#N)ccc1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000582773325 1186664889 /nfs/dbraw/zinc/66/48/89/1186664889.db2.gz IDFLOBHLGIHDQB-AWEZNQCLSA-N 1 0 399.373 0.458 20 30 GCEDRO Cn1ccc(CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000582810536 1186688641 /nfs/dbraw/zinc/68/86/41/1186688641.db2.gz ADRMAIQNSLKGCT-UHFFFAOYSA-N 1 0 382.468 0.541 20 30 GCEDRO CC[NH+]1CCN(CCC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000277923279 1186703525 /nfs/dbraw/zinc/70/35/25/1186703525.db2.gz RMENVWGVVSMCKP-LJQANCHMSA-N 1 0 383.496 0.803 20 30 GCEDRO COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000583438264 1186757033 /nfs/dbraw/zinc/75/70/33/1186757033.db2.gz AHGBVKVTANCSHN-SFHVURJKSA-N 1 0 387.484 0.590 20 30 GCEDRO CN(CC[NH+](C)C)C(=O)C1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000176374769 1186769052 /nfs/dbraw/zinc/76/90/52/1186769052.db2.gz SPSWDWULPHNNBX-UHFFFAOYSA-N 1 0 378.498 0.979 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248006841 1186779952 /nfs/dbraw/zinc/77/99/52/1186779952.db2.gz KXOITWNBAXIDPF-YDHLFZDLSA-N 1 0 376.482 0.966 20 30 GCEDRO C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000583203187 1186795118 /nfs/dbraw/zinc/79/51/18/1186795118.db2.gz UOMMDZKOVZTPSG-OAHLLOKOSA-N 1 0 393.451 0.614 20 30 GCEDRO C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)C(=O)N1CCCC[C@H]1C ZINC000329160222 1186866602 /nfs/dbraw/zinc/86/66/02/1186866602.db2.gz DQVVVVCHEQLCEC-SJORKVTESA-N 1 0 393.532 0.930 20 30 GCEDRO CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000329180880 1186872894 /nfs/dbraw/zinc/87/28/94/1186872894.db2.gz NFAJMNRAZVQKOY-JYJNAYRXSA-N 1 0 388.534 0.367 20 30 GCEDRO N#Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3CCCO)C2=O)cc1 ZINC000458692990 1186947445 /nfs/dbraw/zinc/94/74/45/1186947445.db2.gz HFRVKGGMWAHUEO-RBUKOAKNSA-N 1 0 399.495 0.805 20 30 GCEDRO C=CCc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CS(=O)(=O)CCO2)c(OC)c1 ZINC000583867236 1186955376 /nfs/dbraw/zinc/95/53/76/1186955376.db2.gz WQYSXTJKAGCRRJ-JKSUJKDBSA-N 1 0 385.482 0.567 20 30 GCEDRO C=CCNC(=O)c1ccc(NC(=O)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000052654518 1186956716 /nfs/dbraw/zinc/95/67/16/1186956716.db2.gz JFTYTKCGSOBJFH-UHFFFAOYSA-N 1 0 387.484 0.295 20 30 GCEDRO C[NH+]1CCC2(CCCN2C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)CC1 ZINC000583917650 1186960803 /nfs/dbraw/zinc/96/08/03/1186960803.db2.gz IEBBRDZHYIJCHG-UHFFFAOYSA-N 1 0 396.495 0.689 20 30 GCEDRO C[NH+](C)CCOC1CCN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000583965185 1186969006 /nfs/dbraw/zinc/96/90/06/1186969006.db2.gz WEOZEFBAOWASPX-UHFFFAOYSA-N 1 0 394.497 0.406 20 30 GCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000583965842 1186969738 /nfs/dbraw/zinc/96/97/38/1186969738.db2.gz YUYGLEUNKVYIJP-OAHLLOKOSA-N 1 0 382.486 0.310 20 30 GCEDRO O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000329778482 1187043450 /nfs/dbraw/zinc/04/34/50/1187043450.db2.gz QBJJSAWBZAWAON-CVEARBPZSA-N 1 0 397.501 0.663 20 30 GCEDRO CC[NH+]=C(NCCN1CCOC(C)(C)C1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262594731 1187112006 /nfs/dbraw/zinc/11/20/06/1187112006.db2.gz WEXBFLVNRHWMGL-QGZVFWFLSA-N 1 0 395.548 0.386 20 30 GCEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H]3CCCS(=O)(=O)C3)CC2)CC1 ZINC000329856261 1187130320 /nfs/dbraw/zinc/13/03/20/1187130320.db2.gz UQMRGCRRRIPSJZ-INIZCTEOSA-N 1 0 386.562 0.968 20 30 GCEDRO N#Cc1ccc(CS(=O)(=O)NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000431598689 1187146189 /nfs/dbraw/zinc/14/61/89/1187146189.db2.gz XIBFRLCWOFAATM-UHFFFAOYSA-N 1 0 378.498 0.970 20 30 GCEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000611959854 1187153673 /nfs/dbraw/zinc/15/36/73/1187153673.db2.gz LVKLQAAFDSBHDF-GOSISDBHSA-N 1 0 392.544 0.714 20 30 GCEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1O ZINC001023913933 1187169438 /nfs/dbraw/zinc/16/94/38/1187169438.db2.gz RGXZDCQNJGKRJN-MLHJIOFPSA-N 1 0 379.501 0.387 20 30 GCEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023919682 1187171605 /nfs/dbraw/zinc/17/16/05/1187171605.db2.gz WUCUKFMBZAALQH-FAJBIJEISA-N 1 0 393.528 0.778 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1O ZINC001023942471 1187182485 /nfs/dbraw/zinc/18/24/85/1187182485.db2.gz YNQBDPXDUYNZCI-HZMVEIRTSA-N 1 0 379.501 0.530 20 30 GCEDRO C#CCOc1ccc(C(=O)N2C[C@@H](O)[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001023967554 1187199750 /nfs/dbraw/zinc/19/97/50/1187199750.db2.gz DWQZYBRSERKVFS-UTRMSSBJSA-N 1 0 385.464 0.340 20 30 GCEDRO CC(C)C[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000065962197 1187514709 /nfs/dbraw/zinc/51/47/09/1187514709.db2.gz UGSCGFAGBQDLOL-UHFFFAOYSA-N 1 0 378.498 0.979 20 30 GCEDRO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000413894164 1187568440 /nfs/dbraw/zinc/56/84/40/1187568440.db2.gz CEKYIXPZRQBBGB-ROUUACIJSA-N 1 0 398.463 0.612 20 30 GCEDRO COc1ccc(S(=O)(=O)N2CCC([NH2+]CCn3cnc(C#N)n3)CC2)cc1 ZINC000376104820 1187607506 /nfs/dbraw/zinc/60/75/06/1187607506.db2.gz USOAFAHNBTUJPB-UHFFFAOYSA-N 1 0 390.469 0.601 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N ZINC000580568397 1187691178 /nfs/dbraw/zinc/69/11/78/1187691178.db2.gz FILSPPREMYWOJP-ROUUACIJSA-N 1 0 393.447 0.952 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000581074188 1187705806 /nfs/dbraw/zinc/70/58/06/1187705806.db2.gz NBGVOBYXJAEMLS-HOTGVXAUSA-N 1 0 376.482 0.685 20 30 GCEDRO C[NH+]1CCN(c2ccc(CNC(=O)C(=O)Nc3cccc(C#N)n3)cn2)CC1 ZINC000581724931 1187718168 /nfs/dbraw/zinc/71/81/68/1187718168.db2.gz IJXNNTLSPSBIAB-UHFFFAOYSA-N 1 0 379.424 0.355 20 30 GCEDRO C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000582462165 1187736360 /nfs/dbraw/zinc/73/63/60/1187736360.db2.gz GVXBILIKKHGYOD-QGZVFWFLSA-N 1 0 385.468 0.415 20 30 GCEDRO C[NH+](C)CC(=O)N1CCN(C(=O)CCC(=O)N(CCC#N)c2ccccc2)CC1 ZINC000066620233 1187754111 /nfs/dbraw/zinc/75/41/11/1187754111.db2.gz JPUQLURZXVDKAU-UHFFFAOYSA-N 1 0 399.495 0.946 20 30 GCEDRO COCCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000290198727 1187831373 /nfs/dbraw/zinc/83/13/73/1187831373.db2.gz VLLSZGAQKIZXHR-UHFFFAOYSA-N 1 0 394.497 0.454 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001025292526 1187938870 /nfs/dbraw/zinc/93/88/70/1187938870.db2.gz VHTMJKDZFFOTKE-TVFCKZIOSA-N 1 0 379.501 0.387 20 30 GCEDRO N#Cc1c2c(n(C[C@H]3CCCO3)c1NC(=O)C[NH2+]C(CO)CO)CCCC2 ZINC000580208478 1187950331 /nfs/dbraw/zinc/95/03/31/1187950331.db2.gz DGMPKULLRISYCL-CQSZACIVSA-N 1 0 376.457 0.299 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1C ZINC001104704126 1188007315 /nfs/dbraw/zinc/00/73/15/1188007315.db2.gz ZGPQARMQWZFJBU-KLHDSHLOSA-N 1 0 380.489 0.640 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]CC[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C[C@H]1C ZINC001104709179 1188010503 /nfs/dbraw/zinc/01/05/03/1188010503.db2.gz ZNUMFQRIDFRXOX-HHARLNAUSA-N 1 0 392.500 0.640 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415300191 1188026088 /nfs/dbraw/zinc/02/60/88/1188026088.db2.gz JEWRQAKZZSJSTB-UHFFFAOYSA-N 1 0 394.497 0.629 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000377474693 1188032349 /nfs/dbraw/zinc/03/23/49/1188032349.db2.gz JCLKDKRQXSVTSG-HZPDHXFCSA-N 1 0 377.466 0.191 20 30 GCEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C#N ZINC000415327437 1188035904 /nfs/dbraw/zinc/03/59/04/1188035904.db2.gz JBAYPBHETDPWIZ-OAHLLOKOSA-N 1 0 383.452 0.476 20 30 GCEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000415334621 1188038627 /nfs/dbraw/zinc/03/86/27/1188038627.db2.gz RNLPAGGITCJZQL-MRXNPFEDSA-N 1 0 383.452 0.476 20 30 GCEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415384333 1188067863 /nfs/dbraw/zinc/06/78/63/1188067863.db2.gz YPXFYLLOOXHXFJ-ZDUSSCGKSA-N 1 0 386.843 1.546 20 30 GCEDRO CCCN(C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1)[C@@H]1CC[NH2+]C1 ZINC000415387200 1188070073 /nfs/dbraw/zinc/07/00/73/1188070073.db2.gz CKXKZOARGJACSL-CYBMUJFWSA-N 1 0 384.415 1.422 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)cc1 ZINC000415413273 1188074932 /nfs/dbraw/zinc/07/49/32/1188074932.db2.gz NNQTUODRTWRZBP-ZDUSSCGKSA-N 1 0 382.486 0.403 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000415420790 1188076226 /nfs/dbraw/zinc/07/62/26/1188076226.db2.gz BREJAXFJWPSPRH-OAHLLOKOSA-N 1 0 396.513 0.921 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C1 ZINC000415455609 1188085043 /nfs/dbraw/zinc/08/50/43/1188085043.db2.gz WGCHGFCXIMYOQO-CHWSQXEVSA-N 1 0 384.415 1.407 20 30 GCEDRO COCCOc1ccc(C#N)cc1NC(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000415466065 1188086467 /nfs/dbraw/zinc/08/64/67/1188086467.db2.gz QGHMFKZRGGAQAB-OAHLLOKOSA-N 1 0 389.456 0.902 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000415468830 1188087250 /nfs/dbraw/zinc/08/72/50/1188087250.db2.gz WDRAPKYGEUYRKX-MRXNPFEDSA-N 1 0 395.467 1.410 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000415519371 1188097156 /nfs/dbraw/zinc/09/71/56/1188097156.db2.gz JNUNVWJBAASVEK-KGLIPLIRSA-N 1 0 394.497 0.627 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)c(F)c1 ZINC000415574638 1188109239 /nfs/dbraw/zinc/10/92/39/1188109239.db2.gz DQLAQGYKSHUQQY-DZKIICNBSA-N 1 0 396.426 1.407 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000415624293 1188129817 /nfs/dbraw/zinc/12/98/17/1188129817.db2.gz KHXGITBSHPIHRQ-CQSZACIVSA-N 1 0 394.497 0.690 20 30 GCEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415693350 1188141886 /nfs/dbraw/zinc/14/18/86/1188141886.db2.gz PPRHISIYUVVSGD-AWEZNQCLSA-N 1 0 383.374 0.758 20 30 GCEDRO Cc1cccc(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N ZINC000415698178 1188142464 /nfs/dbraw/zinc/14/24/64/1188142464.db2.gz XXZGXTMAKFEZLI-CQSZACIVSA-N 1 0 383.374 0.758 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000415696099 1188142551 /nfs/dbraw/zinc/14/25/51/1188142551.db2.gz UCQREPDMQXIWCA-GOSISDBHSA-N 1 0 394.497 0.629 20 30 GCEDRO N#Cc1ccc(OC(F)F)c(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000415717185 1188148282 /nfs/dbraw/zinc/14/82/82/1188148282.db2.gz XSPVXMPWBVOVCS-ZDUSSCGKSA-N 1 0 393.394 0.604 20 30 GCEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000415739030 1188155013 /nfs/dbraw/zinc/15/50/13/1188155013.db2.gz FKGVONLDXUYUQQ-GXTWGEPZSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000415739032 1188155073 /nfs/dbraw/zinc/15/50/73/1188155073.db2.gz FKGVONLDXUYUQQ-OCCSQVGLSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1 ZINC000415747855 1188156894 /nfs/dbraw/zinc/15/68/94/1188156894.db2.gz OXFFYJHVGJOYHK-KBPBESRZSA-N 1 0 382.399 0.889 20 30 GCEDRO N#Cc1ncn(-c2ccccc2NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000377908783 1189368413 /nfs/dbraw/zinc/36/84/13/1189368413.db2.gz VTSCKKFPUVDVDC-CQSZACIVSA-N 1 0 379.424 0.774 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415818109 1189371219 /nfs/dbraw/zinc/37/12/19/1189371219.db2.gz SCIUJRPCEHJUKW-CJNGLKHVSA-N 1 0 392.481 0.252 20 30 GCEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290376790 1189373337 /nfs/dbraw/zinc/37/33/37/1189373337.db2.gz AUEMKLQTEQYZLP-GOEBONIOSA-N 1 0 376.482 0.922 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415846057 1189379988 /nfs/dbraw/zinc/37/99/88/1189379988.db2.gz KLBZZJQPMQKMIC-WFASDCNBSA-N 1 0 381.440 0.829 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C[NH3+] ZINC000415848525 1189380507 /nfs/dbraw/zinc/38/05/07/1189380507.db2.gz LWGXIKXEICRDHH-GXTWGEPZSA-N 1 0 384.415 1.265 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@H]1C[NH3+] ZINC000415848533 1189380621 /nfs/dbraw/zinc/38/06/21/1189380621.db2.gz LWGXIKXEICRDHH-OCCSQVGLSA-N 1 0 384.415 1.265 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC000415869351 1189389303 /nfs/dbraw/zinc/38/93/03/1189389303.db2.gz ZWTOWCSQVNFRFH-GFCCVEGCSA-N 1 0 386.330 0.972 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1OC(F)(F)F ZINC000415869355 1189389386 /nfs/dbraw/zinc/38/93/86/1189389386.db2.gz ZWTOWCSQVNFRFH-LBPRGKRZSA-N 1 0 386.330 0.972 20 30 GCEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC[C@H]21 ZINC000290552864 1189413421 /nfs/dbraw/zinc/41/34/21/1189413421.db2.gz QDQDCVHCGTTYQN-DOTOQJQBSA-N 1 0 376.482 0.779 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]Cc2nc(=O)n(C)[nH]2)C1 ZINC001104782801 1189435673 /nfs/dbraw/zinc/43/56/73/1189435673.db2.gz ULPGFDJLAFECNV-AIANPOQGSA-N 1 0 377.489 0.664 20 30 GCEDRO C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000378423311 1189502404 /nfs/dbraw/zinc/50/24/04/1189502404.db2.gz BKHZWFSAYAJIOO-QGZVFWFLSA-N 1 0 378.517 0.877 20 30 GCEDRO NS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000330212915 1189548621 /nfs/dbraw/zinc/54/86/21/1189548621.db2.gz DYBLXBPXINGIIW-HZPDHXFCSA-N 1 0 388.534 0.626 20 30 GCEDRO C[NH+]1CCC(CNS(=O)(=O)c2cccnc2C#N)(N2CCOCC2)CC1 ZINC000416591348 1189558665 /nfs/dbraw/zinc/55/86/65/1189558665.db2.gz UICRMGZBDIPDOW-UHFFFAOYSA-N 1 0 379.486 0.028 20 30 GCEDRO N#Cc1ccc(OCCNC(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000417764734 1189703051 /nfs/dbraw/zinc/70/30/51/1189703051.db2.gz PQGMMTOZKGCWNX-MJGOQNOKSA-N 1 0 385.468 0.883 20 30 GCEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290755031 1189703915 /nfs/dbraw/zinc/70/39/15/1189703915.db2.gz ZBPFCEZXJXFKRH-UHFFFAOYSA-N 1 0 395.529 0.178 20 30 GCEDRO COCC1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]CC1 ZINC000418078293 1189720268 /nfs/dbraw/zinc/72/02/68/1189720268.db2.gz NVRSQOHKHFFRPM-SFHVURJKSA-N 1 0 399.495 0.975 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000364377364 1189773329 /nfs/dbraw/zinc/77/33/29/1189773329.db2.gz OJQFDCWZTQUAQQ-HZPDHXFCSA-N 1 0 377.466 0.191 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000364377363 1189773375 /nfs/dbraw/zinc/77/33/75/1189773375.db2.gz OJQFDCWZTQUAQQ-HOTGVXAUSA-N 1 0 377.466 0.191 20 30 GCEDRO CC[NH+](CC)CCN(C(=O)Cc1noc(C)c1C#N)[C@@H]1CCS(=O)(=O)C1 ZINC000500349317 1189785718 /nfs/dbraw/zinc/78/57/18/1189785718.db2.gz PVBMEQNFOXYCDN-CQSZACIVSA-N 1 0 382.486 0.755 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418503220 1189806742 /nfs/dbraw/zinc/80/67/42/1189806742.db2.gz WXRUEPKPVQNFTL-OAHLLOKOSA-N 1 0 377.470 0.311 20 30 GCEDRO C[NH+]=C(NCCc1csc(C)n1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261705328 1193730993 /nfs/dbraw/zinc/73/09/93/1193730993.db2.gz GPAQXPTVSMVSFU-KRWDZBQOSA-N 1 0 378.502 0.880 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000595588902 1193745778 /nfs/dbraw/zinc/74/57/78/1193745778.db2.gz TUWFCPXTSWUGAQ-QUCCMNQESA-N 1 0 392.544 0.836 20 30 GCEDRO CC[NH+]=C(NCC1(O)CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261711552 1193754884 /nfs/dbraw/zinc/75/48/84/1193754884.db2.gz HGNZGQHFZDIZNO-GOSISDBHSA-N 1 0 379.505 0.957 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000664021343 1193759277 /nfs/dbraw/zinc/75/92/77/1193759277.db2.gz WWEXCMJMGNQTDI-UHFFFAOYSA-N 1 0 382.490 0.076 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1[C@H]1CCS(=O)(=O)C1 ZINC000614258554 1193759978 /nfs/dbraw/zinc/75/99/78/1193759978.db2.gz RHURKZRFCXUOGX-AWEZNQCLSA-N 1 0 382.490 0.942 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261721511 1193784782 /nfs/dbraw/zinc/78/47/82/1193784782.db2.gz IKGXPRQKXFZMOF-SSHHRWTQSA-N 1 0 377.489 0.685 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261721508 1193784835 /nfs/dbraw/zinc/78/48/35/1193784835.db2.gz IKGXPRQKXFZMOF-LJPSSGMGSA-N 1 0 377.489 0.685 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1 ZINC000419286085 1193786589 /nfs/dbraw/zinc/78/65/89/1193786589.db2.gz NTPAYMBWEYJXGX-RHSMWYFYSA-N 1 0 385.468 0.582 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1 ZINC000419296938 1193791785 /nfs/dbraw/zinc/79/17/85/1193791785.db2.gz YHADZLSOXKQOSS-CRAIPNDOSA-N 1 0 397.479 0.406 20 30 GCEDRO C[C@H](NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000419296414 1193791997 /nfs/dbraw/zinc/79/19/97/1193791997.db2.gz XOTGISNONBNRFH-WFASDCNBSA-N 1 0 397.401 0.688 20 30 GCEDRO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261727467 1193796080 /nfs/dbraw/zinc/79/60/80/1193796080.db2.gz JBHNZURCUIQXAK-KUHUBIRLSA-N 1 0 390.488 0.768 20 30 GCEDRO C[NH+]=C(NCCOc1ncccc1Cl)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261728774 1193800689 /nfs/dbraw/zinc/80/06/89/1193800689.db2.gz LJSBLYAAJHRFGG-UHFFFAOYSA-N 1 0 391.863 0.772 20 30 GCEDRO C[NH+]=C(NCc1cn2ccsc2n1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261757770 1193873333 /nfs/dbraw/zinc/87/33/33/1193873333.db2.gz MPOAHAXGGPYRLO-QGZVFWFLSA-N 1 0 389.485 0.781 20 30 GCEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNc2ncccc2C#N)CC1 ZINC000729051237 1193903730 /nfs/dbraw/zinc/90/37/30/1193903730.db2.gz NYHMNUZNNGRTKG-UHFFFAOYSA-N 1 0 387.488 0.561 20 30 GCEDRO CCn1c(=O)c2ccccc2n(CC(=O)N(CCC#N)CCC[NH+](C)C)c1=O ZINC000729341440 1193913364 /nfs/dbraw/zinc/91/33/64/1193913364.db2.gz GOLZZKKKTUFANG-UHFFFAOYSA-N 1 0 385.468 0.877 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1ccccc1OC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261672004 1193922838 /nfs/dbraw/zinc/92/28/38/1193922838.db2.gz GVMLBBDEUPYNSU-INIZCTEOSA-N 1 0 386.456 0.386 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261681383 1193923029 /nfs/dbraw/zinc/92/30/29/1193923029.db2.gz DDTCNZQBEMQORC-WBVHZDCISA-N 1 0 386.504 0.921 20 30 GCEDRO C[NH+]=C(NCc1cccn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261716039 1193923688 /nfs/dbraw/zinc/92/36/88/1193923688.db2.gz HUFAOXHCECRWDM-UHFFFAOYSA-N 1 0 380.474 0.236 20 30 GCEDRO C[NH+]=C(NCc1cc(OC)ccc1OC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261764895 1193925322 /nfs/dbraw/zinc/92/53/22/1193925322.db2.gz ORXHHCDEDPSIST-UHFFFAOYSA-N 1 0 386.456 0.862 20 30 GCEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N1CCN(c2nc(CC)ns2)CC1 ZINC000261755537 1193925350 /nfs/dbraw/zinc/92/53/50/1193925350.db2.gz MJCAFEFKHBXJLG-UHFFFAOYSA-N 1 0 389.533 0.926 20 30 GCEDRO CC[NH+]=C(NCc1ccnn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261760196 1193925358 /nfs/dbraw/zinc/92/53/58/1193925358.db2.gz MUIKJXVUMZEINW-UHFFFAOYSA-N 1 0 395.489 0.021 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261773273 1193925849 /nfs/dbraw/zinc/92/58/49/1193925849.db2.gz PLNUDLSMLGXKLH-NXHRZFHOSA-N 1 0 386.500 0.992 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261773263 1193925903 /nfs/dbraw/zinc/92/59/03/1193925903.db2.gz PLNUDLSMLGXKLH-JQHSSLGASA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261773280 1193925948 /nfs/dbraw/zinc/92/59/48/1193925948.db2.gz PLOSDLVBRAHMHE-UHFFFAOYSA-N 1 0 380.518 0.556 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261804993 1193927084 /nfs/dbraw/zinc/92/70/84/1193927084.db2.gz SDGZMPDEKYUNGK-HXUWFJFHSA-N 1 0 382.468 0.478 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000261855675 1193929075 /nfs/dbraw/zinc/92/90/75/1193929075.db2.gz MUQWUSNWZGZWME-RXVVDRJESA-N 1 0 386.496 0.719 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1cc(OC)ccc1OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261952110 1193932889 /nfs/dbraw/zinc/93/28/89/1193932889.db2.gz HRWPHAYINCHKAU-HNNXBMFYSA-N 1 0 399.513 0.822 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1cccc(C)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261958979 1193933282 /nfs/dbraw/zinc/93/32/82/1193933282.db2.gz JPJADOFKYPKDFR-UHFFFAOYSA-N 1 0 380.514 0.809 20 30 GCEDRO C[NH+]=C(NC[C@@H](O)c1cc(OC)cc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261965297 1193933813 /nfs/dbraw/zinc/93/38/13/1193933813.db2.gz LHYLMWYTIAEQGT-MRXNPFEDSA-N 1 0 399.513 0.822 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)cc1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262005380 1193935542 /nfs/dbraw/zinc/93/55/42/1193935542.db2.gz VNGOMKMIVJUWKH-HNNXBMFYSA-N 1 0 389.481 0.958 20 30 GCEDRO C[NH+]=C(NCc1cccc(O)c1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000262018931 1193935859 /nfs/dbraw/zinc/93/58/59/1193935859.db2.gz VZLOWUAZXOHNSF-UHFFFAOYSA-N 1 0 393.469 0.603 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262012708 1193936039 /nfs/dbraw/zinc/93/60/39/1193936039.db2.gz XASCCRRFXOMQBF-HKUYNNGSSA-N 1 0 389.548 0.896 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCC(=O)N(C)C1)N[C@H]1CCOc2ccccc21 ZINC000262302380 1193944509 /nfs/dbraw/zinc/94/45/09/1193944509.db2.gz OAMDMXITFMYBJG-ZBFHGGJFSA-N 1 0 387.484 0.754 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@H]1CCC(=O)N(C)C1)N[C@H]1CCOc2ccccc21 ZINC000262302379 1193944563 /nfs/dbraw/zinc/94/45/63/1193944563.db2.gz OAMDMXITFMYBJG-HOCLYGCPSA-N 1 0 387.484 0.754 20 30 GCEDRO [NH2+]=C(NC[C@@H](N1CCOCC1)C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000262479851 1193948993 /nfs/dbraw/zinc/94/89/93/1193948993.db2.gz CVPSWGFVJYEFTG-CYBMUJFWSA-N 1 0 387.410 0.176 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000262467919 1193949017 /nfs/dbraw/zinc/94/90/17/1193949017.db2.gz YOURZOFMPCUVHW-OAHLLOKOSA-N 1 0 380.518 0.226 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000262506632 1193949709 /nfs/dbraw/zinc/94/97/09/1193949709.db2.gz AFDULCKWQSMICB-UHFFFAOYSA-N 1 0 379.468 0.763 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262581393 1193951735 /nfs/dbraw/zinc/95/17/35/1193951735.db2.gz QWNHQIHOHNLMDR-KRWDZBQOSA-N 1 0 397.483 0.666 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(Cc2cc(C)on2)CC1 ZINC000262750523 1193954907 /nfs/dbraw/zinc/95/49/07/1193954907.db2.gz BSKIXFVUJIFWCQ-INIZCTEOSA-N 1 0 386.504 0.839 20 30 GCEDRO CC[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262768585 1193955449 /nfs/dbraw/zinc/95/54/49/1193955449.db2.gz GTQYAOINCISRER-UHFFFAOYSA-N 1 0 396.513 0.597 20 30 GCEDRO CC[NH+]=C(NC[C@@]1(C)CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261795972 1193960410 /nfs/dbraw/zinc/96/04/10/1193960410.db2.gz QXFGOCWSLJRMQJ-QGZVFWFLSA-N 1 0 399.517 0.514 20 30 GCEDRO CC[NH+]=C(NC[C@]1(C)CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261795967 1193960539 /nfs/dbraw/zinc/96/05/39/1193960539.db2.gz QXFGOCWSLJRMQJ-KRWDZBQOSA-N 1 0 399.517 0.514 20 30 GCEDRO C[NH+]=C(NC[C@H]1COCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261808827 1194061674 /nfs/dbraw/zinc/06/16/74/1194061674.db2.gz SHCGYKDESLMQJL-INIZCTEOSA-N 1 0 380.876 0.975 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419618174 1194070261 /nfs/dbraw/zinc/07/02/61/1194070261.db2.gz WJXOCUDWORBKRK-LHUBUQBQSA-N 1 0 385.468 0.874 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419613828 1194073769 /nfs/dbraw/zinc/07/37/69/1194073769.db2.gz LLZBHHQIMOHHRW-CGZBRXJRSA-N 1 0 385.468 0.970 20 30 GCEDRO N#Cc1cccc(CCNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000419703256 1194083202 /nfs/dbraw/zinc/08/32/02/1194083202.db2.gz DBGLXBPDEYHVLY-OAHLLOKOSA-N 1 0 397.401 0.169 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000419729779 1194089233 /nfs/dbraw/zinc/08/92/33/1194089233.db2.gz MKQHPYAGMARSBM-BPZDKFOGSA-N 1 0 397.479 0.971 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000419732379 1194090011 /nfs/dbraw/zinc/09/00/11/1194090011.db2.gz PFQWFHNXCDIFQM-QUFRXWBVSA-N 1 0 397.479 0.955 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000419856777 1194123050 /nfs/dbraw/zinc/12/30/50/1194123050.db2.gz FTZLPJKDWXJETF-KRWDZBQOSA-N 1 0 383.452 0.589 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419885522 1194133463 /nfs/dbraw/zinc/13/34/63/1194133463.db2.gz KDDGAQJCVJPKBO-GDBMZVCRSA-N 1 0 387.459 0.850 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CCC[NH2+]C1 ZINC000419899749 1194136843 /nfs/dbraw/zinc/13/68/43/1194136843.db2.gz SBFYMSCAMCWVHP-UHOSZYNNSA-N 1 0 383.496 0.727 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419975801 1194150712 /nfs/dbraw/zinc/15/07/12/1194150712.db2.gz LAKQEXSWUMZNOC-SFHVURJKSA-N 1 0 383.496 0.708 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000420011456 1194157214 /nfs/dbraw/zinc/15/72/14/1194157214.db2.gz GUAAAINYKWANQX-IPMKNSEASA-N 1 0 383.496 0.857 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420012706 1194162125 /nfs/dbraw/zinc/16/21/25/1194162125.db2.gz JCCUOYSSBGMDIT-DYVFJYSZSA-N 1 0 382.486 0.044 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420084467 1194174595 /nfs/dbraw/zinc/17/45/95/1194174595.db2.gz MQLGFMQOSZKCFR-ZFWWWQNUSA-N 1 0 385.472 0.019 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420086897 1194175380 /nfs/dbraw/zinc/17/53/80/1194175380.db2.gz ZSNLCIDVEYRCMR-RBZFPXEDSA-N 1 0 383.452 0.492 20 30 GCEDRO C[C@@]1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000420110591 1194180659 /nfs/dbraw/zinc/18/06/59/1194180659.db2.gz WAWCPRMFLRRPPY-OAQYLSRUSA-N 1 0 383.496 0.708 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@]12c1ccccc1NC2=O ZINC000420096324 1194183633 /nfs/dbraw/zinc/18/36/33/1194183633.db2.gz ZMDHGFOLFGEHIH-SOIKWTOOSA-N 1 0 395.463 0.492 20 30 GCEDRO C[C@H]1C[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420120000 1194187066 /nfs/dbraw/zinc/18/70/66/1194187066.db2.gz JRNWCDVWEPRKOC-LPHOPBHVSA-N 1 0 383.496 0.849 20 30 GCEDRO C[C@H]1C[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420120002 1194187295 /nfs/dbraw/zinc/18/72/95/1194187295.db2.gz JRNWCDVWEPRKOC-QFBILLFUSA-N 1 0 383.496 0.849 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420162296 1194191707 /nfs/dbraw/zinc/19/17/07/1194191707.db2.gz KHRWLRCDEGULJV-GOEBONIOSA-N 1 0 399.499 0.280 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000420162298 1194191710 /nfs/dbraw/zinc/19/17/10/1194191710.db2.gz KHRWLRCDEGULJV-HOCLYGCPSA-N 1 0 399.499 0.280 20 30 GCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420140640 1194192415 /nfs/dbraw/zinc/19/24/15/1194192415.db2.gz CFTPPTFVRDMEAF-IVAHSZNUSA-N 1 0 381.436 0.115 20 30 GCEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420166917 1194199606 /nfs/dbraw/zinc/19/96/06/1194199606.db2.gz IQHDBYQLFVBLIT-CYBMUJFWSA-N 1 0 377.876 0.974 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261815484 1194199633 /nfs/dbraw/zinc/19/96/33/1194199633.db2.gz TXEVZDGPDIMIEL-MRXNPFEDSA-N 1 0 399.517 0.657 20 30 GCEDRO N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420198501 1194202503 /nfs/dbraw/zinc/20/25/03/1194202503.db2.gz CNIVYDZXIUZJLS-FGTMMUONSA-N 1 0 381.480 0.711 20 30 GCEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000420206056 1194205538 /nfs/dbraw/zinc/20/55/38/1194205538.db2.gz DUJFNTZESGQSSX-INIZCTEOSA-N 1 0 376.413 0.604 20 30 GCEDRO O=C(NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000420222276 1194209470 /nfs/dbraw/zinc/20/94/70/1194209470.db2.gz RPHPJZZIVTUEHR-MRVPVSSYSA-N 1 0 394.291 0.052 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420212437 1194213549 /nfs/dbraw/zinc/21/35/49/1194213549.db2.gz PALCDGJJCMYQMX-HRCADAONSA-N 1 0 399.470 0.850 20 30 GCEDRO C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261831950 1194278563 /nfs/dbraw/zinc/27/85/63/1194278563.db2.gz VPHLLYSVFUFNSX-MAUKXSAKSA-N 1 0 383.562 0.357 20 30 GCEDRO C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)C1 ZINC000366802305 1194301292 /nfs/dbraw/zinc/30/12/92/1194301292.db2.gz OHIKRIOMJFTMOB-GOSISDBHSA-N 1 0 381.480 0.686 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c(C#N)cn1CC ZINC000421211200 1194306079 /nfs/dbraw/zinc/30/60/79/1194306079.db2.gz IBVBETSOJAIRGB-ZDUSSCGKSA-N 1 0 387.440 0.848 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c(C#N)cn1CC ZINC000421234681 1194308896 /nfs/dbraw/zinc/30/88/96/1194308896.db2.gz FQEXNSXDJXOHKR-GFCCVEGCSA-N 1 0 377.445 0.809 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000421294755 1194324618 /nfs/dbraw/zinc/32/46/18/1194324618.db2.gz HEGOFONBFAZWKH-CQSZACIVSA-N 1 0 384.415 1.374 20 30 GCEDRO C[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261848441 1194355551 /nfs/dbraw/zinc/35/55/51/1194355551.db2.gz XSJLCCQVZBVLQC-JVPBZIDWSA-N 1 0 379.505 0.813 20 30 GCEDRO 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ZINC000423009011 1194717088 /nfs/dbraw/zinc/71/70/88/1194717088.db2.gz BODKVYPLPSMVFB-SFHVURJKSA-N 1 0 383.496 0.790 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)cc1 ZINC000423011548 1194717318 /nfs/dbraw/zinc/71/73/18/1194717318.db2.gz JDYHRDLZTMRSJL-UHFFFAOYSA-N 1 0 395.507 0.805 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423015273 1194717464 /nfs/dbraw/zinc/71/74/64/1194717464.db2.gz QPQKRTUSUJKDPM-RTBURBONSA-N 1 0 381.480 0.413 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000423014656 1194717918 /nfs/dbraw/zinc/71/79/18/1194717918.db2.gz PKPWSKACKZRBHH-UHFFFAOYSA-N 1 0 383.496 0.660 20 30 GCEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423119101 1194728326 /nfs/dbraw/zinc/72/83/26/1194728326.db2.gz DFRIRSQXFZLHDL-SFHVURJKSA-N 1 0 399.495 0.610 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423118712 1194728523 /nfs/dbraw/zinc/72/85/23/1194728523.db2.gz BZUXQPJZTUQJOM-LBPRGKRZSA-N 1 0 384.396 0.014 20 30 GCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000423146290 1194730577 /nfs/dbraw/zinc/73/05/77/1194730577.db2.gz PBBCUQMTCVCMOH-CQSZACIVSA-N 1 0 387.459 0.932 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000423151029 1194731643 /nfs/dbraw/zinc/73/16/43/1194731643.db2.gz ZPMYUAFXCWGHER-UHFFFAOYSA-N 1 0 375.448 0.789 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423158080 1194732623 /nfs/dbraw/zinc/73/26/23/1194732623.db2.gz WEOQSYHPURKVRW-IRXDYDNUSA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000423207207 1194736545 /nfs/dbraw/zinc/73/65/45/1194736545.db2.gz DBEXKQVBMNXFAH-JKSUJKDBSA-N 1 0 385.443 0.414 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000423214696 1194740321 /nfs/dbraw/zinc/74/03/21/1194740321.db2.gz MXVMXQCJQRNVQC-CVEARBPZSA-N 1 0 385.443 0.414 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1C[NH3+] ZINC000423216710 1194740668 /nfs/dbraw/zinc/74/06/68/1194740668.db2.gz QOHLVOIHWLFTNO-ZBFHGGJFSA-N 1 0 387.459 0.789 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC000423218262 1194741141 /nfs/dbraw/zinc/74/11/41/1194741141.db2.gz UJYTUODNCQXBQI-HXUWFJFHSA-N 1 0 385.443 0.558 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423245731 1194743400 /nfs/dbraw/zinc/74/34/00/1194743400.db2.gz JHUZNYZROCXJNA-IBGZPJMESA-N 1 0 399.495 0.039 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000423338416 1194749805 /nfs/dbraw/zinc/74/98/05/1194749805.db2.gz RNCOOMTWXVWAQF-UHOSZYNNSA-N 1 0 383.496 0.809 20 30 GCEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423376320 1194751999 /nfs/dbraw/zinc/75/19/99/1194751999.db2.gz UXVYSWDYUKFMOF-GOSISDBHSA-N 1 0 386.496 0.905 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@]12C(=O)Nc1ccccc12 ZINC000423557052 1194763454 /nfs/dbraw/zinc/76/34/54/1194763454.db2.gz HNXAWOMZYGGHCC-MBIULKOWSA-N 1 0 393.447 0.211 20 30 GCEDRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000423539489 1194765083 /nfs/dbraw/zinc/76/50/83/1194765083.db2.gz IKVBGWIHUFIDCS-HNNXBMFYSA-N 1 0 399.499 0.233 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC(OCCC[NH3+])CC3)C2)cc1 ZINC000423574001 1194768784 /nfs/dbraw/zinc/76/87/84/1194768784.db2.gz ZQBRIDZVNQVRAN-UHFFFAOYSA-N 1 0 386.452 0.504 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CCC[NH2+]CC2)CC1 ZINC000423612306 1194773549 /nfs/dbraw/zinc/77/35/49/1194773549.db2.gz PCOCJLVBXACQHI-UHFFFAOYSA-N 1 0 398.423 0.277 20 30 GCEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)nc1 ZINC000423644516 1194777453 /nfs/dbraw/zinc/77/74/53/1194777453.db2.gz ZMKUKDMOHTULBG-SFHVURJKSA-N 1 0 397.479 0.924 20 30 GCEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000423647764 1194777534 /nfs/dbraw/zinc/77/75/34/1194777534.db2.gz BUZYFMHKIOFXCO-OAHLLOKOSA-N 1 0 392.463 0.575 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)c1C#N ZINC000423651366 1194779399 /nfs/dbraw/zinc/77/93/99/1194779399.db2.gz MAJKIRSCTJZBIL-NEPJUHHUSA-N 1 0 376.486 0.181 20 30 GCEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)nc1 ZINC000423655767 1194780031 /nfs/dbraw/zinc/78/00/31/1194780031.db2.gz BYNYUQGPNNAJIP-MSOLQXFVSA-N 1 0 397.479 0.924 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC([C@@H](C)[NH3+])CC3)CC2)c1C#N ZINC000423656243 1194780462 /nfs/dbraw/zinc/78/04/62/1194780462.db2.gz CJRJZAAQUBEVPU-GFCCVEGCSA-N 1 0 390.513 0.558 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000423662468 1194781403 /nfs/dbraw/zinc/78/14/03/1194781403.db2.gz BOTVWOJUGHAWRY-YTQUADARSA-N 1 0 383.496 0.951 20 30 GCEDRO 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CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423722748 1194788978 /nfs/dbraw/zinc/78/89/78/1194788978.db2.gz PXPXGUZRPWFVAX-PDSXEYIOSA-N 1 0 395.463 0.459 20 30 GCEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000423723219 1194789280 /nfs/dbraw/zinc/78/92/80/1194789280.db2.gz QJPKTYSXCHZGLJ-LBPRGKRZSA-N 1 0 386.412 0.260 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000423740553 1194790853 /nfs/dbraw/zinc/79/08/53/1194790853.db2.gz JEAYPDOYWWFLBK-MRXNPFEDSA-N 1 0 387.459 0.946 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C)[C@H]3C[NH3+])CC2)c1C#N ZINC000423743107 1194790881 /nfs/dbraw/zinc/79/08/81/1194790881.db2.gz VHTYGMXIIIQBRY-IUODEOHRSA-N 1 0 390.513 0.558 20 30 GCEDRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424101261 1194801533 /nfs/dbraw/zinc/80/15/33/1194801533.db2.gz YIIJGQQUFAWFRJ-MRXNPFEDSA-N 1 0 385.534 0.661 20 30 GCEDRO 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(=O)N(C)C)[C@@H](n2ccnn2)C1 ZINC001130034780 1205529729 /nfs/dbraw/zinc/52/97/29/1205529729.db2.gz XTFPXMHYYCRCNG-DFGXFYAUSA-N 1 0 390.488 0.079 20 30 GCEDRO C=C(Cl)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@]23C[C@H]2COC3)n1 ZINC001130209621 1205536552 /nfs/dbraw/zinc/53/65/52/1205536552.db2.gz HPSQQGAZVAJPFW-MRHIQRDNSA-N 1 0 381.864 0.672 20 30 GCEDRO CC[C@@H]1[C@@H](C(=O)NCc2nc([C@H]3CCO[C@H]3CNCC#N)n[nH]2)CC[N@@H+]1C ZINC001130212849 1205536745 /nfs/dbraw/zinc/53/67/45/1205536745.db2.gz HJEBMJXGTPDMTM-XQLPTFJDSA-N 1 0 375.477 0.137 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1 ZINC001130212855 1205536983 /nfs/dbraw/zinc/53/69/83/1205536983.db2.gz HQKLZBVNSYQQSM-FZKCQIBNSA-N 1 0 393.488 0.511 20 30 GCEDRO C=C(C)CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@H]2OCCO[C@H]2C)[nH]1 ZINC001130215688 1205537372 /nfs/dbraw/zinc/53/73/72/1205537372.db2.gz BSHSKPXRCMDXLF-JKQORVJESA-N 1 0 393.488 0.653 20 30 GCEDRO C=CC[NH2+]C[C@@H]1OCC[C@@H]1c1nnc(CNC(=O)[C@@H]2CCO[C@H]2C2CC2)[nH]1 ZINC001130227486 1205538468 /nfs/dbraw/zinc/53/84/68/1205538468.db2.gz ALCDMXISYOBJBG-IVSAIRAKSA-N 1 0 375.473 0.884 20 30 GCEDRO CC#CC[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2CCO[C@H]2CC)n1 ZINC001130229761 1205538743 /nfs/dbraw/zinc/53/87/43/1205538743.db2.gz DPPRSPZNQHBUQW-FZKCQIBNSA-N 1 0 375.473 0.721 20 30 GCEDRO C=CCNC(=O)C[NH2+]C[C@@H]1OCC[C@@H]1c1n[nH]c(CNC(=O)[C@@H]2C[C@H]2CC)n1 ZINC001130238011 1205539107 /nfs/dbraw/zinc/53/91/07/1205539107.db2.gz OEVUWCCYBMSQMN-BARDWOONSA-N 1 0 390.488 0.231 20 30 GCEDRO C=CC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)c1ccncc1 ZINC000805806615 1205544564 /nfs/dbraw/zinc/54/45/64/1205544564.db2.gz RWOBKEYIWLOABP-ZWKOTPCHSA-N 1 0 399.495 0.580 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N[C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C)[C@@H]1CCCO1 ZINC000806225934 1205552381 /nfs/dbraw/zinc/55/23/81/1205552381.db2.gz XXXBCLYWCLPKSK-XDNAFOTISA-N 1 0 379.501 0.537 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001130596869 1205554941 /nfs/dbraw/zinc/55/49/41/1205554941.db2.gz UFBUQCRRHUCBQY-ATLSCFEFSA-N 1 0 389.500 0.421 20 30 GCEDRO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cn(C)cn1 ZINC001130610275 1205555498 /nfs/dbraw/zinc/55/54/98/1205555498.db2.gz FWFCGKNBUAYINZ-ONIAQPFYSA-N 1 0 378.473 0.311 20 30 GCEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC1COC(C)(C)OC1 ZINC000806651165 1205560406 /nfs/dbraw/zinc/56/04/06/1205560406.db2.gz DDWWDTVETHMXQY-UHFFFAOYSA-N 1 0 388.468 0.716 20 30 GCEDRO C#CCC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000747405318 1205585311 /nfs/dbraw/zinc/58/53/11/1205585311.db2.gz YKYTZDBWCXSKAF-LJQANCHMSA-N 1 0 390.528 0.304 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3C=C[C@H]2CC3)C[C@H]1c1cncn1C ZINC001130995937 1205585381 /nfs/dbraw/zinc/58/53/81/1205585381.db2.gz SNMPRWYLVVZGIU-RHQZKXFESA-N 1 0 395.507 0.656 20 30 GCEDRO C=CCOCC[NH2+][C@@H]1CN(C(=O)[C@H]2OCCO[C@H]2C)C[C@H]1c1cncn1C ZINC001131010111 1205586772 /nfs/dbraw/zinc/58/67/72/1205586772.db2.gz ANEHAAVQXYTCAG-LHHMISFZSA-N 1 0 378.473 0.311 20 30 GCEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@]23CCC[C@H]2OCC3)C[C@H]1c1cncn1C ZINC001131025910 1205588545 /nfs/dbraw/zinc/58/85/45/1205588545.db2.gz JWZNAPNWKGXELJ-ZJSJBZJDSA-N 1 0 386.496 0.913 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCCC)C1 ZINC001131072453 1205591585 /nfs/dbraw/zinc/59/15/85/1205591585.db2.gz ZRLNWHXZJBNRDR-KONPQCLYSA-N 1 0 389.500 0.421 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NCC)C1 ZINC001131086450 1205594172 /nfs/dbraw/zinc/59/41/72/1205594172.db2.gz PDTXREOSKALOPS-MKSNKDDYSA-N 1 0 389.500 0.421 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(C)C)C1 ZINC001131086128 1205594187 /nfs/dbraw/zinc/59/41/87/1205594187.db2.gz HPKDFXCYUFUVJR-MKSNKDDYSA-N 1 0 389.500 0.374 20 30 GCEDRO C=CCOCC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCCO[C@H]2C)CC1 ZINC001131515433 1205615125 /nfs/dbraw/zinc/61/51/25/1205615125.db2.gz JSSWJSZZVMNYBB-NQYYFHDYSA-N 1 0 382.501 0.979 20 30 GCEDRO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)CC1 ZINC001131531927 1205616397 /nfs/dbraw/zinc/61/63/97/1205616397.db2.gz PUZWCIOFFPEWDP-XSYGEPLQSA-N 1 0 391.512 0.809 20 30 GCEDRO CC[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1 ZINC001131535482 1205618022 /nfs/dbraw/zinc/61/80/22/1205618022.db2.gz FQCXFPBSRIYINL-VXNCWWDNSA-N 1 0 392.500 0.427 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001131570139 1205618360 /nfs/dbraw/zinc/61/83/60/1205618360.db2.gz CPTHTYYMAWSUKQ-KLBVCGFUSA-N 1 0 389.496 0.289 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NC2CC2)CC1 ZINC001131567237 1205618402 /nfs/dbraw/zinc/61/84/02/1205618402.db2.gz GBBYEBNLUJELPC-XSYGEPLQSA-N 1 0 391.512 0.842 20 30 GCEDRO 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ZINC001173495788 1205721383 /nfs/dbraw/zinc/72/13/83/1205721383.db2.gz NCXLGGMYDWKXCU-HNKHHVNMSA-N 1 0 375.425 0.659 20 30 GCEDRO N#C[C@@H]1CNCCN1C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173696019 1205726797 /nfs/dbraw/zinc/72/67/97/1205726797.db2.gz OVSWCXRKYOOHGH-CQSZACIVSA-N 1 0 379.442 0.545 20 30 GCEDRO C[NH+](C)CCCNC(=O)c1ccc(-n2c(N)c(C#N)c(N)nc2=NC2CC2)cc1 ZINC001175819986 1205741879 /nfs/dbraw/zinc/74/18/79/1205741879.db2.gz NLEBLAHLXYILEL-UHFFFAOYSA-N 1 0 394.483 0.653 20 30 GCEDRO CCOC(=O)CON=C(C(=O)n1ccc([C@H]2CCC[NH2+]2)nc1=N)c1ccn[nH]1 ZINC001177258267 1205764924 /nfs/dbraw/zinc/76/49/24/1205764924.db2.gz CEFITJUCOYNKFM-ZKXFPGLSSA-N 1 0 387.400 0.134 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)NC1CCC(C[NH+](C)C)CC1)c1cc[nH]n1 ZINC001177266687 1205766056 /nfs/dbraw/zinc/76/60/56/1205766056.db2.gz NSLYRIMTOQEXMG-XLNRJJMWSA-N 1 0 379.461 0.930 20 30 GCEDRO CO/N=C(\C(=O)N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1)c1ccco1 ZINC001177351140 1205768322 /nfs/dbraw/zinc/76/83/22/1205768322.db2.gz QMXAPHCEIQKZOH-SILNSSARSA-N 1 0 389.412 0.494 20 30 GCEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(C(=O)Cc2ccnc(C#N)c2)CC3)CC1 ZINC001177667791 1205773725 /nfs/dbraw/zinc/77/37/25/1205773725.db2.gz XYTABVZGNPUWLR-UHFFFAOYSA-N 1 0 379.468 0.482 20 30 GCEDRO Cn1nnc2c1CCN(C(=O)C#Cc1cccnc1)[C@H]2COCC[NH+]1CCCC1 ZINC001177777721 1205775287 /nfs/dbraw/zinc/77/52/87/1205775287.db2.gz SIPUTTGLSQGVIQ-IBGZPJMESA-N 1 0 394.479 0.800 20 30 GCEDRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)C#Cc1cccnc1)CC2 ZINC001177776944 1205775322 /nfs/dbraw/zinc/77/53/22/1205775322.db2.gz IIZZUXSDTBWFSG-UHFFFAOYSA-N 1 0 383.496 0.130 20 30 GCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179224450 1205806444 /nfs/dbraw/zinc/80/64/44/1205806444.db2.gz KEIGXTBKIRIUBX-HOCLYGCPSA-N 1 0 392.500 0.879 20 30 GCEDRO CN1CCO[C@@H](C(=O)N2CCC[C@]3(C2)COCCN(c2cccc(C#N)n2)C3)C1 ZINC001180761113 1205830150 /nfs/dbraw/zinc/83/01/50/1205830150.db2.gz WSVLGIKTJBSHJH-NQIIRXRSSA-N 1 0 399.495 0.729 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@@H]2C[N@H+](C)C[C@H]12 ZINC001181443389 1205844008 /nfs/dbraw/zinc/84/40/08/1205844008.db2.gz UWVLLCYHUXCSEC-JSQNDZKTSA-N 1 0 376.482 0.681 20 30 GCEDRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cc1ccccc1C#N)CC2 ZINC001181798923 1205850217 /nfs/dbraw/zinc/85/02/17/1205850217.db2.gz RPZZTXMNZZBZOF-UHFFFAOYSA-N 1 0 397.523 0.798 20 30 GCEDRO C[NH+](C)C1CN(C(=O)[C@@H]2C[C@@H](OS(C)(=O)=O)CN2C(=O)OC(C)(C)C)C1 ZINC001182145651 1205858024 /nfs/dbraw/zinc/85/80/24/1205858024.db2.gz KKJAJJLKBFXGSE-OLZOCXBDSA-N 1 0 391.490 0.113 20 30 GCEDRO N#CCSCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC001110300773 1205870194 /nfs/dbraw/zinc/87/01/94/1205870194.db2.gz MLQNKKNZKJITEM-LPWJVIDDSA-N 1 0 381.420 0.904 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC(=O)NC[C@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001183043039 1205885608 /nfs/dbraw/zinc/88/56/08/1205885608.db2.gz KEXGRVRDNDLKJF-FQEVSTJZSA-N 1 0 392.500 0.976 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001183043153 1205885637 /nfs/dbraw/zinc/88/56/37/1205885637.db2.gz LNQMAPKSOQVFGV-KURKYZTESA-N 1 0 377.485 0.913 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(C1)COCCN(CC(=O)NC)C2 ZINC001183043273 1205885724 /nfs/dbraw/zinc/88/57/24/1205885724.db2.gz ONAZIKVLIJLCPA-FQEVSTJZSA-N 1 0 378.517 0.325 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001183043465 1205885759 /nfs/dbraw/zinc/88/57/59/1205885759.db2.gz SJCPGGRMSUUBAI-FXAWDEMLSA-N 1 0 379.501 0.893 20 30 GCEDRO CC(C)[C@@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)[C@@H]2CN(c3cccc(C#N)c3)C(=O)O2)O1 ZINC001184382412 1205908854 /nfs/dbraw/zinc/90/88/54/1205908854.db2.gz UAWOMGHZHWXHMA-XLMAVXFVSA-N 1 0 388.424 0.724 20 30 GCEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1cccs1 ZINC000774851862 1205920987 /nfs/dbraw/zinc/92/09/87/1205920987.db2.gz CKEFYLIVMYQIGT-AWEZNQCLSA-N 1 0 386.481 0.962 20 30 GCEDRO COCC#CC[NH2+]C[C@H]1CN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC12CCOCC2 ZINC001186424909 1205939874 /nfs/dbraw/zinc/93/98/74/1205939874.db2.gz MVVLQRABCVSAFQ-ROMHJBHXSA-N 1 0 388.508 0.904 20 30 GCEDRO C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@H](NC(=O)Cc1cc(C)on1)C2 ZINC001110397365 1205973810 /nfs/dbraw/zinc/97/38/10/1205973810.db2.gz FLQGHTCVTGOTQV-KFWWJZLASA-N 1 0 375.429 0.259 20 30 GCEDRO COC(=O)c1cc(C#N)cnc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164749651 720800015 /nfs/dbraw/zinc/80/00/15/720800015.db2.gz UKIYBKNQVWYQRG-CABCVRRESA-N 1 0 380.408 0.872 20 30 GCEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752054 720801641 /nfs/dbraw/zinc/80/16/41/720801641.db2.gz YLGBEAKHPLLWEM-UONOGXRCSA-N 1 0 376.424 0.914 20 30 GCEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1nc(Cl)cnc1C#N)CC2 ZINC001164751500 720949200 /nfs/dbraw/zinc/94/92/00/720949200.db2.gz SQWYMOJZPBVRJB-UHFFFAOYSA-N 1 0 375.820 0.844 20 30 GCEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc([N+](=O)[O-])cc2C#N)CC3)CC1 ZINC001164794443 721512638 /nfs/dbraw/zinc/51/26/38/721512638.db2.gz PLPUJFQBGZUHRJ-UHFFFAOYSA-N 1 0 382.428 0.826 20 30 GCEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(C#N)c(C#N)nc2Cl)CC3)CC1 ZINC001164794217 721513752 /nfs/dbraw/zinc/51/37/52/721513752.db2.gz LENVBEOSIPBWQN-UHFFFAOYSA-N 1 0 397.874 0.837 20 30 GCEDRO C#CCN(C(=O)c1ccn(C)n1)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573281727 946678881 /nfs/dbraw/zinc/67/88/81/946678881.db2.gz AXXBGKNLMRYJGX-UHFFFAOYSA-N 1 0 391.439 0.740 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@H](Nc3ccc(-c4nn[nH]n4)cn3)C2)CC1 ZINC001573282513 946693218 /nfs/dbraw/zinc/69/32/18/946693218.db2.gz JSALKEXSOMYRLG-WKILWMFISA-N 1 0 380.456 0.666 20 30 GCEDRO C#CCCCCCC(=O)N1CCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573283043 946705869 /nfs/dbraw/zinc/70/58/69/946705869.db2.gz RBKYBIAKFIODNK-HNNXBMFYSA-N 1 0 383.456 0.907 20 30 GCEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573284948 946761942 /nfs/dbraw/zinc/76/19/42/946761942.db2.gz AWQWYBDPSKQBPH-QWHCGFSZSA-N 1 0 386.431 0.981 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573285241 946773961 /nfs/dbraw/zinc/77/39/61/946773961.db2.gz FVQMXEHUOKQFCY-QAPCUYQASA-N 1 0 381.484 0.901 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573285242 946774040 /nfs/dbraw/zinc/77/40/40/946774040.db2.gz FVQMXEHUOKQFCY-YJBOKZPZSA-N 1 0 381.484 0.901 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573285668 946785174 /nfs/dbraw/zinc/78/51/74/946785174.db2.gz KTSCIENCUIMNKN-AWEZNQCLSA-N 1 0 385.472 0.927 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573285658 946785577 /nfs/dbraw/zinc/78/55/77/946785577.db2.gz KNFJOQHGTDMVCO-JKIFEVAISA-N 1 0 381.440 0.646 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573286136 946797146 /nfs/dbraw/zinc/79/71/46/946797146.db2.gz UQWCMRXPZSZECL-IIYDPXPESA-N 1 0 386.431 0.981 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573287238 946833446 /nfs/dbraw/zinc/83/34/46/946833446.db2.gz MLLNCJFYNFLERJ-CQSZACIVSA-N 1 0 386.431 0.984 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573288659 946874142 /nfs/dbraw/zinc/87/41/42/946874142.db2.gz XHRCLUYVHCABAZ-VBNZEHGJSA-N 1 0 384.440 0.650 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573561821 946966583 /nfs/dbraw/zinc/96/65/83/946966583.db2.gz NRLHQOXMYTYUJC-AAEUAGOBSA-N 1 0 375.408 0.417 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](C)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573293848 946969688 /nfs/dbraw/zinc/96/96/88/946969688.db2.gz LUVDTPYXSOHGDF-CYBMUJFWSA-N 1 0 388.476 0.670 20 30 GCEDRO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573294184 946979474 /nfs/dbraw/zinc/97/94/74/946979474.db2.gz XPFXWRDGGBCUCO-OAHLLOKOSA-N 1 0 384.488 0.993 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573295009 947004048 /nfs/dbraw/zinc/00/40/48/947004048.db2.gz NCADXPJFHYKNBR-GFOFROLCSA-N 1 0 383.456 0.924 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573566298 947025129 /nfs/dbraw/zinc/02/51/29/947025129.db2.gz AUTVJHFPYCJUOJ-CHWSQXEVSA-N 1 0 389.485 0.873 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568082 947065715 /nfs/dbraw/zinc/06/57/15/947065715.db2.gz XGZAVHMSLVUXQT-OCCSQVGLSA-N 1 0 387.419 0.873 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001573572092 947108074 /nfs/dbraw/zinc/10/80/74/947108074.db2.gz FBUFFHGTELOFBY-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001573573047 947118820 /nfs/dbraw/zinc/11/88/20/947118820.db2.gz LMNQIRWNZYSWHC-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOCC1 ZINC001573573375 947121066 /nfs/dbraw/zinc/12/10/66/947121066.db2.gz MZVJHQRNOLZGAY-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C=C[C@@](C)(O)CC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573309729 947208647 /nfs/dbraw/zinc/20/86/47/947208647.db2.gz NNSGEPDFVYVADL-QFBILLFUSA-N 1 0 385.472 0.968 20 30 GCEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573584267 947215793 /nfs/dbraw/zinc/21/57/93/947215793.db2.gz SHHUPKOKYQMPKI-RYUDHWBXSA-N 1 0 375.458 0.795 20 30 GCEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573335667 947484443 /nfs/dbraw/zinc/48/44/43/947484443.db2.gz SBCIOPLABYSHDD-ZDUSSCGKSA-N 1 0 386.460 0.329 20 30 GCEDRO C=CCn1cc(C(=O)N(C)CCN(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573348803 947590099 /nfs/dbraw/zinc/59/00/99/947590099.db2.gz WSFNDVZSRRDFDZ-UHFFFAOYSA-N 1 0 382.432 0.556 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350593 947598323 /nfs/dbraw/zinc/59/83/23/947598323.db2.gz HERRCSRSUCQABI-CYBMUJFWSA-N 1 0 381.444 0.800 20 30 GCEDRO CC#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)C[C@H]1c1cnn(C)c1 ZINC001573358107 947656984 /nfs/dbraw/zinc/65/69/84/947656984.db2.gz FNBXKQVTEVTADF-GOEBONIOSA-N 1 0 379.428 0.149 20 30 GCEDRO C[C@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571152595 952682949 /nfs/dbraw/zinc/68/29/49/952682949.db2.gz GZEQECKRJFAYFD-HLUHBDAQSA-N 1 0 380.334 0.644 20 30 GCEDRO C[C@@H](C#N)C(=O)N1C[C@@H](C(F)(F)F)[C@H](Nc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571152596 952683439 /nfs/dbraw/zinc/68/34/39/952683439.db2.gz GZEQECKRJFAYFD-MKPLZMMCSA-N 1 0 380.334 0.644 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261944788 530131034 /nfs/dbraw/zinc/13/10/34/530131034.db2.gz FKWNXNLNGXEIKT-UHFFFAOYSA-N 1 0 387.527 0.545 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(NCc1cccs1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262298169 530132999 /nfs/dbraw/zinc/13/29/99/530132999.db2.gz MXCWWODWTOIXFJ-UHFFFAOYSA-N 1 0 386.543 0.791 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000409508590 530229772 /nfs/dbraw/zinc/22/97/72/530229772.db2.gz SEXYEDPDJLMROP-GJZGRUSLSA-N 1 0 376.548 0.605 20 30 GCEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000550435718 530248087 /nfs/dbraw/zinc/24/80/87/530248087.db2.gz RZWIDKJBKAPFKE-ZDUSSCGKSA-N 1 0 376.276 0.912 20 30 GCEDRO C[N@@H+]1CC[C@](O)(CNS(=O)(=O)c2cc(Br)c(C#N)cc2F)C1 ZINC000451403562 530254706 /nfs/dbraw/zinc/25/47/06/530254706.db2.gz ZZKXINJTECQUPY-ZDUSSCGKSA-N 1 0 392.250 0.805 20 30 GCEDRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000582332092 530327517 /nfs/dbraw/zinc/32/75/17/530327517.db2.gz UBTOBRJHEPDZBG-LSDHHAIUSA-N 1 0 382.511 0.341 20 30 GCEDRO C[NH+](C)[C@@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCSC1 ZINC000290401466 530364393 /nfs/dbraw/zinc/36/43/93/530364393.db2.gz OSKULBZAOFUAQI-MRXNPFEDSA-N 1 0 382.511 0.390 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1Br ZINC000583154447 530334346 /nfs/dbraw/zinc/33/43/46/530334346.db2.gz BMKYIOPBFFTCBP-GWCFXTLKSA-N 1 0 399.270 0.253 20 30 GCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)COc2ccc(I)cc2)N1 ZINC000284920975 530387986 /nfs/dbraw/zinc/38/79/86/530387986.db2.gz BUGXQGVAEHARNN-MWLCHTKSSA-N 1 0 375.210 0.968 20 30 GCEDRO CN1CC[NH+]=C1NC[C@@H](O)COc1ccc(I)cc1 ZINC000284959585 530388370 /nfs/dbraw/zinc/38/83/70/530388370.db2.gz FHRQYPYUDUUPBH-LLVKDONJSA-N 1 0 375.210 0.922 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000594626433 530432282 /nfs/dbraw/zinc/43/22/82/530432282.db2.gz PWVRERUBNKSILO-ZDUSSCGKSA-N 1 0 386.499 0.251 20 30 GCEDRO C[C@@H](CNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1)C[NH+](C)C ZINC000594626790 530432290 /nfs/dbraw/zinc/43/22/90/530432290.db2.gz CXULXHOLZVLVPP-ZDUSSCGKSA-N 1 0 388.515 0.307 20 30 GCEDRO C[C@@H](CNS(=O)(=O)c1ccccc1S(=O)(=O)NC(C)(C)C#N)[NH+](C)C ZINC000594634898 530436331 /nfs/dbraw/zinc/43/63/31/530436331.db2.gz AXOOOPUHXZLCDF-LBPRGKRZSA-N 1 0 388.515 0.495 20 30 GCEDRO N#C[C@H](c1ccc(Br)cc1)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000599067315 530466087 /nfs/dbraw/zinc/46/60/87/530466087.db2.gz ZSSIIINHDOKICK-GFCCVEGCSA-N 1 0 389.261 0.846 20 30 GCEDRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@H]1[NH+](C)C ZINC000291498354 530492861 /nfs/dbraw/zinc/49/28/61/530492861.db2.gz RVDDXSZGVTVLLT-CABCVRRESA-N 1 0 382.511 0.341 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572319497 530511836 /nfs/dbraw/zinc/51/18/36/530511836.db2.gz XGNCNXCBJPFVSC-UONOGXRCSA-N 1 0 386.499 0.177 20 30 GCEDRO O=C(NCCS(=O)(=O)N1CCSCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000328665515 530517219 /nfs/dbraw/zinc/51/72/19/530517219.db2.gz ZFAWPBCDBXLMSX-CYBMUJFWSA-N 1 0 376.548 0.353 20 30 GCEDRO CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000328663131 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C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN(C)S(C)(=O)=O)C1 ZINC001104704241 1188007333 /nfs/dbraw/zinc/00/73/33/1188007333.db2.gz NZPUDHRLRMJLLD-VQHPVUNQSA-N 1 0 387.546 0.543 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NC[C@@H]3CCCS(=O)(=O)C3)=[NH+]C[C@@H]2C1 ZINC000376620261 1188011968 /nfs/dbraw/zinc/01/19/68/1188011968.db2.gz CCFSRXZDWUDUEH-UONOGXRCSA-N 1 0 386.518 0.692 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1O ZINC001025712626 1188025577 /nfs/dbraw/zinc/02/55/77/1188025577.db2.gz VNEZEKVCBUACRI-VQHPVUNQSA-N 1 0 377.485 0.141 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000415303608 1188026491 /nfs/dbraw/zinc/02/64/91/1188026491.db2.gz SNIAWTCFYLTYLV-CQSZACIVSA-N 1 0 380.470 0.252 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1F ZINC000415325711 1188035283 /nfs/dbraw/zinc/03/52/83/1188035283.db2.gz GZRLRRUVEHNLSR-CYBMUJFWSA-N 1 0 387.415 0.306 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)NCCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000415330471 1188043335 /nfs/dbraw/zinc/04/33/35/1188043335.db2.gz NXRPSLSOFQJSKW-UHFFFAOYSA-N 1 0 399.373 0.459 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000415359912 1188060143 /nfs/dbraw/zinc/06/01/43/1188060143.db2.gz LILHVXDODGNJCO-OAHLLOKOSA-N 1 0 394.497 0.642 20 30 GCEDRO N#Cc1ccc(Cl)c(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000415366345 1188064588 /nfs/dbraw/zinc/06/45/88/1188064588.db2.gz DWNACPAZPAUSGL-LBPRGKRZSA-N 1 0 377.832 0.464 20 30 GCEDRO C=C(C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000549264614 1188068328 /nfs/dbraw/zinc/06/83/28/1188068328.db2.gz JEOWYRJKWUZDDV-UHFFFAOYSA-N 1 0 398.515 0.999 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000415396213 1188069980 /nfs/dbraw/zinc/06/99/80/1188069980.db2.gz NUWLRNAPABQFTK-LBPRGKRZSA-N 1 0 384.415 1.407 20 30 GCEDRO N#Cc1cnn(-c2ccc(C(=O)N3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2)c1N ZINC000377567367 1188076375 /nfs/dbraw/zinc/07/63/75/1188076375.db2.gz OEPHSWUGWXNTFL-ZWKOTPCHSA-N 1 0 380.452 0.997 20 30 GCEDRO N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)n2)cc1 ZINC000415429100 1188078801 /nfs/dbraw/zinc/07/88/01/1188078801.db2.gz QXIMVHBGDMTFHW-QGZVFWFLSA-N 1 0 395.467 1.160 20 30 GCEDRO C[C@@H]1C[NH+](CCCNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H](C)O1 ZINC000583841346 1188085921 /nfs/dbraw/zinc/08/59/21/1188085921.db2.gz PIAUROQTMXZHPT-HUUCEWRRSA-N 1 0 394.497 0.452 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)n2)c(F)c1 ZINC000415467080 1188087416 /nfs/dbraw/zinc/08/74/16/1188087416.db2.gz UUJLIFATXPAIAK-AWEZNQCLSA-N 1 0 399.430 1.202 20 30 GCEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415514899 1188095700 /nfs/dbraw/zinc/09/57/00/1188095700.db2.gz CSLJYBBUTRVPMJ-WCQYABFASA-N 1 0 386.843 1.532 20 30 GCEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2Cl)n1 ZINC000415514901 1188095909 /nfs/dbraw/zinc/09/59/09/1188095909.db2.gz CSLJYBBUTRVPMJ-YPMHNXCESA-N 1 0 386.843 1.532 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@H+]3CC[C@](CO)(C(C)C)C3)CC2)o1 ZINC000377656013 1188096984 /nfs/dbraw/zinc/09/69/84/1188096984.db2.gz UZAZVVJFWAHYIL-IBGZPJMESA-N 1 0 375.473 0.844 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000415519373 1188097134 /nfs/dbraw/zinc/09/71/34/1188097134.db2.gz JNUNVWJBAASVEK-UONOGXRCSA-N 1 0 394.497 0.627 20 30 GCEDRO Cc1cc(C#N)cc(NC(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000415531792 1188099324 /nfs/dbraw/zinc/09/93/24/1188099324.db2.gz VHYSDIQJZLDBSS-QAPCUYQASA-N 1 0 397.479 0.912 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1F ZINC000415696742 1188142702 /nfs/dbraw/zinc/14/27/02/1188142702.db2.gz VCUOLKULPLURCC-ZDUSSCGKSA-N 1 0 387.337 0.588 20 30 GCEDRO C[C@@H](CCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)[NH+]1CCCCC1 ZINC000290348561 1188149692 /nfs/dbraw/zinc/14/96/92/1188149692.db2.gz FVXNJHWMMALQDQ-KRWDZBQOSA-N 1 0 398.511 0.983 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)n2)c(F)c1 ZINC000415824509 1189372797 /nfs/dbraw/zinc/37/27/97/1189372797.db2.gz VSOZWQPZPWWYKJ-OAHLLOKOSA-N 1 0 384.415 1.455 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@@]1(C)C[NH3+] ZINC000415845673 1189379237 /nfs/dbraw/zinc/37/92/37/1189379237.db2.gz WVZMVMVHLYEKSC-CWTRNNRKSA-N 1 0 384.415 1.265 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C[NH3+] ZINC000415852525 1189382189 /nfs/dbraw/zinc/38/21/89/1189382189.db2.gz RBRZQERZHOFSEU-STQMWFEESA-N 1 0 384.415 1.265 20 30 GCEDRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1 ZINC000415854964 1189383074 /nfs/dbraw/zinc/38/30/74/1189383074.db2.gz NWWFAJUAYSHMHX-ZDUSSCGKSA-N 1 0 399.373 0.458 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000415855529 1189386462 /nfs/dbraw/zinc/38/64/62/1189386462.db2.gz BVELEOUMDIBSDI-UHFFFAOYSA-N 1 0 394.497 0.690 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)n2)c(Cl)c1 ZINC000415886016 1189397626 /nfs/dbraw/zinc/39/76/26/1189397626.db2.gz FZYHKRCWKVABIR-KBPBESRZSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)n2)c(F)c1 ZINC000415892560 1189397796 /nfs/dbraw/zinc/39/77/96/1189397796.db2.gz MDAUBOGDBXKPGD-KGLIPLIRSA-N 1 0 382.399 0.889 20 30 GCEDRO CN(CC[NH2+]CC(=O)NCC#Cc1ccccc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001481259239 1189563540 /nfs/dbraw/zinc/56/35/40/1189563540.db2.gz JVKHXCWSWGEXNM-IYWGDAJJSA-N 1 0 381.476 0.626 20 30 GCEDRO N#Cc1ccc(CN2CC[C@H](NC(=O)NCCCN3CC[NH2+]CC3)C2=O)cc1 ZINC000418080568 1189719947 /nfs/dbraw/zinc/71/99/47/1189719947.db2.gz SHAXRECKIUNVDF-SFHVURJKSA-N 1 0 384.484 0.254 20 30 GCEDRO COCC1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC[NH2+]CC1 ZINC000418078292 1189720012 /nfs/dbraw/zinc/72/00/12/1189720012.db2.gz NVRSQOHKHFFRPM-GOSISDBHSA-N 1 0 399.495 0.975 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418388277 1189772843 /nfs/dbraw/zinc/77/28/43/1189772843.db2.gz NERBVIZPUYASJP-AWEZNQCLSA-N 1 0 379.486 0.430 20 30 GCEDRO Cc1ccc(C(=O)N2CCN(C)CC[N@@H+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000888992225 1189788868 /nfs/dbraw/zinc/78/88/68/1189788868.db2.gz BAPZCOIDGCUZOU-UHFFFAOYSA-N 1 0 393.513 0.116 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@H]5CC[C@@H]4O5)[C@@H]3C2)CC1 ZINC000975360135 1189938355 /nfs/dbraw/zinc/93/83/55/1189938355.db2.gz GEMSUUDUVBOZFD-WAPOTWQKSA-N 1 0 385.508 0.958 20 30 GCEDRO C=CCn1cc(C(=O)N2CC[C@@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@@H]32)nn1 ZINC000975736902 1189969655 /nfs/dbraw/zinc/96/96/55/1189969655.db2.gz AJZYLKFALBDGMB-HPFXQQBRSA-N 1 0 386.500 0.867 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594816285 1190053099 /nfs/dbraw/zinc/05/30/99/1190053099.db2.gz GLPGIVSMSAFLHE-GOSISDBHSA-N 1 0 396.513 0.450 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261714139 1193761982 /nfs/dbraw/zinc/76/19/82/1193761982.db2.gz KGJKMQZNIFQIDD-ARFHVFGLSA-N 1 0 377.533 0.791 20 30 GCEDRO C[C@@H](NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000419296412 1193791773 /nfs/dbraw/zinc/79/17/73/1193791773.db2.gz XOTGISNONBNRFH-IUODEOHRSA-N 1 0 397.401 0.688 20 30 GCEDRO CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)CC1 ZINC000429922930 1193801994 /nfs/dbraw/zinc/80/19/94/1193801994.db2.gz XHAJLRJIFWYWJI-UHFFFAOYSA-N 1 0 384.415 1.376 20 30 GCEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261730185 1193813489 /nfs/dbraw/zinc/81/34/89/1193813489.db2.gz LNUIUEWZGIPFHI-INIZCTEOSA-N 1 0 375.521 0.734 20 30 GCEDRO CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261737945 1193837183 /nfs/dbraw/zinc/83/71/83/1193837183.db2.gz KGXMAHXQBWMDSQ-SFHVURJKSA-N 1 0 380.493 0.034 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000419353370 1193849089 /nfs/dbraw/zinc/84/90/89/1193849089.db2.gz CBKOWWDRWVHIGU-OAHLLOKOSA-N 1 0 377.441 0.153 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000419354297 1193851880 /nfs/dbraw/zinc/85/18/80/1193851880.db2.gz DPZYRVNCKRPHDU-INIZCTEOSA-N 1 0 391.468 0.625 20 30 GCEDRO C[NH+]=C(NCCc1sc(C)nc1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261750653 1193865217 /nfs/dbraw/zinc/86/52/17/1193865217.db2.gz NIFGKPPOEAOROB-UHFFFAOYSA-N 1 0 375.502 0.960 20 30 GCEDRO CCOc1ncccc1CNC(=[NH+]C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261760274 1193878592 /nfs/dbraw/zinc/87/85/92/1193878592.db2.gz MVYZSKKVHZCPTH-IBGZPJMESA-N 1 0 388.472 0.866 20 30 GCEDRO C[NH+]=C(NCCc1c(C)noc1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261763424 1193879784 /nfs/dbraw/zinc/87/97/84/1193879784.db2.gz NGHPMDWIUZXVSU-GOSISDBHSA-N 1 0 376.461 0.719 20 30 GCEDRO C[NH+]=C(NC[C@@]1(C)CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261764619 1193880479 /nfs/dbraw/zinc/88/04/79/1193880479.db2.gz NKFIVIHIOHSABW-MRXNPFEDSA-N 1 0 385.490 0.124 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1cccc(C)c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261776773 1193889966 /nfs/dbraw/zinc/88/99/66/1193889966.db2.gz ORYRCIBWSQYVEF-OXJNMPFZSA-N 1 0 387.484 0.914 20 30 GCEDRO CN1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@H+](C)CC1 ZINC000894187272 1193897607 /nfs/dbraw/zinc/89/76/07/1193897607.db2.gz XAEQVZGUXIGXQS-JKSUJKDBSA-N 1 0 394.520 0.634 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612969 1193921192 /nfs/dbraw/zinc/92/11/92/1193921192.db2.gz AINYSGBCKGWECU-CGTJXYLNSA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCN(c2ccccn2)CC1 ZINC000261652504 1193922208 /nfs/dbraw/zinc/92/22/08/1193922208.db2.gz MSORUDFJLPBAMO-UHFFFAOYSA-N 1 0 394.545 0.451 20 30 GCEDRO C[NH+]=C(NCCn1ccnc1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261661306 1193922779 /nfs/dbraw/zinc/92/27/79/1193922779.db2.gz AUCINNNZXCVSEE-INIZCTEOSA-N 1 0 375.521 0.395 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)N[C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261659936 1193922802 /nfs/dbraw/zinc/92/28/02/1193922802.db2.gz FVLDXBYJLBCSDN-CYBMUJFWSA-N 1 0 378.864 0.636 20 30 GCEDRO C[NH+]=C(NCCc1ccccc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261730911 1193923815 /nfs/dbraw/zinc/92/38/15/1193923815.db2.gz JMPUPEQOABHEMB-UHFFFAOYSA-N 1 0 391.497 0.940 20 30 GCEDRO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261748748 1193924625 /nfs/dbraw/zinc/92/46/25/1193924625.db2.gz LOEIDRFEQUYSMW-INIZCTEOSA-N 1 0 386.504 0.929 20 30 GCEDRO C[NH+]=C(NCc1ccccc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261760314 1193925266 /nfs/dbraw/zinc/92/52/66/1193925266.db2.gz MXELGDAOLCGHGC-UHFFFAOYSA-N 1 0 377.470 0.898 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N1CCO[C@@H](COC)C1 ZINC000261775945 1193925822 /nfs/dbraw/zinc/92/58/22/1193925822.db2.gz FAGKGBVJYFEHOK-GOSISDBHSA-N 1 0 389.500 0.258 20 30 GCEDRO [NH2+]=C(NC[C@@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000261775135 1193925928 /nfs/dbraw/zinc/92/59/28/1193925928.db2.gz KUBUMVBTXVSHAX-SFHVURJKSA-N 1 0 393.495 0.962 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261810094 1193927007 /nfs/dbraw/zinc/92/70/07/1193927007.db2.gz SPRSKPXTNILILV-UHFFFAOYSA-N 1 0 386.500 0.033 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000261855681 1193928993 /nfs/dbraw/zinc/92/89/93/1193928993.db2.gz MUQWUSNWZGZWME-WIYYLYMNSA-N 1 0 386.496 0.719 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261936560 1193932519 /nfs/dbraw/zinc/93/25/19/1193932519.db2.gz CNTYQWKKYCIUQR-HUUCEWRRSA-N 1 0 381.502 0.392 20 30 GCEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000261943764 1193932559 /nfs/dbraw/zinc/93/25/59/1193932559.db2.gz FEWMYWKVNFSZRV-OAHLLOKOSA-N 1 0 375.477 0.078 20 30 GCEDRO C[NH+]=C(NC[C@@H](O)c1cc(OC)ccc1OC)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261952111 1193933029 /nfs/dbraw/zinc/93/30/29/1193933029.db2.gz HRWPHAYINCHKAU-OAHLLOKOSA-N 1 0 399.513 0.822 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261958293 1193933219 /nfs/dbraw/zinc/93/32/19/1193933219.db2.gz JKBBJVPWWWLPNK-HOTGVXAUSA-N 1 0 395.529 0.782 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(C)c(F)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261959010 1193933238 /nfs/dbraw/zinc/93/32/38/1193933238.db2.gz JQRNGUUDPXBZJQ-UHFFFAOYSA-N 1 0 398.504 0.948 20 30 GCEDRO CS(=O)(=O)Cc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000261986818 1193934786 /nfs/dbraw/zinc/93/47/86/1193934786.db2.gz KJODCMGBVIKDMJ-UHFFFAOYSA-N 1 0 388.497 0.658 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262012714 1193935934 /nfs/dbraw/zinc/93/59/34/1193935934.db2.gz XASCCRRFXOMQBF-PKOBYXMFSA-N 1 0 389.548 0.896 20 30 GCEDRO O=S1(=O)CC[C@@H](CNC(N[C@H]2CCCN(c3ncccn3)C2)=[NH+]C2CC2)C1 ZINC000262378234 1193946706 /nfs/dbraw/zinc/94/67/06/1193946706.db2.gz JXZUMYTYYIZWSJ-HOCLYGCPSA-N 1 0 392.529 0.578 20 30 GCEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262428116 1193947978 /nfs/dbraw/zinc/94/79/78/1193947978.db2.gz RZAYWFDAVJKLAA-OAHLLOKOSA-N 1 0 396.513 0.828 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262452147 1193948289 /nfs/dbraw/zinc/94/82/89/1193948289.db2.gz WDBWLBOMORISCC-INIZCTEOSA-N 1 0 379.530 0.992 20 30 GCEDRO CCc1cnc(CNC(=[NH+]C)N2CCN(CC(=O)N3CCOCC3)CC2)s1 ZINC000262464526 1193948532 /nfs/dbraw/zinc/94/85/32/1193948532.db2.gz YAMCFHOLWIOQEN-UHFFFAOYSA-N 1 0 394.545 0.257 20 30 GCEDRO C[NH+]=C(N[C@@H]1C[C@@H]1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000262465699 1193948554 /nfs/dbraw/zinc/94/85/54/1193948554.db2.gz YFBODXOBKUELFB-VQTJNVASSA-N 1 0 399.539 0.669 20 30 GCEDRO C[NH+]=C(N[C@H]1C[C@H]1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000262465698 1193948752 /nfs/dbraw/zinc/94/87/52/1193948752.db2.gz YFBODXOBKUELFB-UXHICEINSA-N 1 0 399.539 0.669 20 30 GCEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262573734 1193951206 /nfs/dbraw/zinc/95/12/06/1193951206.db2.gz NRFBIHSDMHHURX-OAHLLOKOSA-N 1 0 394.497 0.604 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(c2ncccn2)CC1 ZINC000262755774 1193954985 /nfs/dbraw/zinc/95/49/85/1193954985.db2.gz DHRQTZJGTAYNLW-INIZCTEOSA-N 1 0 383.504 0.727 20 30 GCEDRO C[NH+]=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@@H]1C[C@@H]1C ZINC000262838455 1193956940 /nfs/dbraw/zinc/95/69/40/1193956940.db2.gz TWRRKZMZWCVVTE-WMLDXEAASA-N 1 0 380.514 0.922 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000982866107 1193980425 /nfs/dbraw/zinc/98/04/25/1193980425.db2.gz MOMLJSMUNOPQGM-LBCBGTHCSA-N 1 0 385.508 0.720 20 30 GCEDRO N#Cc1ccc(OCCNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000419461392 1194042198 /nfs/dbraw/zinc/04/21/98/1194042198.db2.gz HTPIHVIJUNWKTH-MSOLQXFVSA-N 1 0 398.463 0.280 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)nc1 ZINC000419617935 1194069893 /nfs/dbraw/zinc/06/98/93/1194069893.db2.gz VYHOIIHTFFITTG-RYTJFDOTSA-N 1 0 383.452 0.437 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)nc1 ZINC000419620022 1194070244 /nfs/dbraw/zinc/07/02/44/1194070244.db2.gz ZLXWLFLBJDBDFD-MYKUNDNFSA-N 1 0 397.479 0.971 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)nc1 ZINC000419614537 1194073607 /nfs/dbraw/zinc/07/36/07/1194073607.db2.gz NIHCMRWSBUZWHS-VEZWFGLTSA-N 1 0 397.479 0.827 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)CC[NH2+]1 ZINC000419612468 1194073621 /nfs/dbraw/zinc/07/36/21/1194073621.db2.gz IPOGJQNHYNYVGH-UHFFFAOYSA-N 1 0 385.468 0.970 20 30 GCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419715051 1194091174 /nfs/dbraw/zinc/09/11/74/1194091174.db2.gz AAPMIKHWYRWIRM-HOBHPSKFSA-N 1 0 385.468 0.968 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000419843058 1194119446 /nfs/dbraw/zinc/11/94/46/1194119446.db2.gz CPNASZOWCJDOOU-ZUOKHONESA-N 1 0 381.436 0.117 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419843608 1194119783 /nfs/dbraw/zinc/11/97/83/1194119783.db2.gz NALUSUZFXKOKSW-MRXNPFEDSA-N 1 0 392.463 0.623 20 30 GCEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCN1CC[NH2+]CC1 ZINC000419862461 1194125132 /nfs/dbraw/zinc/12/51/32/1194125132.db2.gz GLDQOYPPAKGBHN-UHFFFAOYSA-N 1 0 375.429 0.131 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000419867004 1194126901 /nfs/dbraw/zinc/12/69/01/1194126901.db2.gz QIQCLHYVWXMWTG-QGZVFWFLSA-N 1 0 392.463 0.609 20 30 GCEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419871802 1194127898 /nfs/dbraw/zinc/12/78/98/1194127898.db2.gz QAFOLPZRKSMBNG-UHFFFAOYSA-N 1 0 389.456 0.521 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000419896744 1194135563 /nfs/dbraw/zinc/13/55/63/1194135563.db2.gz NPCMMHDWEHHXTN-OALUTQOASA-N 1 0 383.496 0.979 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000419907532 1194140981 /nfs/dbraw/zinc/14/09/81/1194140981.db2.gz XPJFDTUCEIQHCU-APWZRJJASA-N 1 0 383.496 0.707 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000419952667 1194143895 /nfs/dbraw/zinc/14/38/95/1194143895.db2.gz OXJRIEJJHCYUOL-ZDUSSCGKSA-N 1 0 377.876 0.832 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@]12C(=O)Nc1ccccc12 ZINC000419940930 1194145945 /nfs/dbraw/zinc/14/59/45/1194145945.db2.gz VRKHOLHAUGRSJL-MNVSYLFESA-N 1 0 381.436 0.117 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]2)C[C@]12C(=O)Nc1ccccc12 ZINC000419940928 1194146045 /nfs/dbraw/zinc/14/60/45/1194146045.db2.gz VRKHOLHAUGRSJL-JZKQVHKSSA-N 1 0 381.436 0.117 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419964763 1194148604 /nfs/dbraw/zinc/14/86/04/1194148604.db2.gz GEIPJZZBOLJEIM-HKUYNNGSSA-N 1 0 383.496 0.729 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000419986195 1194152991 /nfs/dbraw/zinc/15/29/91/1194152991.db2.gz XIRQUKWJORWAQJ-OAHLLOKOSA-N 1 0 387.459 0.852 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000420021640 1194158114 /nfs/dbraw/zinc/15/81/14/1194158114.db2.gz UMHBEQWEXZAVBT-OALUTQOASA-N 1 0 383.496 0.836 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000420062488 1194164792 /nfs/dbraw/zinc/16/47/92/1194164792.db2.gz CFPJQDMDWWFWII-QGZVFWFLSA-N 1 0 387.459 0.980 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000420037140 1194165408 /nfs/dbraw/zinc/16/54/08/1194165408.db2.gz LSKBHVSBIHKSDF-SZMVWBNQSA-N 1 0 399.495 0.452 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044469 1194167652 /nfs/dbraw/zinc/16/76/52/1194167652.db2.gz SZUMUHCNVWVLBJ-NVXWUHKLSA-N 1 0 399.495 0.826 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000420050708 1194169996 /nfs/dbraw/zinc/16/99/96/1194169996.db2.gz VKTQOUGGEZYHKM-ZEEWZRGFSA-N 1 0 381.436 0.102 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@]12c1ccccc1NC2=O ZINC000420095968 1194184265 /nfs/dbraw/zinc/18/42/65/1194184265.db2.gz ZMDHGFOLFGEHIH-DAESXHAQSA-N 1 0 395.463 0.492 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420166610 1194198986 /nfs/dbraw/zinc/19/89/86/1194198986.db2.gz QABPBUNJDNAMTQ-UHFFFAOYSA-N 1 0 381.480 0.628 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420212441 1194213225 /nfs/dbraw/zinc/21/32/25/1194213225.db2.gz PALCDGJJCMYQMX-OWCLPIDISA-N 1 0 399.470 0.850 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NCC[N@H+](C)C2CC2)c(C#N)cn1CC ZINC000421212974 1194306528 /nfs/dbraw/zinc/30/65/28/1194306528.db2.gz KWWUNXHCWHIGHT-UHFFFAOYSA-N 1 0 375.429 0.705 20 30 GCEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261837180 1194320587 /nfs/dbraw/zinc/32/05/87/1194320587.db2.gz WEJNGKDLYYXVHC-ROUUACIJSA-N 1 0 377.445 0.373 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]3CCC(=O)NC34CCC4)CC2)o1 ZINC000367112721 1194369177 /nfs/dbraw/zinc/36/91/77/1194369177.db2.gz FSTSUJWVGFERCY-OAHLLOKOSA-N 1 0 386.456 0.294 20 30 GCEDRO CC(=O)N[C@@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103871 1194386361 /nfs/dbraw/zinc/38/63/61/1194386361.db2.gz OHIXSJDUIYNQOC-GOSISDBHSA-N 1 0 385.468 0.185 20 30 GCEDRO CCN1CCC[C@@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474391 1194566135 /nfs/dbraw/zinc/56/61/35/1194566135.db2.gz JZCILFDMNGIZTD-CQSZACIVSA-N 1 0 383.474 0.757 20 30 GCEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261862516 1194576613 /nfs/dbraw/zinc/57/66/13/1194576613.db2.gz ZNNJOIVPRCOWOM-IBGZPJMESA-N 1 0 386.456 0.511 20 30 GCEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261862522 1194576832 /nfs/dbraw/zinc/57/68/32/1194576832.db2.gz ZNNJOIVPRCOWOM-LJQANCHMSA-N 1 0 386.456 0.511 20 30 GCEDRO C[N@H+](CCCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC1 ZINC000422458087 1194649799 /nfs/dbraw/zinc/64/97/99/1194649799.db2.gz UYEZLUIGXCEJEI-UHFFFAOYSA-N 1 0 384.484 0.592 20 30 GCEDRO CC[N@H+](CCOCCO)CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000503391524 1194661274 /nfs/dbraw/zinc/66/12/74/1194661274.db2.gz MDVWQXBKYVNVHJ-MRXNPFEDSA-N 1 0 380.514 0.788 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422529821 1194662939 /nfs/dbraw/zinc/66/29/39/1194662939.db2.gz PRXBACLXIULPTG-QGZVFWFLSA-N 1 0 388.443 0.814 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000423015272 1194717332 /nfs/dbraw/zinc/71/73/32/1194717332.db2.gz QPQKRTUSUJKDPM-RBUKOAKNSA-N 1 0 381.480 0.413 20 30 GCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000423013429 1194717527 /nfs/dbraw/zinc/71/75/27/1194717527.db2.gz MSFONMYHHCQTCH-MRXNPFEDSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)cc1 ZINC000423018338 1194718009 /nfs/dbraw/zinc/71/80/09/1194718009.db2.gz YOTRFEXFGTXBRV-UHFFFAOYSA-N 1 0 395.507 0.805 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CCCO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000423029454 1194719827 /nfs/dbraw/zinc/71/98/27/1194719827.db2.gz AJNBIRVBWUOUTQ-IBGZPJMESA-N 1 0 399.495 0.169 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)cc1 ZINC000423036357 1194720900 /nfs/dbraw/zinc/72/09/00/1194720900.db2.gz KVBMXIZIWNDTIV-UHFFFAOYSA-N 1 0 383.496 0.790 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033829 1194720917 /nfs/dbraw/zinc/72/09/17/1194720917.db2.gz HERVMCSRBRQCEV-LJQANCHMSA-N 1 0 383.496 0.803 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423124842 1194729280 /nfs/dbraw/zinc/72/92/80/1194729280.db2.gz MTIWNHLSTSXTOO-CYBMUJFWSA-N 1 0 398.423 0.405 20 30 GCEDRO CC(C)[NH+](CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)C(C)C ZINC000549963315 1194729313 /nfs/dbraw/zinc/72/93/13/1194729313.db2.gz DBVYZQWAYCRYCS-UHFFFAOYSA-N 1 0 377.493 0.490 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000423148194 1194731108 /nfs/dbraw/zinc/73/11/08/1194731108.db2.gz UUEVZBKFAMFHND-UHFFFAOYSA-N 1 0 387.459 0.804 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@@H]1C[NH3+] ZINC000423144152 1194733638 /nfs/dbraw/zinc/73/36/38/1194733638.db2.gz GDUFKCBTVXBFTQ-CABCVRRESA-N 1 0 387.459 0.789 20 30 GCEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423168133 1194734939 /nfs/dbraw/zinc/73/49/39/1194734939.db2.gz GVSMIDAONHXSLU-GOSISDBHSA-N 1 0 386.496 0.716 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CC[NH2+]1 ZINC000423212379 1194737504 /nfs/dbraw/zinc/73/75/04/1194737504.db2.gz IJGAUCOSZDQVRG-OAHLLOKOSA-N 1 0 392.463 0.575 20 30 GCEDRO C=CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000423212489 1194737611 /nfs/dbraw/zinc/73/76/11/1194737611.db2.gz JOQBVXWIBPVELF-INIZCTEOSA-N 1 0 376.413 0.686 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1C[NH3+] ZINC000423216707 1194740685 /nfs/dbraw/zinc/74/06/85/1194740685.db2.gz QOHLVOIHWLFTNO-GDBMZVCRSA-N 1 0 387.459 0.789 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CC[C@H]([NH3+])C2)CC1 ZINC000423221829 1194741552 /nfs/dbraw/zinc/74/15/52/1194741552.db2.gz YIHJDOPQTYLZCI-HNNXBMFYSA-N 1 0 378.436 0.315 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)[NH2+]1 ZINC000423229139 1194741926 /nfs/dbraw/zinc/74/19/26/1194741926.db2.gz GMCPTRPLQRDDLB-GASCZTMLSA-N 1 0 397.479 0.944 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H](C)[NH2+]1 ZINC000423229141 1194742127 /nfs/dbraw/zinc/74/21/27/1194742127.db2.gz GMCPTRPLQRDDLB-HUUCEWRRSA-N 1 0 397.479 0.944 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000423228851 1194742149 /nfs/dbraw/zinc/74/21/49/1194742149.db2.gz FNKPTMKIMJUKLV-MRXNPFEDSA-N 1 0 383.452 0.685 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000423230346 1194742248 /nfs/dbraw/zinc/74/22/48/1194742248.db2.gz JBCJTDVHOFVTIG-GOSISDBHSA-N 1 0 397.479 0.946 20 30 GCEDRO C=CC1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423307694 1194746230 /nfs/dbraw/zinc/74/62/30/1194746230.db2.gz NPGCCNNENYBRCP-IAGOWNOFSA-N 1 0 376.501 0.518 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423345072 1194748738 /nfs/dbraw/zinc/74/87/38/1194748738.db2.gz XKXAGLZKHHNOGU-QRVBRYPASA-N 1 0 381.480 0.433 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000423346125 1194748932 /nfs/dbraw/zinc/74/89/32/1194748932.db2.gz YKIOLCLTAKQWKO-LPHOPBHVSA-N 1 0 383.496 0.809 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000423337469 1194749909 /nfs/dbraw/zinc/74/99/09/1194749909.db2.gz RAKUWLKGURHUJQ-IBGZPJMESA-N 1 0 395.507 0.825 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000423340726 1194750137 /nfs/dbraw/zinc/75/01/37/1194750137.db2.gz SZRIDURZUMQLDZ-GBESFXJTSA-N 1 0 381.480 0.291 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@]12C(=O)Nc1ccccc12 ZINC000423557036 1194763464 /nfs/dbraw/zinc/76/34/64/1194763464.db2.gz HNXAWOMZYGGHCC-FQSKDFRHSA-N 1 0 393.447 0.211 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000423592058 1194766841 /nfs/dbraw/zinc/76/68/41/1194766841.db2.gz KEWAPOCRACMIQN-QGZVFWFLSA-N 1 0 385.468 0.781 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000423566611 1194767580 /nfs/dbraw/zinc/76/75/80/1194767580.db2.gz JXMCFDXLJWUMNN-QGZVFWFLSA-N 1 0 397.479 0.363 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000423569819 1194768179 /nfs/dbraw/zinc/76/81/79/1194768179.db2.gz TZMJHSVVZCCLMK-DLBZAZTESA-N 1 0 382.464 0.996 20 30 GCEDRO C=CC[C@H]1N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1(C)C ZINC000423578814 1194769843 /nfs/dbraw/zinc/76/98/43/1194769843.db2.gz MPKNGZSTLMQIJX-JKSUJKDBSA-N 1 0 378.517 0.893 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000423594317 1194774797 /nfs/dbraw/zinc/77/47/97/1194774797.db2.gz NTIOLVGDYJRBNU-CYBMUJFWSA-N 1 0 376.486 0.182 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000423622156 1194777958 /nfs/dbraw/zinc/77/79/58/1194777958.db2.gz MEIFFPNKFNEUAJ-CKNLXJGOSA-N 1 0 381.436 0.198 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423675137 1194784191 /nfs/dbraw/zinc/78/41/91/1194784191.db2.gz BEQVMOKKGPRMCV-WJCLWAKDSA-N 1 0 395.463 0.587 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H](C[NH3+])C1 ZINC000423674261 1194784513 /nfs/dbraw/zinc/78/45/13/1194784513.db2.gz PILQGRLGTKNBDK-IAGOWNOFSA-N 1 0 385.468 0.172 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423683402 1194785290 /nfs/dbraw/zinc/78/52/90/1194785290.db2.gz PHMBMRDLAOLYER-APWZRJJASA-N 1 0 383.496 0.931 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423683407 1194785484 /nfs/dbraw/zinc/78/54/84/1194785484.db2.gz PHMBMRDLAOLYER-QFBILLFUSA-N 1 0 383.496 0.931 20 30 GCEDRO CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCC[NH2+]CC1 ZINC000423713409 1194787842 /nfs/dbraw/zinc/78/78/42/1194787842.db2.gz VNYQIXSYUWQIPD-HNNXBMFYSA-N 1 0 387.459 0.946 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000423727518 1194789840 /nfs/dbraw/zinc/78/98/40/1194789840.db2.gz VEHKTAJTQWTISB-CQSZACIVSA-N 1 0 390.513 0.572 20 30 GCEDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)c1 ZINC000424442559 1194811750 /nfs/dbraw/zinc/81/17/50/1194811750.db2.gz ANPFBNQFWLKQMF-CQSZACIVSA-N 1 0 393.451 0.791 20 30 GCEDRO C[C@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cccc(C#N)n3)CC1)CC[NH2+]CC2 ZINC000424498057 1194818148 /nfs/dbraw/zinc/81/81/48/1194818148.db2.gz YQJDPIBGFGUSBL-INIZCTEOSA-N 1 0 396.495 0.592 20 30 GCEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000514228543 1194858281 /nfs/dbraw/zinc/85/82/81/1194858281.db2.gz GPGHXNFZAJAKNI-CHWSQXEVSA-N 1 0 377.445 0.681 20 30 GCEDRO N#Cc1ccsc1N1CC[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000434874578 1194874577 /nfs/dbraw/zinc/87/45/77/1194874577.db2.gz QCIQEVSZGHFNNM-KRWDZBQOSA-N 1 0 391.541 0.705 20 30 GCEDRO C[NH+](C)CCn1cc(NC(=O)[C@H]2CCC3(CN(C(=O)CCS)C3)O2)cn1 ZINC001269874135 1194875413 /nfs/dbraw/zinc/87/54/13/1194875413.db2.gz QUVJFMOAXIZQBY-CQSZACIVSA-N 1 0 381.502 0.463 20 30 GCEDRO C[NH+](C)C1CCN(C(=O)[C@@H]2CCn3nccc3CN2C(=O)CCS)CC1 ZINC001269883336 1194879307 /nfs/dbraw/zinc/87/93/07/1194879307.db2.gz QAKTUOCEHBVMAY-INIZCTEOSA-N 1 0 379.530 0.857 20 30 GCEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434981895 1194880331 /nfs/dbraw/zinc/88/03/31/1194880331.db2.gz MJCVAAOJEQQPOM-SFANZJOMSA-N 1 0 380.533 0.931 20 30 GCEDRO N#CCCn1cc(C[N@H+](CCO)CCN2CCOCC2)c(-c2ccncc2)n1 ZINC000435131826 1194891767 /nfs/dbraw/zinc/89/17/67/1194891767.db2.gz SZMWIRNHGAANAR-UHFFFAOYSA-N 1 0 384.484 0.985 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@H](C#N)Cc2ccc(C#N)cc2)CC1=O ZINC000425319518 1194910831 /nfs/dbraw/zinc/91/08/31/1194910831.db2.gz QCHNVEKTWJMEMQ-RBUKOAKNSA-N 1 0 397.479 0.536 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000515233099 1194959184 /nfs/dbraw/zinc/95/91/84/1194959184.db2.gz NLRJSOFGOXJWEI-HUUCEWRRSA-N 1 0 385.443 0.414 20 30 GCEDRO Cc1ncc(S(=O)(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1C#N ZINC000515312962 1194967776 /nfs/dbraw/zinc/96/77/76/1194967776.db2.gz WEVUCYUJGSLYAT-WBVHZDCISA-N 1 0 377.470 0.187 20 30 GCEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)cc1 ZINC000516467583 1195057018 /nfs/dbraw/zinc/05/70/18/1195057018.db2.gz GERFUVUHYYAAJY-KRWDZBQOSA-N 1 0 390.461 0.854 20 30 GCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000516491578 1195057217 /nfs/dbraw/zinc/05/72/17/1195057217.db2.gz BVCMVFYDDZFLEB-BLLLJJGKSA-N 1 0 398.510 0.249 20 30 GCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000437034710 1195059937 /nfs/dbraw/zinc/05/99/37/1195059937.db2.gz VEYULERGTCQOEU-WMLDXEAASA-N 1 0 375.473 1.186 20 30 GCEDRO CC(=O)N[C@@H](CS)C(=O)N1CCC2(CC[N@H+](CCn3ccnc3)C2)CC1 ZINC001270179253 1195076841 /nfs/dbraw/zinc/07/68/41/1195076841.db2.gz JOEQKZIHIAYBTG-INIZCTEOSA-N 1 0 379.530 0.632 20 30 GCEDRO C=CCNC(=O)CN1CCN(Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000437590654 1195130194 /nfs/dbraw/zinc/13/01/94/1195130194.db2.gz NAODZUSPRKBYJI-UHFFFAOYSA-N 1 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385.468 0.493 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000550439116 1195843898 /nfs/dbraw/zinc/84/38/98/1195843898.db2.gz WYZXBMOUPNHTEJ-FQEVSTJZSA-N 1 0 379.420 0.645 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000521068140 1195959869 /nfs/dbraw/zinc/95/98/69/1195959869.db2.gz NIWVYLHYTHOHOV-MELADBBJSA-N 1 0 398.510 0.059 20 30 GCEDRO Cc1ccc(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000521757373 1196015857 /nfs/dbraw/zinc/01/58/57/1196015857.db2.gz MCFZCGIJWFOMTK-OAHLLOKOSA-N 1 0 393.513 0.163 20 30 GCEDRO C#CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482454693 1196019137 /nfs/dbraw/zinc/01/91/37/1196019137.db2.gz SVCSRTXSTSFWPC-MJQMVNBJSA-N 1 0 377.485 0.148 20 30 GCEDRO N#Cc1ccc(CN2CC[C@@H]([NH2+]C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 ZINC000521952915 1196028237 /nfs/dbraw/zinc/02/82/37/1196028237.db2.gz OFNYAULMOOBPKX-LFDOHDQPSA-N 1 0 381.436 0.770 20 30 GCEDRO 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C#CC[NH+]1CCC(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000895803701 1196112950 /nfs/dbraw/zinc/11/29/50/1196112950.db2.gz JRHLSRNDOHZKHL-UHFFFAOYSA-N 1 0 377.514 0.527 20 30 GCEDRO Cc1noc([C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCC[C@H]4O)CC3)CCN2C)n1 ZINC000329055000 1196160027 /nfs/dbraw/zinc/16/00/27/1196160027.db2.gz LUWYLUCLKYHPET-IXDOHACOSA-N 1 0 392.504 0.958 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000329079297 1196161788 /nfs/dbraw/zinc/16/17/88/1196161788.db2.gz QUFJOBUMKMWUJJ-QYZOEREBSA-N 1 0 377.533 0.474 20 30 GCEDRO CN1CCO[C@@H](CNC(=O)N2CCC(NS(=O)(=O)c3ccccc3)CC2)C1 ZINC000329097088 1196163161 /nfs/dbraw/zinc/16/31/61/1196163161.db2.gz LLKNUBIVSUVQNR-INIZCTEOSA-N 1 0 396.513 0.674 20 30 GCEDRO Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000329152223 1196169668 /nfs/dbraw/zinc/16/96/68/1196169668.db2.gz SXKSLIXJURRVRP-PBHICJAKSA-N 1 0 378.521 0.960 20 30 GCEDRO Cn1cc(-n2cc(C(=O)NC3CC[NH+]([C@H]4CCN(C)C4=O)CC3)ccc2=O)cn1 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393.509 0.957 20 30 GCEDRO C[C@@H]1C[NH+](CC2CCN(C(=O)NCCN3CCNC(=O)C3)CC2)C[C@@H](C)O1 ZINC000329699351 1196222870 /nfs/dbraw/zinc/22/28/70/1196222870.db2.gz GCVYBYMXTRTOGQ-HZPDHXFCSA-N 1 0 381.521 0.994 20 30 GCEDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)N[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000329778047 1196230835 /nfs/dbraw/zinc/23/08/35/1196230835.db2.gz KWYWHABKXDMIOE-BBWFWOEESA-N 1 0 386.562 0.968 20 30 GCEDRO CN1CC[NH+](CC2(C)CCN(C([O-])=[NH+][C@H]3CCc4ncnn4C3)CC2)CC1 ZINC000329835161 1196233747 /nfs/dbraw/zinc/23/37/47/1196233747.db2.gz LHPWBAJWJMDEAZ-INIZCTEOSA-N 1 0 375.521 0.856 20 30 GCEDRO C[C@@H](NC(=O)C[N@H+](C)C1CCN(S(C)(=O)=O)CC1)C(=O)N1CCCCC1 ZINC000329904101 1196237908 /nfs/dbraw/zinc/23/79/08/1196237908.db2.gz QUMLLSGGUVNFBQ-CQSZACIVSA-N 1 0 388.534 0.700 20 30 GCEDRO CS(=O)(=O)N1CCN(CC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329939980 1196241080 /nfs/dbraw/zinc/24/10/80/1196241080.db2.gz FXNKDODDZQELOD-HNNXBMFYSA-N 1 0 388.534 0.021 20 30 GCEDRO 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JKAMHOAKUAHMPX-YJBOKZPZSA-N 1 0 395.525 0.789 20 30 GCEDRO C=CCS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000272960764 1197562603 /nfs/dbraw/zinc/56/26/03/1197562603.db2.gz MCYAFFDJLMADOZ-UHFFFAOYSA-N 1 0 393.509 0.980 20 30 GCEDRO C=CC[C@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000273453464 1197564441 /nfs/dbraw/zinc/56/44/41/1197564441.db2.gz UJPLNUBUHOSTSK-QGZVFWFLSA-N 1 0 390.484 0.750 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@@H](NC(=O)[C@@]2(F)CCOC2)C3)CC1 ZINC000999569020 1198952370 /nfs/dbraw/zinc/95/23/70/1198952370.db2.gz UMIXLWPCRQZBID-NHAYFPRASA-N 1 0 377.460 0.708 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000265718984 1198993106 /nfs/dbraw/zinc/99/31/06/1198993106.db2.gz YGKJKVTUHQNSCK-UHFFFAOYSA-N 1 0 396.469 0.982 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@H](C)CN2CCOCC2)c1 ZINC000265722840 1199018630 /nfs/dbraw/zinc/01/86/30/1199018630.db2.gz MXEQWCNKCZWXSB-HNNXBMFYSA-N 1 0 379.482 0.296 20 30 GCEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c(C#N)c(=O)n(C)c(=O)n1C ZINC000302405430 1199046602 /nfs/dbraw/zinc/04/66/02/1199046602.db2.gz FRVFSWCQQBWMMY-HXUWFJFHSA-N 1 0 383.452 0.029 20 30 GCEDRO N#Cc1cccc(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000108400333 1199046876 /nfs/dbraw/zinc/04/68/76/1199046876.db2.gz VKOGGZACPYAYTK-UHFFFAOYSA-N 1 0 376.482 0.628 20 30 GCEDRO CN(C[C@H](O)C[NH2+]Cc1ccc(OCC#N)cc1)C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC001486289915 1199158299 /nfs/dbraw/zinc/15/82/99/1199158299.db2.gz HPZPIBHAEURFPI-AZQPHWPRSA-N 1 0 385.464 0.921 20 30 GCEDRO C[NH+](C)CCN1CC2(CN(C(=O)C#Cc3ccc(Cl)cc3)C2)OCC1=O ZINC001272951977 1199214582 /nfs/dbraw/zinc/21/45/82/1199214582.db2.gz SISOCMIXZRKTET-UHFFFAOYSA-N 1 0 375.856 0.693 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000672355720 1199215454 /nfs/dbraw/zinc/21/54/54/1199215454.db2.gz DDAYSDLKSJRSFQ-KRWDZBQOSA-N 1 0 376.501 0.660 20 30 GCEDRO 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GCEDRO C#Cc1cncc(C(=O)N2CC[C@@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573291376 946916609 /nfs/dbraw/zinc/91/66/09/946916609.db2.gz BJZHPEFQFCTLFO-HNNXBMFYSA-N 1 0 388.435 0.943 20 30 GCEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[NH2+]CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573293745 946966745 /nfs/dbraw/zinc/96/67/45/946966745.db2.gz IKQYSRQVYJKMNQ-CYBMUJFWSA-N 1 0 388.476 0.670 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573562767 946981527 /nfs/dbraw/zinc/98/15/27/946981527.db2.gz XPHPGRNNAPVRIJ-WCQYABFASA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573565546 947010756 /nfs/dbraw/zinc/01/07/56/947010756.db2.gz RTKVBHDMINXGQB-NSHDSACASA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573566579 947026858 /nfs/dbraw/zinc/02/68/58/947026858.db2.gz DIHZLSCUUMUOEJ-BZNIZROVSA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567683 947052438 /nfs/dbraw/zinc/05/24/38/947052438.db2.gz QVAVODNLIMNKJE-XIKOKIGWSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C(Cl)C[NH2+]C1CCN(CCNC(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573297766 947066007 /nfs/dbraw/zinc/06/60/07/947066007.db2.gz LJADFSPNECLWHN-UHFFFAOYSA-N 1 0 378.868 0.731 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573573476 947121799 /nfs/dbraw/zinc/12/17/99/947121799.db2.gz NXCCXUKPZNPDJE-LLVKDONJSA-N 1 0 375.458 0.531 20 30 GCEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573300941 947125873 /nfs/dbraw/zinc/12/58/73/947125873.db2.gz WTAPQTUBIHWNPP-BLLLJJGKSA-N 1 0 386.460 0.380 20 30 GCEDRO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001573576942 947157398 /nfs/dbraw/zinc/15/73/98/947157398.db2.gz KIISSMBJXBYPBV-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-c2nn[nH]n2)C[C@H]1OC ZINC001573309255 947193977 /nfs/dbraw/zinc/19/39/77/947193977.db2.gz FXEQLFJMFRNSJE-GPMSIDNRSA-N 1 0 386.456 0.509 20 30 GCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573310107 947218491 /nfs/dbraw/zinc/21/84/91/947218491.db2.gz UBDXJQSLSCXDID-KUHUBIRLSA-N 1 0 386.456 0.893 20 30 GCEDRO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573327646 947393685 /nfs/dbraw/zinc/39/36/85/947393685.db2.gz IMDYOGIGMKNZFQ-LJQANCHMSA-N 1 0 386.456 0.895 20 30 GCEDRO C=CCOCC(=O)N1CCO[C@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573343204 947551570 /nfs/dbraw/zinc/55/15/70/947551570.db2.gz KTTJGLNXQXYCPQ-OAHLLOKOSA-N 1 0 390.419 0.525 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@@H](C)N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573351598 947616943 /nfs/dbraw/zinc/61/69/43/947616943.db2.gz TXWVLQZBRVKDJN-GFCCVEGCSA-N 1 0 382.432 0.602 20 30 GCEDRO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124582 952540819 /nfs/dbraw/zinc/54/08/19/952540819.db2.gz NQXZLGWYOCYQQP-YPMHNXCESA-N 1 0 377.412 0.704 20 30 GCEDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cccc(Br)c1C#N ZINC000557836706 530117825 /nfs/dbraw/zinc/11/78/25/530117825.db2.gz XRQRHUBABUAERM-UHFFFAOYSA-N 1 0 376.276 0.913 20 30 GCEDRO C[NH+]=C(NCCNS(C)(=O)=O)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261691337 530129082 /nfs/dbraw/zinc/12/90/82/530129082.db2.gz IMPHSMOYJOVDCK-UHFFFAOYSA-N 1 0 375.445 0.211 20 30 GCEDRO C[NH+]=C(NCCS(C)(=O)=O)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261757773 530129760 /nfs/dbraw/zinc/12/97/60/530129760.db2.gz MPTQTNWCYCRUOO-UHFFFAOYSA-N 1 0 386.905 0.604 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000409508640 530229746 /nfs/dbraw/zinc/22/97/46/530229746.db2.gz SEXYEDPDJLMROP-LSDHHAIUSA-N 1 0 376.548 0.605 20 30 GCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(C#N)c(Br)c1 ZINC000288854772 530261968 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20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(Br)cn(C)c2=O)CC1 ZINC000444522197 530546176 /nfs/dbraw/zinc/54/61/76/530546176.db2.gz VKYFNZFJBPNNIQ-UHFFFAOYSA-N 1 0 397.273 0.853 20 30 GCEDRO C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCNS(=O)(=O)N(C)C)C1 ZINC000331358698 530548096 /nfs/dbraw/zinc/54/80/96/530548096.db2.gz VNLYXVJRKPYICI-ZIAGYGMSSA-N 1 0 377.555 0.643 20 30 GCEDRO C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330882351 530531070 /nfs/dbraw/zinc/53/10/70/530531070.db2.gz ZLZYJCDFJDMNND-AWEZNQCLSA-N 1 0 376.523 0.103 20 30 GCEDRO CNS(=O)(=O)c1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)s1 ZINC000330960595 530534196 /nfs/dbraw/zinc/53/41/96/530534196.db2.gz BFMOQKMQPSMAEI-UHFFFAOYSA-N 1 0 390.531 0.459 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000573103875 530574949 /nfs/dbraw/zinc/57/49/49/530574949.db2.gz FRIDLYJMPBTXIQ-OLZOCXBDSA-N 1 0 388.515 0.448 20 30 GCEDRO CN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000329229835 530608742 /nfs/dbraw/zinc/60/87/42/530608742.db2.gz JOWWMJCDWINRTE-ZFWWWQNUSA-N 1 0 378.564 0.694 20 30 GCEDRO CN(C[C@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1)S(C)(=O)=O ZINC000329231062 530608767 /nfs/dbraw/zinc/60/87/67/530608767.db2.gz KJEFVGKBDURSTF-ZBFHGGJFSA-N 1 0 392.591 0.941 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)N2CCCC[C@@H]2CNS(C)(=O)=O)CCSC1 ZINC000330088829 530626132 /nfs/dbraw/zinc/62/61/32/530626132.db2.gz VDAIJFLGYZXSMI-HIFRSBDPSA-N 1 0 378.564 0.741 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510754629 530819024 /nfs/dbraw/zinc/81/90/24/530819024.db2.gz VQXXFDGRSBTLPZ-HOTGVXAUSA-N 1 0 385.511 0.782 20 30 GCEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000600721792 530822861 /nfs/dbraw/zinc/82/28/61/530822861.db2.gz MDGKQSCYHWUQBO-OAHLLOKOSA-N 1 0 385.511 0.266 20 30 GCEDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)ccc1C#N ZINC000416463272 530846988 /nfs/dbraw/zinc/84/69/88/530846988.db2.gz BLXIZVXRMCRDPQ-UHFFFAOYSA-N 1 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N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000328064009 530907936 /nfs/dbraw/zinc/90/79/36/530907936.db2.gz PUUSETNZSGXXDI-OCCSQVGLSA-N 1 0 382.511 0.889 20 30 GCEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349485556 530878810 /nfs/dbraw/zinc/87/88/10/530878810.db2.gz UTPJSEVPUQCZKU-HUUCEWRRSA-N 1 0 392.547 0.050 20 30 GCEDRO CC[N@H+](CCO)CCNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278659736 530916953 /nfs/dbraw/zinc/91/69/53/530916953.db2.gz FHKPBUPNGQVDGT-UHFFFAOYSA-N 1 0 376.276 0.913 20 30 GCEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278949349 530917261 /nfs/dbraw/zinc/91/72/61/530917261.db2.gz ZEUIWCGHNIMTDV-CYBMUJFWSA-N 1 0 376.276 0.912 20 30 GCEDRO CCN(CCC#N)S(=O)(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000511394190 530936631 /nfs/dbraw/zinc/93/66/31/530936631.db2.gz NAMFXMGLUGHONV-UHFFFAOYSA-N 1 0 376.523 0.526 20 30 GCEDRO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000571701334 530980248 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386.499 0.203 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ncccc3-c3nn[nH]n3)CC2)CC1 ZINC000735426589 598392059 /nfs/dbraw/zinc/39/20/59/598392059.db2.gz SDFRTXVDLUDQPW-UHFFFAOYSA-N 1 0 397.487 0.744 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NC2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000735375394 598446415 /nfs/dbraw/zinc/44/64/15/598446415.db2.gz ZFHQQZLCLGBIHP-UHFFFAOYSA-N 1 0 394.483 0.692 20 30 GCEDRO C#CCN1CCN(C(=O)C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C(C)C)CC1 ZINC000819701670 606374872 /nfs/dbraw/zinc/37/48/72/606374872.db2.gz KUFZAUAITHKWPX-UHFFFAOYSA-N 1 0 381.484 0.855 20 30 GCEDRO NC(=O)c1ccc(N=NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nn1 ZINC000822885993 606768413 /nfs/dbraw/zinc/76/84/13/606768413.db2.gz XNAZGRWINFCCIF-UHFFFAOYSA-N 1 0 392.427 0.820 20 30 GCEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCCc1[nH]nc(N)c1-c1nn[nH]n1 ZINC000823877814 608035033 /nfs/dbraw/zinc/03/50/33/608035033.db2.gz GJDJIAYZUSYKCW-LBPRGKRZSA-N 1 0 375.481 0.850 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2ccccc2CC#N)c1-c1nn[nH]n1 ZINC000826077184 609267480 /nfs/dbraw/zinc/26/74/80/609267480.db2.gz CUIPTAGYXWDGRX-UHFFFAOYSA-N 1 0 379.428 0.989 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262355688 638562003 /nfs/dbraw/zinc/56/20/03/638562003.db2.gz FVHZFLMUOPOBBH-AWEZNQCLSA-N 1 0 391.559 0.430 20 30 GCEDRO CSCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@]2(CCOC2)C1 ZINC000262404612 638568655 /nfs/dbraw/zinc/56/86/55/638568655.db2.gz OIXKHQLXFNQJBV-HOCLYGCPSA-N 1 0 375.560 0.842 20 30 GCEDRO C[NH+](C)CCNC(=S)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000018944378 638716736 /nfs/dbraw/zinc/71/67/36/638716736.db2.gz UTKQOEDKKUBPHK-UHFFFAOYSA-N 1 0 381.527 0.301 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCc1nc(C)c(C)s1 ZINC000262781835 639138006 /nfs/dbraw/zinc/13/80/06/639138006.db2.gz LHDUMRPQHCFNFO-UHFFFAOYSA-N 1 0 391.588 0.804 20 30 GCEDRO C[NH+]1CCN(CCNS(=O)(=O)c2ccc(Br)c(C#N)c2)CC1 ZINC000907141038 639360029 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GCEDRO N#Cc1cc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1Br ZINC000903499981 642183390 /nfs/dbraw/zinc/18/33/90/642183390.db2.gz OZPLBLSWVUIKJH-CYBMUJFWSA-N 1 0 399.314 0.989 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000834480508 642212726 /nfs/dbraw/zinc/21/27/26/642212726.db2.gz RCIZLQGZJIDKRG-ZJUUUORDSA-N 1 0 381.177 0.780 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCn1cnc2ccc(Br)cc2c1=O ZINC000834515606 642213996 /nfs/dbraw/zinc/21/39/96/642213996.db2.gz ACORUYMXQOPDTK-IINYFYTJSA-N 1 0 390.241 0.777 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000843461130 642370714 /nfs/dbraw/zinc/37/07/14/642370714.db2.gz SFDHFGMGOHUZCC-MWLCHTKSSA-N 1 0 376.360 0.211 20 30 GCEDRO C#C[C@@H](C)N(C)S(=O)(=O)CCCCS(=O)(=O)Nc1cc(C)[nH+]cc1C ZINC000848969590 642620700 /nfs/dbraw/zinc/62/07/00/642620700.db2.gz SZPCQFCMWJKCGF-OAHLLOKOSA-N 1 0 387.527 0.926 20 30 GCEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@@H](O)c1cccc(Br)c1 ZINC000848992524 642623782 /nfs/dbraw/zinc/62/37/82/642623782.db2.gz GODYWLTZIZRRDL-OAHLLOKOSA-N 1 0 385.306 0.980 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000423042702 1192178057 /nfs/dbraw/zinc/17/80/57/1192178057.db2.gz ZXVZWSFIOIMJKB-QFIPXVFZSA-N 1 0 395.507 0.947 20 30 GCEDRO C[C@@H]1CN(C[C@H](O)C[NH2+][C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H](C)O1 ZINC000567493714 1192193827 /nfs/dbraw/zinc/19/38/27/1192193827.db2.gz IEFZVJLDSGEHOT-SMOSDQRPSA-N 1 0 386.496 0.719 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)c1C#N ZINC000423722997 1192244134 /nfs/dbraw/zinc/24/41/34/1192244134.db2.gz GPGPDUNENIOJJF-SFHVURJKSA-N 1 0 388.497 0.326 20 30 GCEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418597851 1192347343 /nfs/dbraw/zinc/34/73/43/1192347343.db2.gz QBDUBIOPZHZUCZ-HOCLYGCPSA-N 1 0 391.497 0.572 20 30 GCEDRO Cc1nc2c(C#N)cnn2c(C)c1CCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000265072619 1192360140 /nfs/dbraw/zinc/36/01/40/1192360140.db2.gz UNVSUIHDZLUVLD-CQSZACIVSA-N 1 0 383.500 0.903 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001112532812 1192386578 /nfs/dbraw/zinc/38/65/78/1192386578.db2.gz XYMHKBZMCBHKRH-QOIOWGMHSA-N 1 0 390.484 0.348 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CCNS(C)(=O)=O)C1 ZINC001112532841 1192387208 /nfs/dbraw/zinc/38/72/08/1192387208.db2.gz ZWIQUMPPGDNQCD-DFGXFYAUSA-N 1 0 385.530 0.345 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccc(C#N)cc1 ZINC000585712969 1192395398 /nfs/dbraw/zinc/39/53/98/1192395398.db2.gz WGCGIBYQDFTIBA-QFBILLFUSA-N 1 0 383.496 0.974 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccc(C#N)cc1 ZINC000585712967 1192395631 /nfs/dbraw/zinc/39/56/31/1192395631.db2.gz WGCGIBYQDFTIBA-LPHOPBHVSA-N 1 0 383.496 0.974 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000585725227 1192398504 /nfs/dbraw/zinc/39/85/04/1192398504.db2.gz KHKHXECFWQPURD-HSALFYBXSA-N 1 0 395.507 0.966 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000585725645 1192399319 /nfs/dbraw/zinc/39/93/19/1192399319.db2.gz ZNWYGXVSJCGIPP-SJORKVTESA-N 1 0 382.468 0.345 20 30 GCEDRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@H](C#N)C1 ZINC001745423314 1192490630 /nfs/dbraw/zinc/49/06/30/1192490630.db2.gz LBCHIROQVLMSKF-MRXNPFEDSA-N 1 0 389.504 0.975 20 30 GCEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261626305 1192612534 /nfs/dbraw/zinc/61/25/34/1192612534.db2.gz BXMLMQHDXXHQJJ-KRWDZBQOSA-N 1 0 379.549 0.865 20 30 GCEDRO N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC000512364411 1192633178 /nfs/dbraw/zinc/63/31/78/1192633178.db2.gz FYHAOFQAPGZZAZ-MRXNPFEDSA-N 1 0 394.497 0.455 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418766572 1192641108 /nfs/dbraw/zinc/64/11/08/1192641108.db2.gz NDJUCWWNSDZBOB-ZDUSSCGKSA-N 1 0 386.412 0.626 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)c(F)c1 ZINC000418852109 1192665568 /nfs/dbraw/zinc/66/55/68/1192665568.db2.gz GQYYWLGRHRLAHB-KKSFZXQISA-N 1 0 399.470 0.994 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)c(F)c1 ZINC000418849486 1192665860 /nfs/dbraw/zinc/66/58/60/1192665860.db2.gz BBCUHMWNJCXOER-VKJFTORMSA-N 1 0 385.443 0.603 20 30 GCEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000418851603 1192666339 /nfs/dbraw/zinc/66/63/39/1192666339.db2.gz FVCVKIKHLJTSTI-JKSUJKDBSA-N 1 0 387.459 0.850 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2)c(F)c1 ZINC000418858256 1192668726 /nfs/dbraw/zinc/66/87/26/1192668726.db2.gz VLNRRXSPGFDAMY-LISAXSMJSA-N 1 0 399.470 0.978 20 30 GCEDRO CCC[NH2+]CCNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418857044 1192668785 /nfs/dbraw/zinc/66/87/85/1192668785.db2.gz QYGKEPGFEOEMAA-HNNXBMFYSA-N 1 0 375.448 0.898 20 30 GCEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418857051 1192668998 /nfs/dbraw/zinc/66/89/98/1192668998.db2.gz RAJDMXSBHYWCRR-KMFMINBZSA-N 1 0 387.459 0.897 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000418869487 1192672717 /nfs/dbraw/zinc/67/27/17/1192672717.db2.gz ANYPDQRMCDTYNU-KBXCAEBGSA-N 1 0 397.479 0.756 20 30 GCEDRO N#Cc1ccc(CNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1F ZINC000418892934 1192681592 /nfs/dbraw/zinc/68/15/92/1192681592.db2.gz WRBJBHJVWMEXOQ-OAHLLOKOSA-N 1 0 389.431 0.160 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000418904413 1192685213 /nfs/dbraw/zinc/68/52/13/1192685213.db2.gz JBKXGRZQCADJGA-LXZKKBNFSA-N 1 0 383.452 0.366 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2=O)cc1 ZINC000418908244 1192686502 /nfs/dbraw/zinc/68/65/02/1192686502.db2.gz MNRZVSXLMCIRIH-ZOBUZTSGSA-N 1 0 383.452 0.413 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000418908429 1192687046 /nfs/dbraw/zinc/68/70/46/1192687046.db2.gz MVOCZLZISCVFIC-FUHWJXTLSA-N 1 0 397.479 0.628 20 30 GCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000418908430 1192687081 /nfs/dbraw/zinc/68/70/81/1192687081.db2.gz MVOCZLZISCVFIC-SJLPKXTDSA-N 1 0 397.479 0.628 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H](C)C[NH2+]1 ZINC000418914650 1192687811 /nfs/dbraw/zinc/68/78/11/1192687811.db2.gz UDDQWYYISDPGPB-KEYYUXOJSA-N 1 0 383.452 0.379 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418916044 1192688368 /nfs/dbraw/zinc/68/83/68/1192688368.db2.gz VYKLIVLEHDVRBC-NVXWUHKLSA-N 1 0 385.468 0.804 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC3CCC([NH3+])CC3)C2=O)cc1 ZINC000418917164 1192688816 /nfs/dbraw/zinc/68/88/16/1192688816.db2.gz YCYQXNJNQCDOBR-VMBOVVBDSA-N 1 0 383.452 0.556 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)C2=O)cc1 ZINC000418917526 1192689039 /nfs/dbraw/zinc/68/90/39/1192689039.db2.gz YPJHYJFPCBLETF-UXLLHSPISA-N 1 0 383.452 0.556 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@H]1C[NH3+] ZINC000418917868 1192689563 /nfs/dbraw/zinc/68/95/63/1192689563.db2.gz YWUHUASQPCLGBC-KYJSFNMBSA-N 1 0 397.479 0.613 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@@H]1C[NH3+] ZINC000418913658 1192690363 /nfs/dbraw/zinc/69/03/63/1192690363.db2.gz SQAAHSMWEGXVNZ-FHLIZLRMSA-N 1 0 397.479 0.756 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)C2=O)cc1 ZINC000418917521 1192690294 /nfs/dbraw/zinc/69/02/94/1192690294.db2.gz YPDZOXLRRPEYIL-FUHWJXTLSA-N 1 0 397.479 0.757 20 30 GCEDRO N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)NCC3([NH3+])CCCCC3)C2=O)cc1 ZINC000418960022 1192706211 /nfs/dbraw/zinc/70/62/11/1192706211.db2.gz IJRAKVJLJOAALA-KRWDZBQOSA-N 1 0 397.479 0.553 20 30 GCEDRO O=C(NCC#Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000419110078 1192790681 /nfs/dbraw/zinc/79/06/81/1192790681.db2.gz IBDBDVOAYLYBHB-HNNXBMFYSA-N 1 0 383.370 0.668 20 30 GCEDRO CC[NH+](CC)CC(=O)N1CCN(Cc2nc3ccccc3c(=O)n2CC#N)CC1 ZINC000728930066 1192864716 /nfs/dbraw/zinc/86/47/16/1192864716.db2.gz GYDJCQHURNBDBS-UHFFFAOYSA-N 1 0 396.495 0.906 20 30 GCEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261693183 1192889546 /nfs/dbraw/zinc/88/95/46/1192889546.db2.gz FJLBLORGBMTBLI-LJQANCHMSA-N 1 0 389.504 0.813 20 30 GCEDRO Cc1cc(NC(=O)NCCN2CCN(c3ncccn3)CC2)nn1CCC#N ZINC000512561921 1192904067 /nfs/dbraw/zinc/90/40/67/1192904067.db2.gz NQNKKRMMSRWCBN-UHFFFAOYSA-N 1 0 383.460 0.839 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000579701073 1184096822 /nfs/dbraw/zinc/09/68/22/1184096822.db2.gz VKEAMWNNWHTFID-KRWDZBQOSA-N 1 0 380.514 0.767 20 30 GCEDRO C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000274617045 1184120664 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N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000415751115 1188155743 /nfs/dbraw/zinc/15/57/43/1188155743.db2.gz VSKXSPXEVWWWQA-OLZOCXBDSA-N 1 0 382.399 0.889 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)n1 ZINC000415766887 1188160478 /nfs/dbraw/zinc/16/04/78/1188160478.db2.gz MIVSICZWQNIYAW-IUODEOHRSA-N 1 0 382.399 1.032 20 30 GCEDRO CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C1 ZINC000377891649 1189365028 /nfs/dbraw/zinc/36/50/28/1189365028.db2.gz DPXOTLAYUQHZDR-CQSZACIVSA-N 1 0 381.440 0.926 20 30 GCEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377904318 1189368173 /nfs/dbraw/zinc/36/81/73/1189368173.db2.gz SLVROJKCDZCFNJ-AWEZNQCLSA-N 1 0 399.455 0.550 20 30 GCEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290376785 1189373555 /nfs/dbraw/zinc/37/35/55/1189373555.db2.gz AUEMKLQTEQYZLP-GDBMZVCRSA-N 1 0 376.482 0.922 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)n1 ZINC000415822776 1189374358 /nfs/dbraw/zinc/37/43/58/1189374358.db2.gz NGJGEFMCDIXRQD-HNNXBMFYSA-N 1 0 384.415 1.455 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@H]2C1 ZINC000377937280 1189378598 /nfs/dbraw/zinc/37/85/98/1189378598.db2.gz GDPJNALJORADCC-CJNGLKHVSA-N 1 0 379.424 0.630 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415846042 1189379791 /nfs/dbraw/zinc/37/97/91/1189379791.db2.gz KLBZZJQPMQKMIC-DOMZBBRYSA-N 1 0 381.440 0.829 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@@H]1C[NH3+] ZINC000415852523 1189382434 /nfs/dbraw/zinc/38/24/34/1189382434.db2.gz RBRZQERZHOFSEU-OLZOCXBDSA-N 1 0 384.415 1.265 20 30 GCEDRO C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000377949042 1189387042 /nfs/dbraw/zinc/38/70/42/1189387042.db2.gz UJGGETUJQUMNPY-UHFFFAOYSA-N 1 0 381.440 0.878 20 30 GCEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000415876173 1189392215 /nfs/dbraw/zinc/39/22/15/1189392215.db2.gz CDJICCFMSIJWRJ-GXTWGEPZSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)n1 ZINC000415902314 1189399371 /nfs/dbraw/zinc/39/93/71/1189399371.db2.gz XYVYSUQBXMUKRD-QWHCGFSZSA-N 1 0 382.399 0.889 20 30 GCEDRO CC(C)[NH+]1CCC(O)(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000290593080 1189418288 /nfs/dbraw/zinc/41/82/88/1189418288.db2.gz UOKVWAFUDZDWDJ-UHFFFAOYSA-N 1 0 394.497 0.188 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000290650569 1189429383 /nfs/dbraw/zinc/42/93/83/1189429383.db2.gz AGHMINXHEPMJOL-MRXNPFEDSA-N 1 0 392.481 0.017 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCN2C(=O)CNC2=O)C1 ZINC001104783954 1189438059 /nfs/dbraw/zinc/43/80/59/1189438059.db2.gz BDPMVACRPAOXSD-CBZIJGRNSA-N 1 0 392.500 0.594 20 30 GCEDRO C=CCNC(=O)CN1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000330213886 1189549053 /nfs/dbraw/zinc/54/90/53/1189549053.db2.gz LGNPIJRYFFFMSD-UHFFFAOYSA-N 1 0 389.504 1.442 20 30 GCEDRO COC[C@]1(CNC(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]1 ZINC000418082106 1189720404 /nfs/dbraw/zinc/72/04/04/1189720404.db2.gz WPQATSBOMCFOSI-YLJYHZDGSA-N 1 0 385.468 0.727 20 30 GCEDRO C#CCNC(=O)C[NH+]1CCC(CCNC(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001267945383 1189744397 /nfs/dbraw/zinc/74/43/97/1189744397.db2.gz IPJIQGYASRKVGX-JENIJYKNSA-N 1 0 377.485 0.006 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000418305251 1189755292 /nfs/dbraw/zinc/75/52/92/1189755292.db2.gz YDWLQRHUWHUGJT-UHFFFAOYSA-N 1 0 391.497 0.716 20 30 GCEDRO CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[C@H](CN3CCOCC3)O2)CC[N@@H+]1CC#CCOC ZINC001691488455 1189761147 /nfs/dbraw/zinc/76/11/47/1189761147.db2.gz RYKUBTQRAFDEMR-WCIQWLHISA-N 1 0 393.528 0.485 20 30 GCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000162736985 1189798867 /nfs/dbraw/zinc/79/88/67/1189798867.db2.gz ZJUAOTLLUOQBLC-ICSRJNTNSA-N 1 0 386.496 0.731 20 30 GCEDRO Cc1c(C#N)cccc1NC(=O)C(=O)NCCCC[NH+]1CCC(C(N)=O)CC1 ZINC000432001956 1189833279 /nfs/dbraw/zinc/83/32/79/1189833279.db2.gz SORSGQPPUKTOBR-UHFFFAOYSA-N 1 0 385.468 0.899 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)OCCC[N@@H+]2CCO[C@H](C)C2)cc1 ZINC000893394322 1189879312 /nfs/dbraw/zinc/87/93/12/1189879312.db2.gz UQNIXIZHXWRMDQ-OAHLLOKOSA-N 1 0 380.466 0.866 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CCN(C(=O)[C@]45C[C@H]4COC5)C[C@@H]32)CC1 ZINC000975747519 1189970501 /nfs/dbraw/zinc/97/05/01/1189970501.db2.gz BRWJRTCUNDLUEE-FUOQNJDISA-N 1 0 385.508 0.818 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418571498 1189987599 /nfs/dbraw/zinc/98/75/99/1189987599.db2.gz JTCPYUWBKCIXAX-GDBMZVCRSA-N 1 0 391.497 0.572 20 30 GCEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261703089 1193724573 /nfs/dbraw/zinc/72/45/73/1193724573.db2.gz UFHOORMFIRLVAK-UHFFFAOYSA-N 1 0 384.550 0.764 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[NH2+][C@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000595588903 1193745527 /nfs/dbraw/zinc/74/55/27/1193745527.db2.gz TUWFCPXTSWUGAQ-UYAOXDASSA-N 1 0 392.544 0.836 20 30 GCEDRO N#Cc1ccc([C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C(N)=O)cc1 ZINC000126208200 1193755569 /nfs/dbraw/zinc/75/55/69/1193755569.db2.gz WKCXBVOGRDJEOX-CYBMUJFWSA-N 1 0 390.387 0.988 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1ccc(C#N)cc1 ZINC000419276434 1193780471 /nfs/dbraw/zinc/78/04/71/1193780471.db2.gz FLTSWYSMSDMNCF-RHSMWYFYSA-N 1 0 383.452 0.158 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1 ZINC000419296940 1193792457 /nfs/dbraw/zinc/79/24/57/1193792457.db2.gz YHADZLSOXKQOSS-QAPCUYQASA-N 1 0 397.479 0.406 20 30 GCEDRO CN(C)C(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3cccs3)CC2)C1 ZINC000411943225 1193796134 /nfs/dbraw/zinc/79/61/34/1193796134.db2.gz NEMOHVNGZUXTOI-CVEARBPZSA-N 1 0 389.525 0.867 20 30 GCEDRO CC[NH+]=C(NCc1cccc(CO)c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261731799 1193813319 /nfs/dbraw/zinc/81/33/19/1193813319.db2.gz JNCOXWNRGZBNFF-HXUWFJFHSA-N 1 0 387.484 0.955 20 30 GCEDRO N#Cc1ccc(F)c(CS(=O)(=O)NCCCCN2CC[NH+](CCO)CC2)c1 ZINC000500933206 1193819647 /nfs/dbraw/zinc/81/96/47/1193819647.db2.gz BBBXRFJITIQFTP-UHFFFAOYSA-N 1 0 398.504 0.507 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)N1CCN(CC(=O)NC2CC2)CC1 ZINC000261769876 1193886132 /nfs/dbraw/zinc/88/61/32/1193886132.db2.gz PBSDGQDHKYFPTA-QXAKKESOSA-N 1 0 389.544 0.806 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261780232 1193895820 /nfs/dbraw/zinc/89/58/20/1193895820.db2.gz HKYYPRBWSZRWLE-STQMWFEESA-N 1 0 399.483 0.412 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261780230 1193895890 /nfs/dbraw/zinc/89/58/90/1193895890.db2.gz HKYYPRBWSZRWLE-OLZOCXBDSA-N 1 0 399.483 0.412 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612973 1193921123 /nfs/dbraw/zinc/92/11/23/1193921123.db2.gz AINYSGBCKGWECU-KBAYOESNSA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261621756 1193921729 /nfs/dbraw/zinc/92/17/29/1193921729.db2.gz BKBXHWNWVSSLBS-QGZVFWFLSA-N 1 0 385.512 0.805 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCN(C(C)(C)C(N)=O)CC2)c1 ZINC000261632229 1193921804 /nfs/dbraw/zinc/92/18/04/1193921804.db2.gz CNLCRCRFTBYZBV-UHFFFAOYSA-N 1 0 384.484 0.063 20 30 GCEDRO C[NH+]=C(NCCn1ccnc1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261661308 1193922611 /nfs/dbraw/zinc/92/26/11/1193922611.db2.gz AUCINNNZXCVSEE-MRXNPFEDSA-N 1 0 375.521 0.395 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1ccc(OC)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261674983 1193922995 /nfs/dbraw/zinc/92/29/95/1193922995.db2.gz HBKCQVAXAGASQT-KRWDZBQOSA-N 1 0 386.456 0.386 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N(C)C[C@H]1CCOC1 ZINC000261682456 1193923224 /nfs/dbraw/zinc/92/32/24/1193923224.db2.gz QQWNKCNGRHOVTJ-MRXNPFEDSA-N 1 0 387.484 0.302 20 30 GCEDRO C[NH+]=C(NC[C@@H](O)c1cccc(OC)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261721969 1193923987 /nfs/dbraw/zinc/92/39/87/1193923987.db2.gz KUKQPEPIDNTHLT-QGZVFWFLSA-N 1 0 386.456 0.386 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N1CCO[C@H](COC)C1 ZINC000261775947 1193925812 /nfs/dbraw/zinc/92/58/12/1193925812.db2.gz FAGKGBVJYFEHOK-SFHVURJKSA-N 1 0 389.500 0.258 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261794254 1193926713 /nfs/dbraw/zinc/92/67/13/1193926713.db2.gz RCFLRDMCVAUHCX-UHFFFAOYSA-N 1 0 397.483 0.546 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCCN1S(C)(=O)=O)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261950180 1193932971 /nfs/dbraw/zinc/93/29/71/1193932971.db2.gz HDGXZJUUAQQENG-HUUCEWRRSA-N 1 0 381.502 0.534 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261958301 1193933332 /nfs/dbraw/zinc/93/33/32/1193933332.db2.gz JKBBJVPWWWLPNK-JKSUJKDBSA-N 1 0 395.529 0.782 20 30 GCEDRO [NH2+]=C(NC[C@H](c1ccccc1)N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000261975556 1193934277 /nfs/dbraw/zinc/93/42/77/1193934277.db2.gz FYAYULXMCJMAQQ-LJQANCHMSA-N 1 0 395.511 0.987 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000262005943 1193935695 /nfs/dbraw/zinc/93/56/95/1193935695.db2.gz VPMZCDMTSPRBLY-QRWLVFNGSA-N 1 0 384.484 0.738 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ncnn2C1)N[C@@H]1CCOc2ccccc21 ZINC000262241540 1193942703 /nfs/dbraw/zinc/94/27/03/1193942703.db2.gz ABISCTSSFZELEJ-GDBMZVCRSA-N 1 0 397.483 0.740 20 30 GCEDRO CCN1CCN(C(N[C@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)CC1=O ZINC000262298750 1193944446 /nfs/dbraw/zinc/94/44/46/1193944446.db2.gz NDSCXGRTJAYRJA-INIZCTEOSA-N 1 0 387.484 0.708 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000262328118 1193945241 /nfs/dbraw/zinc/94/52/41/1193945241.db2.gz AIXHIISJBSQUHR-MRXNPFEDSA-N 1 0 394.545 0.616 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262328682 1193945423 /nfs/dbraw/zinc/94/54/23/1193945423.db2.gz UNDNJBVTHACOKW-QZTJIDSGSA-N 1 0 385.512 0.788 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ccccc2C1)N[C@H]1CCc2ncnn2C1 ZINC000262347609 1193945571 /nfs/dbraw/zinc/94/55/71/1193945571.db2.gz YIDRXGCHOYEOSZ-MSOLQXFVSA-N 1 0 395.511 0.774 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262354646 1193945782 /nfs/dbraw/zinc/94/57/82/1193945782.db2.gz FREBIKXTLVAGES-HOTGVXAUSA-N 1 0 394.545 0.824 20 30 GCEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccc2F)CC1 ZINC000262368874 1193946133 /nfs/dbraw/zinc/94/61/33/1193946133.db2.gz IEJBIGBSLXVSNB-HNNXBMFYSA-N 1 0 395.504 0.909 20 30 GCEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262418612 1193947525 /nfs/dbraw/zinc/94/75/25/1193947525.db2.gz QOMOIXUIMFJQSH-MRXNPFEDSA-N 1 0 379.530 0.994 20 30 GCEDRO CS(=O)(=O)Cc1ccccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262408177 1193947607 /nfs/dbraw/zinc/94/76/07/1193947607.db2.gz OWGKRWCSPCFJAH-UHFFFAOYSA-N 1 0 388.497 0.658 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262683591 1193953521 /nfs/dbraw/zinc/95/35/21/1193953521.db2.gz XIUHRCHXWLXGFR-GJZGRUSLSA-N 1 0 395.533 0.021 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000513469341 1193954194 /nfs/dbraw/zinc/95/41/94/1193954194.db2.gz ONWIHCLNUCSGCT-OAHLLOKOSA-N 1 0 386.500 0.694 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(Cc2cc(C)on2)CC1 ZINC000262750526 1193955090 /nfs/dbraw/zinc/95/50/90/1193955090.db2.gz BSKIXFVUJIFWCQ-MRXNPFEDSA-N 1 0 386.504 0.839 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C[NH+](C)C ZINC000513493254 1193956172 /nfs/dbraw/zinc/95/61/72/1193956172.db2.gz RNBRCDBFPUTUOC-OAHLLOKOSA-N 1 0 386.500 0.694 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262814317 1193956601 /nfs/dbraw/zinc/95/66/01/1193956601.db2.gz VGEUNQUBHLCLLQ-HOTGVXAUSA-N 1 0 383.504 0.773 20 30 GCEDRO C[NH+]=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@H]1C[C@@H]1C ZINC000262838457 1193956766 /nfs/dbraw/zinc/95/67/66/1193956766.db2.gz TWRRKZMZWCVVTE-YOEHRIQHSA-N 1 0 380.514 0.922 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCN(c2ccccn2)CC1 ZINC000262831669 1193956773 /nfs/dbraw/zinc/95/67/73/1193956773.db2.gz RNTGDFRCEVDFDB-UHFFFAOYSA-N 1 0 382.468 0.915 20 30 GCEDRO CCO[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982845553 1193961383 /nfs/dbraw/zinc/96/13/83/1193961383.db2.gz TVBRBZQMXXQUEN-MOIQIXESSA-N 1 0 387.484 0.820 20 30 GCEDRO [NH2+]=C(NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074394 1193961724 /nfs/dbraw/zinc/96/17/24/1193961724.db2.gz CFSLSGJKEDHWDJ-LJQANCHMSA-N 1 0 395.511 0.814 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000280438622 1193994777 /nfs/dbraw/zinc/99/47/77/1193994777.db2.gz FFBAQDAAAAYMHL-LJQANCHMSA-N 1 0 392.500 0.759 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261807227 1194010750 /nfs/dbraw/zinc/01/07/50/1194010750.db2.gz SBVCGTFWRXSZRM-IAGOWNOFSA-N 1 0 383.518 0.130 20 30 GCEDRO N#CCC[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000419472811 1194038718 /nfs/dbraw/zinc/03/87/18/1194038718.db2.gz KCAPXKDLFLNGOI-MSOLQXFVSA-N 1 0 399.495 0.994 20 30 GCEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419474006 1194039573 /nfs/dbraw/zinc/03/95/73/1194039573.db2.gz MAGLIZDQKRFSJT-IAGOWNOFSA-N 1 0 385.468 0.461 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)nc1 ZINC000419615220 1194069629 /nfs/dbraw/zinc/06/96/29/1194069629.db2.gz POXOKLIKZKNGDC-VXLLPVPCSA-N 1 0 383.452 0.580 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419613614 1194073461 /nfs/dbraw/zinc/07/34/61/1194073461.db2.gz LAZSZSGZSHLPMX-VBJONLRCSA-N 1 0 385.468 0.968 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419726173 1194088407 /nfs/dbraw/zinc/08/84/07/1194088407.db2.gz GYQHLZMVOSLRFE-VYMRPNJYSA-N 1 0 397.479 0.827 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000419726172 1194094078 /nfs/dbraw/zinc/09/40/78/1194094078.db2.gz GYQHLZMVOSLRFE-VEZWFGLTSA-N 1 0 397.479 0.827 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@]12c1ccccc1NC2=O ZINC000419812175 1194112372 /nfs/dbraw/zinc/11/23/72/1194112372.db2.gz YUROWAHZVBQVGB-QKKBWIMNSA-N 1 0 395.463 0.636 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000419841785 1194119420 /nfs/dbraw/zinc/11/94/20/1194119420.db2.gz KUFRZIXSVUJBBU-AWEZNQCLSA-N 1 0 375.860 0.728 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@@]12C(=O)Nc1ccccc12 ZINC000419843052 1194119445 /nfs/dbraw/zinc/11/94/45/1194119445.db2.gz CPNASZOWCJDOOU-RNODOKPDSA-N 1 0 381.436 0.117 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000419863521 1194125709 /nfs/dbraw/zinc/12/57/09/1194125709.db2.gz RRPUIGLLMYIBSX-JWTNVVGKSA-N 1 0 381.480 0.996 20 30 GCEDRO C=CCN(CCOC)C(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419893035 1194135436 /nfs/dbraw/zinc/13/54/36/1194135436.db2.gz OJGMJRFRKBWRCE-QZTJIDSGSA-N 1 0 375.469 0.918 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000419920718 1194139256 /nfs/dbraw/zinc/13/92/56/1194139256.db2.gz XBVMEXYCWDOEFY-AWEZNQCLSA-N 1 0 389.887 0.976 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000419976830 1194150730 /nfs/dbraw/zinc/15/07/30/1194150730.db2.gz LOTRDRQISOFYJA-OAHLLOKOSA-N 1 0 375.448 0.836 20 30 GCEDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000419990352 1194153337 /nfs/dbraw/zinc/15/33/37/1194153337.db2.gz HNEPGPIYHBAETL-GFCCVEGCSA-N 1 0 386.412 0.308 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000420009765 1194157257 /nfs/dbraw/zinc/15/72/57/1194157257.db2.gz DJDBKLOPVOBUDZ-RWYMCCIASA-N 1 0 395.463 0.492 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000420011455 1194157270 /nfs/dbraw/zinc/15/72/70/1194157270.db2.gz GUAAAINYKWANQX-GUDVDZBRSA-N 1 0 383.496 0.857 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420015240 1194162061 /nfs/dbraw/zinc/16/20/61/1194162061.db2.gz LPHMJFWBILSELJ-SUMWQHHRSA-N 1 0 382.486 0.044 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420043348 1194167236 /nfs/dbraw/zinc/16/72/36/1194167236.db2.gz RTKUCMLGZLRNTK-HOCLYGCPSA-N 1 0 385.468 0.436 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048357 1194168796 /nfs/dbraw/zinc/16/87/96/1194168796.db2.gz XDUISSSZGJWWJO-CRAIPNDOSA-N 1 0 399.495 0.432 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048360 1194169104 /nfs/dbraw/zinc/16/91/04/1194169104.db2.gz XDUISSSZGJWWJO-YJBOKZPZSA-N 1 0 399.495 0.432 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420084464 1194174502 /nfs/dbraw/zinc/17/45/02/1194174502.db2.gz MQLGFMQOSZKCFR-DZGCQCFKSA-N 1 0 385.472 0.019 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000420085123 1194175165 /nfs/dbraw/zinc/17/51/65/1194175165.db2.gz XDICQRPERKIWRQ-UHFFFAOYSA-N 1 0 375.448 0.980 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420086902 1194175709 /nfs/dbraw/zinc/17/57/09/1194175709.db2.gz ZSNLCIDVEYRCMR-XCLFUZPHSA-N 1 0 383.452 0.492 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420110293 1194180770 /nfs/dbraw/zinc/18/07/70/1194180770.db2.gz FGVGHYJTBWHHSG-BBRMVZONSA-N 1 0 389.887 0.974 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420110297 1194181465 /nfs/dbraw/zinc/18/14/65/1194181465.db2.gz FGVGHYJTBWHHSG-XJKSGUPXSA-N 1 0 389.887 0.974 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000420092231 1194183016 /nfs/dbraw/zinc/18/30/16/1194183016.db2.gz HMLJVJGKSUQZOE-UHFFFAOYSA-N 1 0 375.448 0.980 20 30 GCEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420119998 1194187282 /nfs/dbraw/zinc/18/72/82/1194187282.db2.gz JRNWCDVWEPRKOC-APWZRJJASA-N 1 0 383.496 0.849 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000420128353 1194189582 /nfs/dbraw/zinc/18/95/82/1194189582.db2.gz SUUNQHBGKLYIOU-OAHLLOKOSA-N 1 0 375.448 0.980 20 30 GCEDRO N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CCO2)c1 ZINC000420206486 1194205492 /nfs/dbraw/zinc/20/54/92/1194205492.db2.gz KCZMLMLAHABFCI-MKXGPGLRSA-N 1 0 382.464 0.962 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c(C#N)cn1CC ZINC000421211199 1194305843 /nfs/dbraw/zinc/30/58/43/1194305843.db2.gz IBVBETSOJAIRGB-CYBMUJFWSA-N 1 0 387.440 0.848 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c(C#N)cn1CC ZINC000421234683 1194308289 /nfs/dbraw/zinc/30/82/89/1194308289.db2.gz FQEXNSXDJXOHKR-LBPRGKRZSA-N 1 0 377.445 0.809 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c(C#N)cn1CC ZINC000421218277 1194309613 /nfs/dbraw/zinc/30/96/13/1194309613.db2.gz KEDAUWLPYRYIIA-OKILXGFUSA-N 1 0 387.440 0.515 20 30 GCEDRO C[C@H]1C[C@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103890 1194386499 /nfs/dbraw/zinc/38/64/99/1194386499.db2.gz OIBFUQZNEQCZGX-LPHOPBHVSA-N 1 0 386.496 0.925 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000422110974 1194392029 /nfs/dbraw/zinc/39/20/29/1194392029.db2.gz CQELMMRXADNYPV-MRXNPFEDSA-N 1 0 387.459 0.899 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000422115936 1194393740 /nfs/dbraw/zinc/39/37/40/1194393740.db2.gz NKHWSROKKBUGAP-CQSZACIVSA-N 1 0 390.513 0.524 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCCNC(=O)c3ccn[nH]3)=[NH+]C[C@@H]2C1 ZINC000272392799 1194456778 /nfs/dbraw/zinc/45/67/78/1194456778.db2.gz LOGOUALAMWTIGO-GFCCVEGCSA-N 1 0 377.449 0.020 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000272514967 1194468231 /nfs/dbraw/zinc/46/82/31/1194468231.db2.gz PFCUEDFJBYGRFK-YSVLISHTSA-N 1 0 376.482 0.778 20 30 GCEDRO CC(C)[C@@H](CO)[NH2+]CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000272762472 1194498061 /nfs/dbraw/zinc/49/80/61/1194498061.db2.gz QOATUIICPNLVPG-OAHLLOKOSA-N 1 0 382.486 0.702 20 30 GCEDRO C[C@@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000509962612 1194568919 /nfs/dbraw/zinc/56/89/19/1194568919.db2.gz GEYUORXBIVBCSN-INIZCTEOSA-N 1 0 399.561 0.779 20 30 GCEDRO C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000422484628 1194654947 /nfs/dbraw/zinc/65/49/47/1194654947.db2.gz AVXQFWZZFWIDAQ-INIZCTEOSA-N 1 0 384.484 0.450 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000423011869 1194717493 /nfs/dbraw/zinc/71/74/93/1194717493.db2.gz JNTWWHQDVTZARP-XUVXKRRUSA-N 1 0 395.507 0.788 20 30 GCEDRO N#Cc1ccccc1N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423058520 1194722475 /nfs/dbraw/zinc/72/24/75/1194722475.db2.gz JUDPGDJERXNJNX-UHFFFAOYSA-N 1 0 381.480 0.809 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000423068548 1194723849 /nfs/dbraw/zinc/72/38/49/1194723849.db2.gz KIPRZQVANANPKG-UHFFFAOYSA-N 1 0 384.484 0.450 20 30 GCEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423087242 1194726494 /nfs/dbraw/zinc/72/64/94/1194726494.db2.gz NKZFELBTYRTQPE-SFHVURJKSA-N 1 0 397.479 0.187 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000423146582 1194730547 /nfs/dbraw/zinc/73/05/47/1194730547.db2.gz PSCGBWJOBVPLQM-HUUCEWRRSA-N 1 0 387.459 0.932 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423155489 1194732049 /nfs/dbraw/zinc/73/20/49/1194732049.db2.gz QLDAWYVLJMCHFA-SJORKVTESA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423158081 1194732522 /nfs/dbraw/zinc/73/25/22/1194732522.db2.gz WEOQSYHPURKVRW-SJORKVTESA-N 1 0 382.464 0.996 20 30 GCEDRO C[NH2+]CCN(C)C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000423135002 1194732682 /nfs/dbraw/zinc/73/26/82/1194732682.db2.gz XPTVXKKMWVIBMO-UHFFFAOYSA-N 1 0 386.412 0.133 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@@H]1C[NH3+] ZINC000423144153 1194733396 /nfs/dbraw/zinc/73/33/96/1194733396.db2.gz GDUFKCBTVXBFTQ-GJZGRUSLSA-N 1 0 387.459 0.789 20 30 GCEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423185139 1194734050 /nfs/dbraw/zinc/73/40/50/1194734050.db2.gz JGXIEWZTQARQHC-SFHVURJKSA-N 1 0 397.479 0.386 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)CC[NH2+]1 ZINC000423212378 1194737576 /nfs/dbraw/zinc/73/75/76/1194737576.db2.gz IJGAUCOSZDQVRG-HNNXBMFYSA-N 1 0 392.463 0.575 20 30 GCEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423189598 1194737984 /nfs/dbraw/zinc/73/79/84/1194737984.db2.gz PSJVSWYIDIHGCM-IBGZPJMESA-N 1 0 381.480 0.579 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@@H]1C[NH3+] ZINC000423216709 1194740653 /nfs/dbraw/zinc/74/06/53/1194740653.db2.gz QOHLVOIHWLFTNO-HOCLYGCPSA-N 1 0 387.459 0.789 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)c(F)c1 ZINC000423216119 1194740884 /nfs/dbraw/zinc/74/08/84/1194740884.db2.gz PMUVFYBFKCBXLU-RDJZCZTQSA-N 1 0 385.443 0.556 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CC[C@@H]([NH3+])C2)CC1 ZINC000423221830 1194741560 /nfs/dbraw/zinc/74/15/60/1194741560.db2.gz YIHJDOPQTYLZCI-OAHLLOKOSA-N 1 0 378.436 0.315 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000423228850 1194742043 /nfs/dbraw/zinc/74/20/43/1194742043.db2.gz FNKPTMKIMJUKLV-INIZCTEOSA-N 1 0 383.452 0.685 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000423229437 1194742115 /nfs/dbraw/zinc/74/21/15/1194742115.db2.gz GYJFETHPWIUDMG-UHFFFAOYSA-N 1 0 397.479 0.946 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000423230552 1194742385 /nfs/dbraw/zinc/74/23/85/1194742385.db2.gz JKHRYBIMZGSKRA-AWEZNQCLSA-N 1 0 383.452 0.556 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423245469 1194743342 /nfs/dbraw/zinc/74/33/42/1194743342.db2.gz IZIQEQOLSMMUDX-IBGZPJMESA-N 1 0 399.495 0.039 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000423346895 1194748757 /nfs/dbraw/zinc/74/87/57/1194748757.db2.gz ZICCKPHLBXPHBV-NQIIRXRSSA-N 1 0 381.480 0.435 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000423326672 1194749098 /nfs/dbraw/zinc/74/90/98/1194749098.db2.gz JOBHXRMSWRDYJD-OALUTQOASA-N 1 0 383.496 0.681 20 30 GCEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@@H](C#N)C3)c2)CC1 ZINC000504061508 1194750146 /nfs/dbraw/zinc/75/01/46/1194750146.db2.gz VORYYDGMGGJXQU-SFHVURJKSA-N 1 0 385.468 0.906 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000423340725 1194750188 /nfs/dbraw/zinc/75/01/88/1194750188.db2.gz SZRIDURZUMQLDZ-CEXWTWQISA-N 1 0 381.480 0.291 20 30 GCEDRO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423340295 1194750258 /nfs/dbraw/zinc/75/02/58/1194750258.db2.gz JHLZNFXBTKSESI-KRWDZBQOSA-N 1 0 378.517 0.862 20 30 GCEDRO C=C(C)CN(Cc1ccccc1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423376321 1194752181 /nfs/dbraw/zinc/75/21/81/1194752181.db2.gz UXVYSWDYUKFMOF-SFHVURJKSA-N 1 0 386.496 0.905 20 30 GCEDRO Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)c1C#N ZINC000423454673 1194759273 /nfs/dbraw/zinc/75/92/73/1194759273.db2.gz ZIZWGRLFIQFEKU-INIZCTEOSA-N 1 0 389.504 0.081 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1=O ZINC000423494632 1194761208 /nfs/dbraw/zinc/76/12/08/1194761208.db2.gz SLJQNTNKLUFAPZ-JKSUJKDBSA-N 1 0 376.501 0.468 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000423560746 1194764162 /nfs/dbraw/zinc/76/41/62/1194764162.db2.gz LMEVFTXYROGXCP-RNODOKPDSA-N 1 0 381.436 0.069 20 30 GCEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000423538806 1194764730 /nfs/dbraw/zinc/76/47/30/1194764730.db2.gz HEPHDZBVRKAWCZ-CABCVRRESA-N 1 0 387.488 0.217 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000423549548 1194765653 /nfs/dbraw/zinc/76/56/53/1194765653.db2.gz ADJXEMHYZWWAFN-MNVSYLFESA-N 1 0 381.436 0.069 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C1 ZINC000423549546 1194765723 /nfs/dbraw/zinc/76/57/23/1194765723.db2.gz ADJXEMHYZWWAFN-JZKQVHKSSA-N 1 0 381.436 0.069 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000423549547 1194765824 /nfs/dbraw/zinc/76/58/24/1194765824.db2.gz ADJXEMHYZWWAFN-LRDNONRASA-N 1 0 381.436 0.069 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@@H]1C[NH3+] ZINC000423556356 1194766702 /nfs/dbraw/zinc/76/67/02/1194766702.db2.gz GVMGJZGSAKYMNX-BQLSAVKESA-N 1 0 395.463 0.302 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000423571859 1194768645 /nfs/dbraw/zinc/76/86/45/1194768645.db2.gz PAWPKOJVIGRRAD-LJQANCHMSA-N 1 0 381.480 0.555 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423587206 1194771709 /nfs/dbraw/zinc/77/17/09/1194771709.db2.gz DUGWFBJYMJLESF-PJSUUKDQSA-N 1 0 381.436 0.069 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423587208 1194771772 /nfs/dbraw/zinc/77/17/72/1194771772.db2.gz DUGWFBJYMJLESF-YRVVQQKDSA-N 1 0 381.436 0.069 20 30 GCEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000423615720 1194773880 /nfs/dbraw/zinc/77/38/80/1194773880.db2.gz ZGGOYSSRHANZMT-AWEZNQCLSA-N 1 0 383.452 0.556 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1 ZINC000423594320 1194774982 /nfs/dbraw/zinc/77/49/82/1194774982.db2.gz NTIOLVGDYJRBNU-ZDUSSCGKSA-N 1 0 376.486 0.182 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C[NH3+])C1 ZINC000423628621 1194775361 /nfs/dbraw/zinc/77/53/61/1194775361.db2.gz ANZHBNJJWBRVIQ-RBUKOAKNSA-N 1 0 399.495 0.167 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC000423629472 1194775494 /nfs/dbraw/zinc/77/54/94/1194775494.db2.gz BFQRNPFAYFCYJS-GUDVDZBRSA-N 1 0 399.495 0.188 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000423621372 1194777859 /nfs/dbraw/zinc/77/78/59/1194777859.db2.gz XVUMAFXPNKTNPY-SFHVURJKSA-N 1 0 397.479 0.946 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CC[NH2+]C1 ZINC000423666678 1194781842 /nfs/dbraw/zinc/78/18/42/1194781842.db2.gz SLUSFASHTVNEIQ-OALUTQOASA-N 1 0 383.496 0.823 20 30 GCEDRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000423710610 1194787425 /nfs/dbraw/zinc/78/74/25/1194787425.db2.gz QAIXDELKRIGZNG-KRWDZBQOSA-N 1 0 385.468 0.781 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H]1C[NH3+] ZINC000423748064 1194791559 /nfs/dbraw/zinc/79/15/59/1194791559.db2.gz ZFKUXALLUWQEOH-VQIMIIECSA-N 1 0 383.496 0.788 20 30 GCEDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@H]([NH3+])CCCC#N)c([N+](=O)[O-])c1 ZINC000424066363 1194800366 /nfs/dbraw/zinc/80/03/66/1194800366.db2.gz SITAHAUXHWNMSN-GFCCVEGCSA-N 1 0 383.430 0.548 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000424066093 1194800477 /nfs/dbraw/zinc/80/04/77/1194800477.db2.gz RPVOTJHSYMIOIR-QGZVFWFLSA-N 1 0 394.497 0.486 20 30 GCEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424546374 1194823211 /nfs/dbraw/zinc/82/32/11/1194823211.db2.gz NCWCLGRMBRUSEW-RBUKOAKNSA-N 1 0 394.479 0.984 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1 ZINC000424550738 1194824024 /nfs/dbraw/zinc/82/40/24/1194824024.db2.gz UFUCPDJRLUKWNL-MSOLQXFVSA-N 1 0 398.467 0.351 20 30 GCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000141666725 1194869596 /nfs/dbraw/zinc/86/95/96/1194869596.db2.gz ZJUUIZMEGUKGDF-HZPDHXFCSA-N 1 0 387.509 0.963 20 30 GCEDRO C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)cn2)C[C@H](C)O1 ZINC001269883898 1194879540 /nfs/dbraw/zinc/87/95/40/1194879540.db2.gz XFRIIVAGSDPHPQ-LXTVHRRPSA-N 1 0 380.514 0.918 20 30 GCEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000434981894 1194880229 /nfs/dbraw/zinc/88/02/29/1194880229.db2.gz MJCVAAOJEQQPOM-AGYKMIKPSA-N 1 0 380.533 0.931 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1 ZINC000514728055 1194900983 /nfs/dbraw/zinc/90/09/83/1194900983.db2.gz JGMGYGQTJSRVEF-ZWKOTPCHSA-N 1 0 384.461 0.708 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cc4F)CC3)[C@@H]2C1 ZINC000425380087 1194932411 /nfs/dbraw/zinc/93/24/11/1194932411.db2.gz DWGVLFHKWMHHGJ-QFBILLFUSA-N 1 0 399.470 0.899 20 30 GCEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000515166387 1194951611 /nfs/dbraw/zinc/95/16/11/1194951611.db2.gz NKCYZXLOBFBKSL-IBGZPJMESA-N 1 0 389.496 0.963 20 30 GCEDRO C=CCn1cc(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000425430987 1194978390 /nfs/dbraw/zinc/97/83/90/1194978390.db2.gz CGDSWOUJMHPAJM-UHFFFAOYSA-N 1 0 384.488 0.871 20 30 GCEDRO Cc1cc(C(=O)N2CCN(C(=O)C[NH+](C)C)CC2)nn1-c1cccc(C#N)c1 ZINC000505747545 1194981860 /nfs/dbraw/zinc/98/18/60/1194981860.db2.gz LLCVASGDGPOOAS-UHFFFAOYSA-N 1 0 380.452 0.898 20 30 GCEDRO CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515846211 1195000597 /nfs/dbraw/zinc/00/05/97/1195000597.db2.gz KHRDRVXJKQKPMT-HNNXBMFYSA-N 1 0 377.474 0.351 20 30 GCEDRO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000516194544 1195030479 /nfs/dbraw/zinc/03/04/79/1195030479.db2.gz MFEWDWWHJJVWSI-UHFFFAOYSA-N 1 0 398.510 0.371 20 30 GCEDRO N#Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000516180442 1195030795 /nfs/dbraw/zinc/03/07/95/1195030795.db2.gz UQXPURIHGOPPRV-SJLPKXTDSA-N 1 0 393.447 0.891 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000414895200 1195056866 /nfs/dbraw/zinc/05/68/66/1195056866.db2.gz MWCZTRKHZLAIHL-UHFFFAOYSA-N 1 0 381.502 0.520 20 30 GCEDRO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@@]2(CC[N@H+](CCn3ccnc3)C2)C1 ZINC001270179203 1195077018 /nfs/dbraw/zinc/07/70/18/1195077018.db2.gz ICSVGOXBQDJYPD-WMZOPIPTSA-N 1 0 379.530 0.632 20 30 GCEDRO N#C[C@@H]1CN(S(=O)(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCO1 ZINC000516863476 1195106200 /nfs/dbraw/zinc/10/62/00/1195106200.db2.gz WPBGADUPBCTSHH-RCCFBDPRSA-N 1 0 376.482 0.662 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000516993559 1195121823 /nfs/dbraw/zinc/12/18/23/1195121823.db2.gz XASNJSUMKJSOGE-LULLPPNCSA-N 1 0 393.528 0.968 20 30 GCEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000517127404 1195139269 /nfs/dbraw/zinc/13/92/69/1195139269.db2.gz KZIYGIJUWWFAGW-MRXNPFEDSA-N 1 0 375.450 0.866 20 30 GCEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCNS(=O)(=O)c2ccccc2)cc1 ZINC000517127082 1195139297 /nfs/dbraw/zinc/13/92/97/1195139297.db2.gz KZIYGIJUWWFAGW-INIZCTEOSA-N 1 0 375.450 0.866 20 30 GCEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000517883234 1195226108 /nfs/dbraw/zinc/22/61/08/1195226108.db2.gz ISHYCSFKKDMBOQ-KRWDZBQOSA-N 1 0 398.511 0.792 20 30 GCEDRO C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000414945877 1195244371 /nfs/dbraw/zinc/24/43/71/1195244371.db2.gz RCSBMONNUVHYGQ-AWEZNQCLSA-N 1 0 393.451 0.743 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccnn1C[C@@H]1CCOC1 ZINC000438760234 1195246645 /nfs/dbraw/zinc/24/66/45/1195246645.db2.gz KEYYDPNTRNAOLK-HNNXBMFYSA-N 1 0 376.461 0.552 20 30 GCEDRO COCC[N@@H+]1CC[C@H](NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000518606925 1195309167 /nfs/dbraw/zinc/30/91/67/1195309167.db2.gz MKRSPCXXFZPMHG-HNNXBMFYSA-N 1 0 380.470 0.016 20 30 GCEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000439359883 1195313816 /nfs/dbraw/zinc/31/38/16/1195313816.db2.gz OPRPPFHZIBYVOE-ZDUSSCGKSA-N 1 0 384.415 1.374 20 30 GCEDRO [NH2+]=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N1CCSCC1 ZINC000262003772 1195361596 /nfs/dbraw/zinc/36/15/96/1195361596.db2.gz QOYLGIYTRNUCOS-UHFFFAOYSA-N 1 0 398.554 0.712 20 30 GCEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)CC[C@@H]21 ZINC000519103467 1195370173 /nfs/dbraw/zinc/37/01/73/1195370173.db2.gz HLDNEBBIXYWSHV-MSOLQXFVSA-N 1 0 396.495 0.545 20 30 GCEDRO COc1ccc(-c2nnc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)[nH]2)cc1 ZINC000262019445 1195420585 /nfs/dbraw/zinc/42/05/85/1195420585.db2.gz XDWQTZFHUBOVEY-UHFFFAOYSA-N 1 0 393.455 0.907 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000262023095 1195422248 /nfs/dbraw/zinc/42/22/48/1195422248.db2.gz ZELGSVVFSGPVGB-CRAIPNDOSA-N 1 0 383.562 0.058 20 30 GCEDRO CC[NH+](CC)CC(=O)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000507571854 1195532813 /nfs/dbraw/zinc/53/28/13/1195532813.db2.gz WJXPYWNOVJLJGG-GOSISDBHSA-N 1 0 397.479 0.676 20 30 GCEDRO N#Cc1ccsc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000550384808 1195652959 /nfs/dbraw/zinc/65/29/59/1195652959.db2.gz LEVKMAAUQOQEKK-UHFFFAOYSA-N 1 0 375.454 0.325 20 30 GCEDRO CC(C)[NH+]1CCC(O)(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000328716614 1195662693 /nfs/dbraw/zinc/66/26/93/1195662693.db2.gz DXZRSHVCXUJJEM-UHFFFAOYSA-N 1 0 390.550 0.397 20 30 GCEDRO CC[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000328754288 1195663777 /nfs/dbraw/zinc/66/37/77/1195663777.db2.gz SLHXLHIJEZCJIV-IAGOWNOFSA-N 1 0 382.505 0.582 20 30 GCEDRO CS(=O)(=O)N1CCC(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000328786878 1195667646 /nfs/dbraw/zinc/66/76/46/1195667646.db2.gz WWADJYINNHDQJL-INIZCTEOSA-N 1 0 388.534 0.226 20 30 GCEDRO CCC[NH+]1CCC(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000328798260 1195668434 /nfs/dbraw/zinc/66/84/34/1195668434.db2.gz FXXOGTYPXLDCHD-UHFFFAOYSA-N 1 0 395.548 0.499 20 30 GCEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000328858317 1195671682 /nfs/dbraw/zinc/67/16/82/1195671682.db2.gz YHPNWLQMSBLEPN-CJNGLKHVSA-N 1 0 381.502 0.884 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000328958780 1195682315 /nfs/dbraw/zinc/68/23/15/1195682315.db2.gz JVZXKIOLSFNWLV-FCGDIQPGSA-N 1 0 378.517 0.541 20 30 GCEDRO CC(C)NC(=O)C(=O)N1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000330408765 1195687845 /nfs/dbraw/zinc/68/78/45/1195687845.db2.gz PSMKEPOSTKQBHN-HZPDHXFCSA-N 1 0 381.521 0.690 20 30 GCEDRO CCS(=O)(=O)NC1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000330473330 1195689679 /nfs/dbraw/zinc/68/96/79/1195689679.db2.gz GIHNLUKIBAYEHO-INIZCTEOSA-N 1 0 390.550 0.661 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@H+](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000330644341 1195699018 /nfs/dbraw/zinc/69/90/18/1195699018.db2.gz KLNOYOCRPYOGIL-QGZVFWFLSA-N 1 0 399.561 0.035 20 30 GCEDRO C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000330769609 1195706993 /nfs/dbraw/zinc/70/69/93/1195706993.db2.gz ZOJYFPXLIJUFON-CABCVRRESA-N 1 0 389.566 0.376 20 30 GCEDRO CC(C)CNC(=O)N1CCC[C@H](C(=O)NC2CCN(CC(=O)N(C)C)CC2)C1 ZINC000330891595 1195712954 /nfs/dbraw/zinc/71/29/54/1195712954.db2.gz CRRWGVVNJAKVRP-INIZCTEOSA-N 1 0 395.548 0.937 20 30 GCEDRO C[C@H]1CN(C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000331214001 1195724223 /nfs/dbraw/zinc/72/42/23/1195724223.db2.gz AXWBBPPCCKCMTF-HNNXBMFYSA-N 1 0 383.537 0.230 20 30 GCEDRO COCCC(=O)N1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000331217555 1195724261 /nfs/dbraw/zinc/72/42/61/1195724261.db2.gz GKSGNRDOEZNATP-OAHLLOKOSA-N 1 0 384.521 0.705 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H]2OCC(=O)N(C)[C@H]2c2cnn(C)c2)CC1 ZINC000280810186 1195754038 /nfs/dbraw/zinc/75/40/38/1195754038.db2.gz GYFICXZGVKZOCC-ZWKOTPCHSA-N 1 0 375.473 0.475 20 30 GCEDRO CCOCCO[C@H]1CC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000441663635 1195812083 /nfs/dbraw/zinc/81/20/83/1195812083.db2.gz DDXGVAJVYLJGKT-INIZCTEOSA-N 1 0 391.472 0.631 20 30 GCEDRO C=C[C@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427719910 1195870541 /nfs/dbraw/zinc/87/05/41/1195870541.db2.gz MAXMBLIJJGLSOP-HNNXBMFYSA-N 1 0 376.461 0.067 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000442262433 1195967190 /nfs/dbraw/zinc/96/71/90/1195967190.db2.gz HBNVRSRCUCOKMQ-UHFFFAOYSA-N 1 0 380.470 0.348 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCN(c3ccc4c(c3)OCCO4)C2=O)CC1 ZINC000521860376 1196020964 /nfs/dbraw/zinc/02/09/64/1196020964.db2.gz LSNMZBDINZTFMF-HNNXBMFYSA-N 1 0 384.436 0.915 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cc(=O)n(C)c(=O)n2C)[C@@H]1CC ZINC001087732169 1196069674 /nfs/dbraw/zinc/06/96/74/1196069674.db2.gz GFFQKSRNJCTOAK-TWMKSMIVSA-N 1 0 390.484 0.144 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087732516 1196069689 /nfs/dbraw/zinc/06/96/89/1196069689.db2.gz ZINIYSQWHIBIHW-QXSJWSMHSA-N 1 0 378.473 0.489 20 30 GCEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000474158913 1196092877 /nfs/dbraw/zinc/09/28/77/1196092877.db2.gz OHPJKVBMMMQKJU-LJQANCHMSA-N 1 0 384.480 0.870 20 30 GCEDRO C#CC[NH+]1CCC(Nc2nc(NC3CC[NH+](CC#C)CC3)nc(OC)n2)CC1 ZINC000895809276 1196112705 /nfs/dbraw/zinc/11/27/05/1196112705.db2.gz SQNVIEIQTDYTKT-UHFFFAOYSA-N 1 0 383.500 0.899 20 30 GCEDRO C#CC[NH+]1CCC(Nc2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000895808220 1196113574 /nfs/dbraw/zinc/11/35/74/1196113574.db2.gz IRJPUUIAJSEPLT-UHFFFAOYSA-N 1 0 376.482 0.462 20 30 GCEDRO N#Cc1csc(CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000896467745 1196148821 /nfs/dbraw/zinc/14/88/21/1196148821.db2.gz HAEWDECTORTLRU-AWEZNQCLSA-N 1 0 378.502 0.611 20 30 GCEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC1 ZINC000474798877 1196150530 /nfs/dbraw/zinc/15/05/30/1196150530.db2.gz BBSXDPJCHFIRGU-APWZRJJASA-N 1 0 384.480 0.964 20 30 GCEDRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CCCS(=O)(=O)CC2)CC1 ZINC000329010617 1196156048 /nfs/dbraw/zinc/15/60/48/1196156048.db2.gz OLIYDPXBWUTGPW-UHFFFAOYSA-N 1 0 381.502 0.368 20 30 GCEDRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000329022946 1196157069 /nfs/dbraw/zinc/15/70/69/1196157069.db2.gz MTGCKOWOPACWTF-IRXDYDNUSA-N 1 0 396.513 0.944 20 30 GCEDRO Cc1cc(S(N)(=O)=O)cc(NC(=O)CN2CCO[C@@H]3CC[N@@H+](C)C[C@@H]32)c1C ZINC000329022944 1196157162 /nfs/dbraw/zinc/15/71/62/1196157162.db2.gz MTGCKOWOPACWTF-DLBZAZTESA-N 1 0 396.513 0.944 20 30 GCEDRO COCCN1CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1=O ZINC000329049936 1196159994 /nfs/dbraw/zinc/15/99/94/1196159994.db2.gz GUOBEYKYNIZWNH-SJORKVTESA-N 1 0 382.505 0.459 20 30 GCEDRO CC(=O)N1CCC[C@](O)(C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000329062397 1196160504 /nfs/dbraw/zinc/16/05/04/1196160504.db2.gz NWHJDOQELVXCHV-NLWGTHIKSA-N 1 0 375.469 0.952 20 30 GCEDRO C[C@H](CNC(=O)N1CCC[C@@](O)(C(=O)N2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000329085308 1196162220 /nfs/dbraw/zinc/16/22/20/1196162220.db2.gz UDDGDOFDANXUMY-XLIONFOSSA-N 1 0 395.548 0.233 20 30 GCEDRO Cc1cc(O)cc(=O)n1CCC(=O)NC1CC[NH+]([C@H]2CCN(C)C2=O)CC1 ZINC000329186747 1196173837 /nfs/dbraw/zinc/17/38/37/1196173837.db2.gz PWTHAZHLTVHGHL-INIZCTEOSA-N 1 0 376.457 0.904 20 30 GCEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000329187680 1196173917 /nfs/dbraw/zinc/17/39/17/1196173917.db2.gz QXHWXBOMUPYANV-HZPDHXFCSA-N 1 0 387.550 0.036 20 30 GCEDRO Cc1cc(O)cc(=O)n1CCC(=O)NC1CC[NH+]([C@@H]2CCN(C)C2=O)CC1 ZINC000329186748 1196173947 /nfs/dbraw/zinc/17/39/47/1196173947.db2.gz PWTHAZHLTVHGHL-MRXNPFEDSA-N 1 0 376.457 0.904 20 30 GCEDRO Cn1cc(-n2cc(C(=O)NC3CC[NH+]([C@@H]4CCN(C)C4=O)CC3)ccc2=O)cn1 ZINC000329206766 1196175702 /nfs/dbraw/zinc/17/57/02/1196175702.db2.gz YHHNKYHFGZMKJL-QGZVFWFLSA-N 1 0 398.467 0.571 20 30 GCEDRO CC(C)[C@H](CNC(=O)N1CCN(S(C)(=O)=O)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000329230285 1196178278 /nfs/dbraw/zinc/17/82/78/1196178278.db2.gz 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UVGGSPWYALEGAX-DZGCQCFKSA-N 1 0 385.424 0.767 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001691671107 1200057496 /nfs/dbraw/zinc/05/74/96/1200057496.db2.gz AAFIWDWPWKFMPW-PCODUJHASA-N 1 0 377.485 0.004 20 30 GCEDRO C=CCN1CC[C@H]([NH2+]C2(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1=O ZINC001273129952 1200137070 /nfs/dbraw/zinc/13/70/70/1200137070.db2.gz WNKCQJKDGOVTDT-LUKYLMHMSA-N 1 0 377.485 0.453 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000557213806 1200153052 /nfs/dbraw/zinc/15/30/52/1200153052.db2.gz SOLVKCNTURQHRN-INIZCTEOSA-N 1 0 391.497 0.716 20 30 GCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)Cc2cc(C#N)ccc2F)CC1 ZINC000164708148 1200165326 /nfs/dbraw/zinc/16/53/26/1200165326.db2.gz CWVCSBLOZUPRAA-QGZVFWFLSA-N 1 0 394.472 0.766 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@@]2(F)CCOC2)C3)CC1 ZINC001005342074 1200258105 /nfs/dbraw/zinc/25/81/05/1200258105.db2.gz UMIXLWPCRQZBID-PDOICOKGSA-N 1 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C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C[C@H]2C1 ZINC000427846568 1200688908 /nfs/dbraw/zinc/68/89/08/1200688908.db2.gz AFNIPQCTQVZQKZ-BETUJISGSA-N 1 0 382.399 0.842 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)c1C#N ZINC000536300993 1200727969 /nfs/dbraw/zinc/72/79/69/1200727969.db2.gz FTXXRYZCFZQDCI-NSHDSACASA-N 1 0 387.444 0.625 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NC(=O)CCc2ccccc2)c1C#N ZINC000555954860 1200728272 /nfs/dbraw/zinc/72/82/72/1200728272.db2.gz FPESJHUXHZRJSO-CQSZACIVSA-N 1 0 382.468 1.509 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc([C@]3(C)NC(=O)NC3=O)c2)c1C#N ZINC000536305762 1200728863 /nfs/dbraw/zinc/72/88/63/1200728863.db2.gz XQTQADAVNNMLFG-IBGZPJMESA-N 1 0 395.423 0.740 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)n1 ZINC000463969276 1200781088 /nfs/dbraw/zinc/78/10/88/1200781088.db2.gz JDLJQEOJGKTGHM-KRWDZBQOSA-N 1 0 396.451 1.479 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)nn1CCC#N ZINC000504040190 1200781965 /nfs/dbraw/zinc/78/19/65/1200781965.db2.gz ASQTVTAFOWHCJT-MRXNPFEDSA-N 1 0 388.472 0.615 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)nn1CCC#N ZINC000504604826 1200799548 /nfs/dbraw/zinc/79/95/48/1200799548.db2.gz HDTRIWULSJRKJP-MRXNPFEDSA-N 1 0 390.488 0.907 20 30 GCEDRO Cc1cc(NC(=O)C2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)no1 ZINC000329132874 1200825028 /nfs/dbraw/zinc/82/50/28/1200825028.db2.gz AVXZCRGGSIEAKJ-AWEZNQCLSA-N 1 0 392.504 1.183 20 30 GCEDRO Cc1cc(NC(=O)C2CCN(C(=O)N[C@H](C)CN3CC[NH+](C)CC3)CC2)no1 ZINC000329132875 1200825673 /nfs/dbraw/zinc/82/56/73/1200825673.db2.gz AVXZCRGGSIEAKJ-CQSZACIVSA-N 1 0 392.504 1.183 20 30 GCEDRO CCC[N@H+](CC)CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460706020 1200846189 /nfs/dbraw/zinc/84/61/89/1200846189.db2.gz KCAIBJGAAVCEMG-UHFFFAOYSA-N 1 0 383.456 1.234 20 30 GCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000367831181 1200900246 /nfs/dbraw/zinc/90/02/46/1200900246.db2.gz JTBNNFLSVKJTDI-AWEZNQCLSA-N 1 0 384.415 1.422 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000460570751 1200967586 /nfs/dbraw/zinc/96/75/86/1200967586.db2.gz FKRZAPLRAUCQEF-OAHLLOKOSA-N 1 0 381.440 0.796 20 30 GCEDRO CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000567068308 1201018006 /nfs/dbraw/zinc/01/80/06/1201018006.db2.gz KTJHWVQOLYZLDB-INIZCTEOSA-N 1 0 381.440 0.689 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000559452440 1201078586 /nfs/dbraw/zinc/07/85/86/1201078586.db2.gz MEWSMRRLZKETAC-UHFFFAOYSA-N 1 0 397.483 0.633 20 30 GCEDRO C[C@@H](C(=O)N1CCN(c2ccccn2)CC1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000556344826 1201111647 /nfs/dbraw/zinc/11/16/47/1201111647.db2.gz WYKKWENHOQFUKE-HNNXBMFYSA-N 1 0 396.499 0.860 20 30 GCEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000556107321 1201113711 /nfs/dbraw/zinc/11/37/11/1201113711.db2.gz FPHAEHTXYAOYMZ-ZDUSSCGKSA-N 1 0 375.477 0.245 20 30 GCEDRO COC(=O)C1CCN(C(=O)[C@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000534096143 1201129870 /nfs/dbraw/zinc/12/98/70/1201129870.db2.gz DKKCQLVPTASQFH-LBPRGKRZSA-N 1 0 376.461 0.528 20 30 GCEDRO C#CCN1CCC[C@@H](NC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)C1 ZINC000923575332 1201147830 /nfs/dbraw/zinc/14/78/30/1201147830.db2.gz XWMFYNXELHHRGM-QGZVFWFLSA-N 1 0 386.496 0.817 20 30 GCEDRO C=CCN1CC[C@@H]([NH2+]CC2(O)CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1=O ZINC000946926269 1201163112 /nfs/dbraw/zinc/16/31/12/1201163112.db2.gz ZVBVNYIJQKOECY-SUMCQTLJSA-N 1 0 389.496 0.140 20 30 GCEDRO C#CCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(OC)c(OC)c2)C1 ZINC000923591343 1201171918 /nfs/dbraw/zinc/17/19/18/1201171918.db2.gz WYGQMKXJSYNRRH-AWEZNQCLSA-N 1 0 395.481 0.196 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cn2nc(-c3ccccc3)oc2=O)c1C#N ZINC000611166257 1201220953 /nfs/dbraw/zinc/22/09/53/1201220953.db2.gz CZKGRJFLAWHPHC-UHFFFAOYSA-N 1 0 381.396 0.889 20 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377.485 0.405 20 30 GCEDRO CCC[C@H]1CN(C(=O)CCNC(=O)C2N=CC=CC2=O)CC[N@@H+]1CCOC ZINC000767123863 1201966858 /nfs/dbraw/zinc/96/68/58/1201966858.db2.gz ULXKHCGRUPAHKL-MJWGMMHASA-N 1 0 378.473 0.862 20 30 GCEDRO C=CCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)NC(C)(C)C1=O ZINC001109065339 1201992215 /nfs/dbraw/zinc/99/22/15/1201992215.db2.gz KQGXJUYHTPFONN-ILXRZTDVSA-N 1 0 378.473 0.631 20 30 GCEDRO C#CCNC(=O)CC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(C(=O)NC)cc1 ZINC001109168441 1201999736 /nfs/dbraw/zinc/99/97/36/1201999736.db2.gz XXIPOWNVKUHWLH-SQNIBIBYSA-N 1 0 382.464 0.407 20 30 GCEDRO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC001109270475 1202010422 /nfs/dbraw/zinc/01/04/22/1202010422.db2.gz ININVPQESWHUAA-QPSCCSFWSA-N 1 0 378.391 0.688 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109304204 1202018317 /nfs/dbraw/zinc/01/83/17/1202018317.db2.gz PACOYSSLUPXVRD-GFEQUFNTSA-N 1 0 379.501 0.842 20 30 GCEDRO 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C=CCNC(=O)NC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[N@H+]1CC[C@@H](C)C1)C2 ZINC001109719084 1202111478 /nfs/dbraw/zinc/11/14/78/1202111478.db2.gz UHRMXCALVDDEEQ-WCVJEAGWSA-N 1 0 377.489 0.062 20 30 GCEDRO CC[NH+](CC)CC#C[C@H](C)OC(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000770801340 1202114086 /nfs/dbraw/zinc/11/40/86/1202114086.db2.gz HKRKZUFQERYZMZ-AWEZNQCLSA-N 1 0 389.456 0.101 20 30 GCEDRO C=CCNC(=O)CN1[C@@H]2CC[C@H]1[C@@H](NC(=O)COC[C@H](C)[NH+]1CCCC1)C2 ZINC001109733573 1202114733 /nfs/dbraw/zinc/11/47/33/1202114733.db2.gz WIYLDWICXIWGLL-MHORFTMASA-N 1 0 378.517 0.511 20 30 GCEDRO C[C@H](NS(C)(=O)=O)C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1cccc(C#N)c1 ZINC001109760673 1202118656 /nfs/dbraw/zinc/11/86/56/1202118656.db2.gz MBUBLOZAEASQJI-IEAZIUSSSA-N 1 0 376.482 0.717 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCOCCNC(C)=O ZINC001109826574 1202130213 /nfs/dbraw/zinc/13/02/13/1202130213.db2.gz OFXRUILYJJWYPN-BCYZHJNNSA-N 1 0 379.501 0.842 20 30 GCEDRO 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OUUWFKRRQWRUFD-BHIYHBOVSA-N 1 0 399.495 0.864 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001183042703 1205885642 /nfs/dbraw/zinc/88/56/42/1205885642.db2.gz AUEQCJXQTFFEFT-HXUWFJFHSA-N 1 0 387.484 0.563 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001183043293 1205885752 /nfs/dbraw/zinc/88/57/52/1205885752.db2.gz OUUWFKRRQWRUFD-QXAKKESOSA-N 1 0 399.495 0.864 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1Cc2ccnn2C[C@H](C(=O)NCCOC)C1 ZINC001183043242 1205885753 /nfs/dbraw/zinc/88/57/53/1205885753.db2.gz NJHDNKZYPVTOIN-MRXNPFEDSA-N 1 0 375.473 0.256 20 30 GCEDRO C=CCSCC(=O)N1CCC2(CC1)NC(=O)[C@H]1C[N@@H+](CCN(C)C)C[C@@H]12 ZINC001273479527 1205889035 /nfs/dbraw/zinc/88/90/35/1205889035.db2.gz LRNKIDGSZWNWLG-HOTGVXAUSA-N 1 0 380.558 0.506 20 30 GCEDRO C=C1CN(C(=O)OC(C)(C)C)[C@](C)(C(=O)NCCN(CC[NH3+])N(O)N=O)C1 ZINC001183625900 1205896902 /nfs/dbraw/zinc/89/69/02/1205896902.db2.gz QTXHDISZZJFMDE-INIZCTEOSA-N 1 0 386.453 0.607 20 30 GCEDRO C=C(CC(=O)OCCCC)C(=O)N(Cc1noc2c1C[NH2+]CC2)S(C)(=O)=O ZINC001184308196 1205907680 /nfs/dbraw/zinc/90/76/80/1205907680.db2.gz GYEGATIGPQHGGB-UHFFFAOYSA-N 1 0 399.469 0.898 20 30 GCEDRO CN(Cc1ccccc1)[C@@H](CO)C(=O)n1c(N)c(C#N)c(N)nc1=NC1CC1 ZINC001185223254 1205917867 /nfs/dbraw/zinc/91/78/67/1205917867.db2.gz CPYHXBJBNDBHPI-HNNXBMFYSA-N 1 0 381.440 0.115 20 30 GCEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccs1 ZINC000774853964 1205920422 /nfs/dbraw/zinc/92/04/22/1205920422.db2.gz IJRYJEVXGIQGNX-AWEZNQCLSA-N 1 0 386.481 0.962 20 30 GCEDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1ccccc1 ZINC000774923746 1205928758 /nfs/dbraw/zinc/92/87/58/1205928758.db2.gz NWKPCHAOZXALKM-SFHVURJKSA-N 1 0 394.479 0.770 20 30 GCEDRO CS(=O)(=O)N(CC[NH3+])C(=O)c1cc(C#N)ccc1I ZINC001185780710 1205928925 /nfs/dbraw/zinc/92/89/25/1205928925.db2.gz BCBIRPXHGUMDNL-UHFFFAOYSA-N 1 0 393.206 0.523 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCO1 ZINC000774953878 1205932036 /nfs/dbraw/zinc/93/20/36/1205932036.db2.gz CIENQDCIDDESAB-PMACEKPBSA-N 1 0 398.507 0.217 20 30 GCEDRO CC#CC[NH2+]C[C@@H]1CN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC12CCOCC2 ZINC001186434416 1205939779 /nfs/dbraw/zinc/93/97/79/1205939779.db2.gz UQUMYNKAKKPUHP-ZSYWTGECSA-N 1 0 376.497 0.906 20 30 GCEDRO CC[NH+]1CCN(c2ccc(Nc3c(C#N)c(=O)n(C)c(=O)n3C)cc2F)CC1 ZINC001187405717 1205962381 /nfs/dbraw/zinc/96/23/81/1205962381.db2.gz QQSSOLLWEOLBGS-UHFFFAOYSA-N 1 0 386.431 0.980 20 30 GCEDRO N#CC1(NC(=O)CNC(=O)[C@@H]2CCC(=O)N2)CC[NH+](Cc2ccccc2)CC1 ZINC001187525613 1205964692 /nfs/dbraw/zinc/96/46/92/1205964692.db2.gz DRWJAFVONOTUNY-INIZCTEOSA-N 1 0 383.452 0.056 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000775188754 1205989528 /nfs/dbraw/zinc/98/95/28/1205989528.db2.gz DDWIQEVYRWTPMT-MRXNPFEDSA-N 1 0 392.525 0.365 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NCc3cccnc3)C[C@H]21 ZINC001189167135 1205999223 /nfs/dbraw/zinc/99/92/23/1205999223.db2.gz BZDNKZCBXVEKOK-MANSERQUSA-N 1 0 384.480 0.822 20 30 GCEDRO Cn1nnc2c1CCN(c1cnc(C#N)c(C#N)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164716638 720198973 /nfs/dbraw/zinc/19/89/73/720198973.db2.gz QLYWSVQFDPGBOJ-KRWDZBQOSA-N 1 0 393.455 0.565 20 30 GCEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncc([N+](=O)[O-])cc1C#N)CC2 ZINC001164751523 720952990 /nfs/dbraw/zinc/95/29/90/720952990.db2.gz SUURUAIADMHWBM-UHFFFAOYSA-N 1 0 385.384 0.704 20 30 GCEDRO C[NH+]1CCN(Cc2cn3c(n2)CN(c2ncc4c(C#N)c[nH]c4n2)CC3)CC1 ZINC001164797759 721517374 /nfs/dbraw/zinc/51/73/74/721517374.db2.gz MMAZSRIGCDPSRV-UHFFFAOYSA-N 1 0 377.456 0.794 20 30 GCEDRO COC(=O)c1cc(C#N)cnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164795902 721521500 /nfs/dbraw/zinc/52/15/00/721521500.db2.gz UQJSYVSRGVFZMD-UHFFFAOYSA-N 1 0 395.467 0.704 20 30 GCEDRO N#Cc1ccccc1C[NH2+]C[C@@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571309653 946450212 /nfs/dbraw/zinc/45/02/12/946450212.db2.gz GWMHIIXARDDAMP-OAHLLOKOSA-N 1 0 392.423 0.697 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573282465 946693638 /nfs/dbraw/zinc/69/36/38/946693638.db2.gz JFTBFZDOMLTUDZ-OLZOCXBDSA-N 1 0 383.460 0.307 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573284885 946759390 /nfs/dbraw/zinc/75/93/90/946759390.db2.gz AENCDKIXKMJRQS-UKRRQHHQSA-N 1 0 384.440 0.604 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573284949 946761665 /nfs/dbraw/zinc/76/16/65/946761665.db2.gz AWQWYBDPSKQBPH-STQMWFEESA-N 1 0 386.431 0.981 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573284946 946763029 /nfs/dbraw/zinc/76/30/29/946763029.db2.gz AWQWYBDPSKQBPH-OLZOCXBDSA-N 1 0 386.431 0.981 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573286112 946793851 /nfs/dbraw/zinc/79/38/51/946793851.db2.gz UHWBNVBKQZLVJU-ZTFGCOKTSA-N 1 0 380.452 0.938 20 30 GCEDRO C#CCOCCC(=O)N(C)[C@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573288330 946865660 /nfs/dbraw/zinc/86/56/60/946865660.db2.gz UMGUJBPFKJHAMS-QGZVFWFLSA-N 1 0 383.456 0.681 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)nc1 ZINC001573290455 946905522 /nfs/dbraw/zinc/90/55/22/946905522.db2.gz JXYWQAKKTXIAQY-SHTZXODSSA-N 1 0 388.435 0.989 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573562766 946980595 /nfs/dbraw/zinc/98/05/95/946980595.db2.gz XPHPGRNNAPVRIJ-DGCLKSJQSA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573565102 946998862 /nfs/dbraw/zinc/99/88/62/946998862.db2.gz MYTXEGVDDAOEID-CQSZACIVSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573566278 947021996 /nfs/dbraw/zinc/02/19/96/947021996.db2.gz AJBFELLCKFAVSF-SGTLLEGYSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567732 947053676 /nfs/dbraw/zinc/05/36/76/947053676.db2.gz RNOFOOSIEWZKJP-OCCSQVGLSA-N 1 0 387.419 0.873 20 30 GCEDRO C=C1CC(C)(C(=O)NC[C@]2(O)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573296939 947057432 /nfs/dbraw/zinc/05/74/32/947057432.db2.gz BVAIBBFIYDVORF-LJQANCHMSA-N 1 0 383.456 0.984 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573567815 947058155 /nfs/dbraw/zinc/05/81/55/947058155.db2.gz SZRHXRHCKHGUIC-XIKOKIGWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568166 947067830 /nfs/dbraw/zinc/06/78/30/947067830.db2.gz YVUVLRJTLNPKRN-SGTLLEGYSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C(Cl)C[NH2+]C1CCN(CCNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)CC1 ZINC001573298251 947072216 /nfs/dbraw/zinc/07/22/16/947072216.db2.gz OHTZWGDKDRCJFV-UHFFFAOYSA-N 1 0 378.868 0.731 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573573477 947121769 /nfs/dbraw/zinc/12/17/69/947121769.db2.gz NXCCXUKPZNPDJE-NSHDSACASA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001573583756 947207467 /nfs/dbraw/zinc/20/74/67/947207467.db2.gz OJQIETCEBGSNDI-NSHDSACASA-N 1 0 387.423 0.553 20 30 GCEDRO C[C@@H](C#N)C(=O)NC[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573584266 947216651 /nfs/dbraw/zinc/21/66/51/947216651.db2.gz SHHUPKOKYQMPKI-NWDGAFQWSA-N 1 0 375.458 0.795 20 30 GCEDRO C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573584516 947224526 /nfs/dbraw/zinc/22/45/26/947224526.db2.gz XDZROMOOTHAAAP-CQSZACIVSA-N 1 0 382.472 0.697 20 30 GCEDRO C=CCOCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573343068 947551869 /nfs/dbraw/zinc/55/18/69/947551869.db2.gz IYRIYLBQTFSNSV-SFHVURJKSA-N 1 0 390.419 0.261 20 30 GCEDRO C=CCn1cc(C(=O)N2CCC[C@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nn1 ZINC001573347285 947571171 /nfs/dbraw/zinc/57/11/71/947571171.db2.gz BKTBTXZYXUHJSP-LBPRGKRZSA-N 1 0 380.416 0.178 20 30 GCEDRO C=CCOCC[NH2+]C[C@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 ZINC001573348577 947586845 /nfs/dbraw/zinc/58/68/45/947586845.db2.gz SCOVUMCSURAPDC-AWEZNQCLSA-N 1 0 375.433 0.218 20 30 GCEDRO C=CCn1cc(C(=O)N[C@H](C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573351515 947615519 /nfs/dbraw/zinc/61/55/19/947615519.db2.gz RKYDRDGYWSGOQG-CYBMUJFWSA-N 1 0 381.444 0.942 20 30 GCEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001573351572 947616663 /nfs/dbraw/zinc/61/66/63/947616663.db2.gz SLJITFKROFUESL-CZUORRHYSA-N 1 0 393.455 0.895 20 30 GCEDRO C[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124581 952541399 /nfs/dbraw/zinc/54/13/99/952541399.db2.gz NQXZLGWYOCYQQP-WCQYABFASA-N 1 0 377.412 0.704 20 30 GCEDRO N#Cc1nc(NCc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cnc1-c1nn[nH]n1 ZINC001571128174 952564567 /nfs/dbraw/zinc/56/45/67/952564567.db2.gz PSZLMUHQRVRERQ-CQSZACIVSA-N 1 0 377.412 0.707 20 30 GCEDRO COCCNC(=[NH2+])NC[C@H](O)COc1ccc(I)cc1 ZINC000264278498 530155222 /nfs/dbraw/zinc/15/52/22/530155222.db2.gz NEFSHYVJVPCDNR-NSHDSACASA-N 1 0 393.225 0.582 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1cc(C#N)ccc1Cl ZINC000475803383 530113965 /nfs/dbraw/zinc/11/39/65/530113965.db2.gz JUIYXPIEPWCODH-UHFFFAOYSA-N 1 0 375.878 0.773 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCc1c(C)noc1C ZINC000261959769 530130923 /nfs/dbraw/zinc/13/09/23/530130923.db2.gz PBLSXJSKBMCJCC-UHFFFAOYSA-N 1 0 375.520 0.335 20 30 GCEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000409494858 530229428 /nfs/dbraw/zinc/22/94/28/530229428.db2.gz RYYLGSZOCWASFT-CABCVRRESA-N 1 0 375.539 0.395 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000409520866 530229596 /nfs/dbraw/zinc/22/95/96/530229596.db2.gz TYWZKXIBZVZCBL-HOTGVXAUSA-N 1 0 376.523 0.572 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000409520868 530229654 /nfs/dbraw/zinc/22/96/54/530229654.db2.gz TYWZKXIBZVZCBL-HZPDHXFCSA-N 1 0 376.523 0.572 20 30 GCEDRO C[C@H](NC(=O)COc1cccc(Br)c1C#N)C(=O)NCC[NH+](C)C ZINC000583450006 530274456 /nfs/dbraw/zinc/27/44/56/530274456.db2.gz CKXIJCLHQSKGCC-NSHDSACASA-N 1 0 397.273 0.882 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CCN(c2cccs2)CC1 ZINC000158915032 530327570 /nfs/dbraw/zinc/32/75/70/530327570.db2.gz WVQUNZHNXSJICO-AWEZNQCLSA-N 1 0 385.559 0.727 20 30 GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c1 ZINC000584183483 530359774 /nfs/dbraw/zinc/35/97/74/530359774.db2.gz JXDIILGVYDTPHV-AAEUAGOBSA-N 1 0 399.270 0.253 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1Br ZINC000583154449 530334455 /nfs/dbraw/zinc/33/44/55/530334455.db2.gz BMKYIOPBFFTCBP-GXFFZTMASA-N 1 0 399.270 0.253 20 30 GCEDRO [NH2+]=C(NCCCN1CCOCC1)NCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000170904853 530348910 /nfs/dbraw/zinc/34/89/10/530348910.db2.gz ILIRNESTHRRLRK-UHFFFAOYSA-N 1 0 388.921 0.740 20 30 GCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)COc2ccc(I)cc2)N1 ZINC000284920971 530387936 /nfs/dbraw/zinc/38/79/36/530387936.db2.gz BUGXQGVAEHARNN-KOLCDFICSA-N 1 0 375.210 0.968 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572319498 530511741 /nfs/dbraw/zinc/51/17/41/530511741.db2.gz XGNCNXCBJPFVSC-ZIAGYGMSSA-N 1 0 386.499 0.177 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000330411566 530519697 /nfs/dbraw/zinc/51/96/97/530519697.db2.gz KNCIMTZOILWOSY-HUUCEWRRSA-N 1 0 376.523 0.271 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000331359942 530548055 /nfs/dbraw/zinc/54/80/55/530548055.db2.gz XECIEBQEFUSZCR-AWEZNQCLSA-N 1 0 377.555 0.785 20 30 GCEDRO C[C@@H]1C[NH+](CCCNC(=O)N2CCC(CS(N)(=O)=O)CC2)C[C@@H](C)O1 ZINC000331269945 530542259 /nfs/dbraw/zinc/54/22/59/530542259.db2.gz AFJQQDHZAPMBEC-ZIAGYGMSSA-N 1 0 376.523 0.400 20 30 GCEDRO CN(C)S(=O)(=O)NCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000331310033 530545175 /nfs/dbraw/zinc/54/51/75/530545175.db2.gz BRZRSSNQPUVOHB-UHFFFAOYSA-N 1 0 393.579 0.248 20 30 GCEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(NS(=O)(=O)CC)c(F)c1 ZINC000293857465 530567416 /nfs/dbraw/zinc/56/74/16/530567416.db2.gz RPFJBEULLIXULR-UHFFFAOYSA-N 1 0 391.490 0.821 20 30 GCEDRO CC(C)(C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000520253977 530607276 /nfs/dbraw/zinc/60/72/76/530607276.db2.gz GRLWHSFMEOOJLP-AWEZNQCLSA-N 1 0 392.547 0.098 20 30 GCEDRO C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CCSC1 ZINC000329231646 530608805 /nfs/dbraw/zinc/60/88/05/530608805.db2.gz KUAPZKASTLKSAB-CZUORRHYSA-N 1 0 390.575 0.884 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCSC1 ZINC000329282877 530610037 /nfs/dbraw/zinc/61/00/37/530610037.db2.gz NDGUGHVNGCIWSC-HNNXBMFYSA-N 1 0 378.564 0.599 20 30 GCEDRO C[C@@H]1C[C@H](N(C)C(=O)NCCS(=O)(=O)N2CCSCC2)CC[N@@H+]1C ZINC000329803303 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GCEDRO COCC[NH2+]CCNC(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000418510744 1189808019 /nfs/dbraw/zinc/80/80/19/1189808019.db2.gz PYSUKMJWOGBQFX-UHFFFAOYSA-N 1 0 388.428 0.874 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000893371006 1189817407 /nfs/dbraw/zinc/81/74/07/1189817407.db2.gz UXPBFSZNKIRZEJ-UHFFFAOYSA-N 1 0 387.550 0.290 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)cc1 ZINC000893394321 1189879583 /nfs/dbraw/zinc/87/95/83/1189879583.db2.gz UQNIXIZHXWRMDQ-HNNXBMFYSA-N 1 0 380.466 0.866 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC000661008542 1189979998 /nfs/dbraw/zinc/97/99/98/1189979998.db2.gz ZKBLUJNZRZKUNL-OALUTQOASA-N 1 0 398.507 0.965 20 30 GCEDRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000575861766 1193728234 /nfs/dbraw/zinc/72/82/34/1193728234.db2.gz ILUORZZMVFDHOP-GOSISDBHSA-N 1 0 388.468 0.163 20 30 GCEDRO CC(=O)N1CCN(C(=O)CC[NH2+]C[C@H](O)COc2ccc(CC#N)cc2)CC1 ZINC000575861767 1193728339 /nfs/dbraw/zinc/72/83/39/1193728339.db2.gz ILUORZZMVFDHOP-SFHVURJKSA-N 1 0 388.468 0.163 20 30 GCEDRO CC[NH+]=C(NCc1ccc(OC)nc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261736110 1193837144 /nfs/dbraw/zinc/83/71/44/1193837144.db2.gz KBPRLLIIPAMILG-LJQANCHMSA-N 1 0 388.472 0.866 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000419354293 1193851605 /nfs/dbraw/zinc/85/16/05/1193851605.db2.gz DPPAMTZZCQURJI-HNNXBMFYSA-N 1 0 377.441 0.235 20 30 GCEDRO CC[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261746642 1193860330 /nfs/dbraw/zinc/86/03/30/1193860330.db2.gz LIMLTLBGRUIJDS-SFHVURJKSA-N 1 0 390.444 0.154 20 30 GCEDRO C[NH+]=C(NCCC(=O)NC(C)(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261775884 1193889305 /nfs/dbraw/zinc/88/93/05/1193889305.db2.gz OPABZYMLGJWQFF-SFHVURJKSA-N 1 0 380.493 0.177 20 30 GCEDRO CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)CC[N@H+](C)CC1 ZINC000894187270 1193897059 /nfs/dbraw/zinc/89/70/59/1193897059.db2.gz XAEQVZGUXIGXQS-HOTGVXAUSA-N 1 0 394.520 0.634 20 30 GCEDRO C[NH+]=C(NCCC(=O)NC1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261611356 1193921181 /nfs/dbraw/zinc/92/11/81/1193921181.db2.gz ABFYDWBAFJMIRK-UHFFFAOYSA-N 1 0 389.504 0.483 20 30 GCEDRO CC[NH+]=C(NCc1cn2ccccc2n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612172 1193921309 /nfs/dbraw/zinc/92/13/09/1193921309.db2.gz AFOAPZWLHNFHSF-UHFFFAOYSA-N 1 0 380.456 0.882 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261741295 1193924228 /nfs/dbraw/zinc/92/42/28/1193924228.db2.gz MLAXNOMDLSKOHE-OAQYLSRUSA-N 1 0 387.528 0.667 20 30 GCEDRO [NH2+]=C(NCc1ccccc1Cn1cncn1)N1CCN(c2ncccn2)CC1 ZINC000261785474 1193926653 /nfs/dbraw/zinc/92/66/53/1193926653.db2.gz UIAKVIRRLODVAF-UHFFFAOYSA-N 1 0 377.456 0.753 20 30 GCEDRO CC[NH+]=C(NCCN1CCSCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261833448 1193928079 /nfs/dbraw/zinc/92/80/79/1193928079.db2.gz VOSQDWYODJZYQI-UHFFFAOYSA-N 1 0 379.534 0.083 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261936564 1193932594 /nfs/dbraw/zinc/93/25/94/1193932594.db2.gz CNTYQWKKYCIUQR-LSDHHAIUSA-N 1 0 381.502 0.392 20 30 GCEDRO CC[NH+]=C(NCCNC(=O)c1cccnc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261946758 1193932600 /nfs/dbraw/zinc/93/26/00/1193932600.db2.gz GCBFBXKWNHBQLF-UHFFFAOYSA-N 1 0 381.502 0.286 20 30 GCEDRO C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000261970600 1193933721 /nfs/dbraw/zinc/93/37/21/1193933721.db2.gz MPCOTHGPWLMNGL-SJLPKXTDSA-N 1 0 375.521 0.506 20 30 GCEDRO [NH2+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000262009417 1193935432 /nfs/dbraw/zinc/93/54/32/1193935432.db2.gz SRSWHBNRFAPJDC-UHFFFAOYSA-N 1 0 382.472 0.345 20 30 GCEDRO Cc1nc2n(n1)C[C@H](NC(NCc1cccs1)=[NH+]CC(=O)N(C)C)CC2 ZINC000262293403 1193944416 /nfs/dbraw/zinc/94/44/16/1193944416.db2.gz LUFUTSNBCAKWBA-CYBMUJFWSA-N 1 0 375.502 0.786 20 30 GCEDRO CCC[NH+]=C(NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000262325424 1193944997 /nfs/dbraw/zinc/94/49/97/1193944997.db2.gz TURMUHKVVYQUSU-AWEZNQCLSA-N 1 0 387.492 0.079 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCC(=O)N(C)C1)N[C@H]1CCc2ccccc2C1 ZINC000262328686 1193945428 /nfs/dbraw/zinc/94/54/28/1193945428.db2.gz UNDNJBVTHACOKW-ZWKOTPCHSA-N 1 0 385.512 0.788 20 30 GCEDRO C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000262352677 1193945790 /nfs/dbraw/zinc/94/57/90/1193945790.db2.gz ZCZGJTGTAIMFCS-OAHLLOKOSA-N 1 0 399.503 0.245 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ccccc2C1)N[C@@H]1CCc2ncnn2C1 ZINC000262347611 1193945839 /nfs/dbraw/zinc/94/58/39/1193945839.db2.gz YIDRXGCHOYEOSZ-QZTJIDSGSA-N 1 0 395.511 0.774 20 30 GCEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262389125 1193946651 /nfs/dbraw/zinc/94/66/51/1193946651.db2.gz LTVFXPXSOKXWDR-HOTGVXAUSA-N 1 0 394.545 0.777 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262462465 1193948696 /nfs/dbraw/zinc/94/86/96/1193948696.db2.gz MTCTVPNAWLYZJY-QGZVFWFLSA-N 1 0 375.521 0.339 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262513721 1193950092 /nfs/dbraw/zinc/95/00/92/1193950092.db2.gz BZWOEYDTFACMDW-SFHVURJKSA-N 1 0 399.495 0.474 20 30 GCEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262573749 1193951204 /nfs/dbraw/zinc/95/12/04/1193951204.db2.gz NRRCXVUPEBVDGE-MRXNPFEDSA-N 1 0 377.514 0.770 20 30 GCEDRO C[NH+]=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262585568 1193951689 /nfs/dbraw/zinc/95/16/89/1193951689.db2.gz SHDDSTMYCUUZOI-MRXNPFEDSA-N 1 0 375.429 0.993 20 30 GCEDRO C[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CCN(c2ncccn2)CC1 ZINC000262594732 1193952153 /nfs/dbraw/zinc/95/21/53/1193952153.db2.gz WFCMEFKLCURTMI-UHFFFAOYSA-N 1 0 396.499 0.606 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262683593 1193953471 /nfs/dbraw/zinc/95/34/71/1193953471.db2.gz XIUHRCHXWLXGFR-HUUCEWRRSA-N 1 0 395.533 0.021 20 30 GCEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@H]1CCC(=O)N(C)C1 ZINC000262745232 1193954957 /nfs/dbraw/zinc/95/49/57/1193954957.db2.gz ABZSKFAVUMALKE-HNNXBMFYSA-N 1 0 375.473 0.925 20 30 GCEDRO C[NH+]=C(NCCNS(C)(=O)=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000262770547 1193955246 /nfs/dbraw/zinc/95/52/46/1193955246.db2.gz HOEJICXCBCXHJD-HNNXBMFYSA-N 1 0 385.509 0.817 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262814318 1193956393 /nfs/dbraw/zinc/95/63/93/1193956393.db2.gz VGEUNQUBHLCLLQ-HZPDHXFCSA-N 1 0 383.504 0.773 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262814316 1193956522 /nfs/dbraw/zinc/95/65/22/1193956522.db2.gz VGEUNQUBHLCLLQ-CVEARBPZSA-N 1 0 383.504 0.773 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262842549 1193957001 /nfs/dbraw/zinc/95/70/01/1193957001.db2.gz UYNBUODNOAFZBN-QGZVFWFLSA-N 1 0 386.456 0.504 20 30 GCEDRO [NH2+]=C(NCC(=O)Nc1ccc(F)c(F)c1F)N1CCN(c2ncccn2)CC1 ZINC000263116358 1193962478 /nfs/dbraw/zinc/96/24/78/1193962478.db2.gz FYPIUSZCMNEMQL-UHFFFAOYSA-N 1 0 393.373 0.969 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@H](C)C[NH2+]1 ZINC000419613611 1194073611 /nfs/dbraw/zinc/07/36/11/1194073611.db2.gz LAZSZSGZSHLPMX-QBBMROGASA-N 1 0 385.468 0.968 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419731610 1194090102 /nfs/dbraw/zinc/09/01/02/1194090102.db2.gz OMKZNWIQRHOTCW-LHUBUQBQSA-N 1 0 385.468 0.874 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419731614 1194090146 /nfs/dbraw/zinc/09/01/46/1194090146.db2.gz OMKZNWIQRHOTCW-MFNRNEDNSA-N 1 0 385.468 0.874 20 30 GCEDRO N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000419715897 1194091886 /nfs/dbraw/zinc/09/18/86/1194091886.db2.gz ZYWANEQHTCZDOB-QGZVFWFLSA-N 1 0 385.468 0.063 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000419726171 1194093472 /nfs/dbraw/zinc/09/34/72/1194093472.db2.gz GYQHLZMVOSLRFE-MRLCAUJQSA-N 1 0 397.479 0.827 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419852265 1194119817 /nfs/dbraw/zinc/11/98/17/1194119817.db2.gz CKCJTFUAFNBPNM-IBGZPJMESA-N 1 0 383.496 0.708 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419885542 1194133554 /nfs/dbraw/zinc/13/35/54/1194133554.db2.gz KDDGAQJCVJPKBO-GOEBONIOSA-N 1 0 387.459 0.850 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000419889394 1194134226 /nfs/dbraw/zinc/13/42/26/1194134226.db2.gz GZSAGNATNQRSBQ-AWEZNQCLSA-N 1 0 375.860 0.728 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000419902625 1194137379 /nfs/dbraw/zinc/13/73/79/1194137379.db2.gz VFKQWAPWARKVRR-QGZVFWFLSA-N 1 0 383.452 0.604 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000419919429 1194138682 /nfs/dbraw/zinc/13/86/82/1194138682.db2.gz VRZIWXHLQBMMDA-GOSISDBHSA-N 1 0 383.496 0.708 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@]12C(=O)Nc1ccccc12 ZINC000419920004 1194138716 /nfs/dbraw/zinc/13/87/16/1194138716.db2.gz BNFXLVYFTRDPOM-CKNLXJGOSA-N 1 0 381.436 0.117 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419907535 1194140956 /nfs/dbraw/zinc/14/09/56/1194140956.db2.gz XPJFDTUCEIQHCU-VQIMIIECSA-N 1 0 383.496 0.707 20 30 GCEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419956164 1194144036 /nfs/dbraw/zinc/14/40/36/1194144036.db2.gz SGUSTOXNNDCLSW-CQSZACIVSA-N 1 0 385.468 0.707 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419956159 1194144324 /nfs/dbraw/zinc/14/43/24/1194144324.db2.gz SGUSTOXNNDCLSW-AWEZNQCLSA-N 1 0 385.468 0.707 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000419945664 1194147394 /nfs/dbraw/zinc/14/73/94/1194147394.db2.gz KKMHGDJSSDWVTH-LJQANCHMSA-N 1 0 383.496 0.851 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000419962253 1194147969 /nfs/dbraw/zinc/14/79/69/1194147969.db2.gz UAAKGAACOWRWTE-JZKQVHKSSA-N 1 0 383.452 0.348 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419969292 1194149737 /nfs/dbraw/zinc/14/97/37/1194149737.db2.gz RQFVXSXXIUXYCY-ZBFHGGJFSA-N 1 0 399.499 0.409 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420023114 1194158300 /nfs/dbraw/zinc/15/83/00/1194158300.db2.gz WZMKRPHZSPHZSL-WMLDXEAASA-N 1 0 387.459 0.980 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420011900 1194161528 /nfs/dbraw/zinc/16/15/28/1194161528.db2.gz HIKUYAXLLVIBPY-QLFBSQMISA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420015237 1194162058 /nfs/dbraw/zinc/16/20/58/1194162058.db2.gz LPHMJFWBILSELJ-CXAGYDPISA-N 1 0 382.486 0.044 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000420059316 1194163824 /nfs/dbraw/zinc/16/38/24/1194163824.db2.gz JMPZRQNQMJCQQV-KRWDZBQOSA-N 1 0 383.452 0.589 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000420070097 1194172211 /nfs/dbraw/zinc/17/22/11/1194172211.db2.gz JEZDAPFAGPHKIO-LJQANCHMSA-N 1 0 383.496 0.836 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420100581 1194177308 /nfs/dbraw/zinc/17/73/08/1194177308.db2.gz ZXCVNNWDKYHAFU-UHFFFAOYSA-N 1 0 398.423 0.452 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]C1 ZINC000420100868 1194178134 /nfs/dbraw/zinc/17/81/34/1194178134.db2.gz KVEZFMHMENVHQO-NQIIRXRSSA-N 1 0 383.496 0.729 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCC2([NH3+])CCC2)CC1 ZINC000420092914 1194183137 /nfs/dbraw/zinc/18/31/37/1194183137.db2.gz OWBXPVYYIGSCRH-UHFFFAOYSA-N 1 0 392.463 0.753 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3([NH3+])CCC3)CC2)c(Cl)c1 ZINC000420094116 1194183680 /nfs/dbraw/zinc/18/36/80/1194183680.db2.gz QTDSGHGNTROIMV-UHFFFAOYSA-N 1 0 375.860 0.858 20 30 GCEDRO CC1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC[NH2+]CC1 ZINC000420124105 1194188327 /nfs/dbraw/zinc/18/83/27/1194188327.db2.gz PMRPLLDIAUIPKZ-UHFFFAOYSA-N 1 0 387.459 0.852 20 30 GCEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000420162074 1194191830 /nfs/dbraw/zinc/19/18/30/1194191830.db2.gz CXPXTBLFHHPTLB-INIZCTEOSA-N 1 0 384.484 0.496 20 30 GCEDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420153225 1194194284 /nfs/dbraw/zinc/19/42/84/1194194284.db2.gz COIXSOZJAKDDFR-RDTXWAMCSA-N 1 0 397.479 0.992 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000420205623 1194204606 /nfs/dbraw/zinc/20/46/06/1194204606.db2.gz NSEXHDYCWKCSIG-BRWVUGGUSA-N 1 0 399.470 0.850 20 30 GCEDRO COCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420187554 1194205185 /nfs/dbraw/zinc/20/51/85/1194205185.db2.gz RPILLPAKERCGFO-UHFFFAOYSA-N 1 0 393.875 0.212 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000420196471 1194208722 /nfs/dbraw/zinc/20/87/22/1194208722.db2.gz UTLHDWXDMKBFKQ-QGZVFWFLSA-N 1 0 385.468 0.092 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000501609869 1194211433 /nfs/dbraw/zinc/21/14/33/1194211433.db2.gz CTUYFDGOAMRCLR-NUJGCVRESA-N 1 0 379.501 0.701 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000501609868 1194211677 /nfs/dbraw/zinc/21/16/77/1194211677.db2.gz CTUYFDGOAMRCLR-JZXOWHBKSA-N 1 0 379.501 0.701 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000420211854 1194213313 /nfs/dbraw/zinc/21/33/13/1194213313.db2.gz ORHFRMYMRJCIKM-UAFMIMERSA-N 1 0 395.507 0.727 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000420211848 1194213620 /nfs/dbraw/zinc/21/36/20/1194213620.db2.gz ORHFRMYMRJCIKM-IYWMVGAKSA-N 1 0 395.507 0.727 20 30 GCEDRO CC[NH+]=C(NCc1nncn1CC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261829764 1194258163 /nfs/dbraw/zinc/25/81/63/1194258163.db2.gz VJZGRYNTLPGCNQ-KRWDZBQOSA-N 1 0 376.465 0.074 20 30 GCEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261831814 1194280796 /nfs/dbraw/zinc/28/07/96/1194280796.db2.gz VOAXXIXUEQEJIU-LJQANCHMSA-N 1 0 392.504 0.321 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1OCC ZINC000983036951 1194344373 /nfs/dbraw/zinc/34/43/73/1194344373.db2.gz FQHJIHANAQZLQA-AKHDSKFASA-N 1 0 393.528 0.899 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502867452 1194364650 /nfs/dbraw/zinc/36/46/50/1194364650.db2.gz DSRZHSGMIXVBQH-OAGGEKHMSA-N 1 0 389.525 0.961 20 30 GCEDRO CN(CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000609509391 1194370801 /nfs/dbraw/zinc/37/08/01/1194370801.db2.gz WVLXAZVNYBMHST-INIZCTEOSA-N 1 0 376.482 0.874 20 30 GCEDRO CCOCCC[NH+]=C(NCCN1CCNC(=O)C1)NCc1ccc(OC)cc1 ZINC000272622068 1194479034 /nfs/dbraw/zinc/47/90/34/1194479034.db2.gz JUQYSFJNMORUTM-UHFFFAOYSA-N 1 0 391.516 0.589 20 30 GCEDRO CC[N@H+](CCOCCO)CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000503391523 1194661327 /nfs/dbraw/zinc/66/13/27/1194661327.db2.gz MDVWQXBKYVNVHJ-INIZCTEOSA-N 1 0 380.514 0.788 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@@H]1C[NH3+] ZINC000423009861 1194717045 /nfs/dbraw/zinc/71/70/45/1194717045.db2.gz FFENEIGAHCISFG-APWZRJJASA-N 1 0 383.496 0.646 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000423051845 1194725234 /nfs/dbraw/zinc/72/52/34/1194725234.db2.gz OIPDNBKVPCJIJI-UHFFFAOYSA-N 1 0 384.484 0.450 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423083805 1194726332 /nfs/dbraw/zinc/72/63/32/1194726332.db2.gz HAZVQOUNVLZHDO-SFHVURJKSA-N 1 0 397.479 0.187 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000423123149 1194728797 /nfs/dbraw/zinc/72/87/97/1194728797.db2.gz DGWVKTNNZZCQDQ-KRWDZBQOSA-N 1 0 385.468 0.173 20 30 GCEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000423124114 1194729181 /nfs/dbraw/zinc/72/91/81/1194729181.db2.gz LZVIOWVNQMAFOS-ZDUSSCGKSA-N 1 0 398.423 0.275 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000423146581 1194730658 /nfs/dbraw/zinc/73/06/58/1194730658.db2.gz PSCGBWJOBVPLQM-GJZGRUSLSA-N 1 0 387.459 0.932 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423158079 1194732735 /nfs/dbraw/zinc/73/27/35/1194732735.db2.gz WEOQSYHPURKVRW-IAGOWNOFSA-N 1 0 382.464 0.996 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000423208414 1194736564 /nfs/dbraw/zinc/73/65/64/1194736564.db2.gz DYMTXWGHQHQPEX-UHFFFAOYSA-N 1 0 387.459 0.804 20 30 GCEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC000423214653 1194740299 /nfs/dbraw/zinc/74/02/99/1194740299.db2.gz LPSBDNCKFZMFEK-INIZCTEOSA-N 1 0 392.463 0.575 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C[C@@H]1C[NH3+] ZINC000423321300 1194747482 /nfs/dbraw/zinc/74/74/82/1194747482.db2.gz FKSARVYENCYELN-NEWSRXKRSA-N 1 0 383.496 0.666 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CCN1Cc1ccccc1 ZINC000423337471 1194750022 /nfs/dbraw/zinc/75/00/22/1194750022.db2.gz RAKUWLKGURHUJQ-LJQANCHMSA-N 1 0 395.507 0.825 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000423338414 1194750046 /nfs/dbraw/zinc/75/00/46/1194750046.db2.gz RNCOOMTWXVWAQF-QXAKKESOSA-N 1 0 383.496 0.809 20 30 GCEDRO Cc1nn(C)c(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)c1C#N ZINC000423454675 1194759411 /nfs/dbraw/zinc/75/94/11/1194759411.db2.gz ZIZWGRLFIQFEKU-MRXNPFEDSA-N 1 0 389.504 0.081 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423527040 1194763337 /nfs/dbraw/zinc/76/33/37/1194763337.db2.gz LYJXMJRGPBKCGQ-AQNXPRMDSA-N 1 0 395.507 0.791 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3C[C@@H](C[NH3+])C4(C3)CCOCC4)C2)cc1 ZINC000423558509 1194763662 /nfs/dbraw/zinc/76/36/62/1194763662.db2.gz JEGJFESEMXPGRQ-MRXNPFEDSA-N 1 0 398.463 0.362 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000423560747 1194764030 /nfs/dbraw/zinc/76/40/30/1194764030.db2.gz LMEVFTXYROGXCP-XCLFUZPHSA-N 1 0 381.436 0.069 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@H]1C ZINC000423538808 1194765101 /nfs/dbraw/zinc/76/51/01/1194765101.db2.gz HEPHDZBVRKAWCZ-HUUCEWRRSA-N 1 0 387.488 0.217 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000423555730 1194766203 /nfs/dbraw/zinc/76/62/03/1194766203.db2.gz GHYCVKDDLIZSTL-KRWDZBQOSA-N 1 0 382.464 0.996 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@H]1C[NH3+] ZINC000423556359 1194766479 /nfs/dbraw/zinc/76/64/79/1194766479.db2.gz GVMGJZGSAKYMNX-VKQVCWQJSA-N 1 0 395.463 0.302 20 30 GCEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000423615721 1194773940 /nfs/dbraw/zinc/77/39/40/1194773940.db2.gz ZGGOYSSRHANZMT-CQSZACIVSA-N 1 0 383.452 0.556 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H](C[NH3+])C1 ZINC000423629471 1194775557 /nfs/dbraw/zinc/77/55/57/1194775557.db2.gz BFQRNPFAYFCYJS-GBESFXJTSA-N 1 0 399.495 0.188 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)c1C#N ZINC000423651371 1194779452 /nfs/dbraw/zinc/77/94/52/1194779452.db2.gz MAJKIRSCTJZBIL-RYUDHWBXSA-N 1 0 376.486 0.181 20 30 GCEDRO CCCN(C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[C@H]1CC[NH2+]C1 ZINC000423670819 1194782378 /nfs/dbraw/zinc/78/23/78/1194782378.db2.gz ZTZBEQWQQYDUDU-GXZWQRSESA-N 1 0 395.463 0.459 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000423692353 1194783169 /nfs/dbraw/zinc/78/31/69/1194783169.db2.gz JIGWAPNOBVILFT-MOPGFXCFSA-N 1 0 381.480 0.555 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(F)c1 ZINC000423697287 1194783460 /nfs/dbraw/zinc/78/34/60/1194783460.db2.gz MWBNHGQOATXQRM-CVEARBPZSA-N 1 0 385.443 0.699 20 30 GCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000423696207 1194783471 /nfs/dbraw/zinc/78/34/71/1194783471.db2.gz HPTQUCWGLISYPE-CQSZACIVSA-N 1 0 390.513 0.430 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)CC2)c(F)c1 ZINC000423699236 1194783779 /nfs/dbraw/zinc/78/37/79/1194783779.db2.gz PEFVNRZUTHNQFE-HNNXBMFYSA-N 1 0 390.415 0.253 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423675132 1194784052 /nfs/dbraw/zinc/78/40/52/1194784052.db2.gz BEQVMOKKGPRMCV-QIAYKDLGSA-N 1 0 395.463 0.587 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@H](C[NH3+])C1 ZINC000423674258 1194784403 /nfs/dbraw/zinc/78/44/03/1194784403.db2.gz PILQGRLGTKNBDK-DLBZAZTESA-N 1 0 385.468 0.172 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)c1C#N ZINC000423677875 1194784832 /nfs/dbraw/zinc/78/48/32/1194784832.db2.gz KGLNRIODQOVASC-RYUDHWBXSA-N 1 0 376.486 0.181 20 30 GCEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423683298 1194785645 /nfs/dbraw/zinc/78/56/45/1194785645.db2.gz TYUBLRWQLLIZGV-QGZVFWFLSA-N 1 0 385.468 0.363 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H]1C[NH3+] ZINC000423716953 1194788107 /nfs/dbraw/zinc/78/81/07/1194788107.db2.gz ARNJXEMMXGKENQ-NZSAHSFTSA-N 1 0 383.496 0.809 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@H]1C[NH3+] ZINC000423719736 1194788654 /nfs/dbraw/zinc/78/86/54/1194788654.db2.gz CVHWTRREQJLUES-JGJJRYOWSA-N 1 0 395.463 0.444 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1C#N ZINC000423725054 1194789350 /nfs/dbraw/zinc/78/93/50/1194789350.db2.gz HHSNQEUIATWYEZ-TZMCWYRMSA-N 1 0 390.513 0.558 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000424076470 1194800879 /nfs/dbraw/zinc/80/08/79/1194800879.db2.gz MASDETCLZWNDCP-AWEZNQCLSA-N 1 0 386.424 0.819 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000424092446 1194802285 /nfs/dbraw/zinc/80/22/85/1194802285.db2.gz PCKHPNUKBVFDTC-WBVHZDCISA-N 1 0 394.497 0.781 20 30 GCEDRO CCC(CC)(NC(=O)C1C[NH+](C[C@H](O)COc2ccc(C#N)cc2)C1)C(N)=O ZINC000504664641 1194802767 /nfs/dbraw/zinc/80/27/67/1194802767.db2.gz ATZRVSKRUPTMHR-INIZCTEOSA-N 1 0 388.468 0.390 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000549967141 1194805828 /nfs/dbraw/zinc/80/58/28/1194805828.db2.gz DFZDVKMAJCPDBD-QGZVFWFLSA-N 1 0 397.483 0.674 20 30 GCEDRO C=CCCn1cc(C(=O)N(CC[NH+](CC)CC)[C@@H]2CCS(=O)(=O)C2)nn1 ZINC000424748475 1194828822 /nfs/dbraw/zinc/82/88/22/1194828822.db2.gz HYKLSFZMSWDBLW-OAHLLOKOSA-N 1 0 383.518 0.825 20 30 GCEDRO C=CCCn1cc(C(=O)Nc2cccc(S(=O)(=O)NCC[NH+](C)C)c2)nn1 ZINC000424782411 1194829734 /nfs/dbraw/zinc/82/97/34/1194829734.db2.gz PCFDODHYWDXHTD-UHFFFAOYSA-N 1 0 392.485 0.946 20 30 GCEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000329704984 1194865047 /nfs/dbraw/zinc/86/50/47/1194865047.db2.gz JTZULLWZMUHJBO-UHFFFAOYSA-N 1 0 395.548 0.292 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000281747558 1194871458 /nfs/dbraw/zinc/87/14/58/1194871458.db2.gz IKZGLPWSSLGMES-UHFFFAOYSA-N 1 0 381.502 0.994 20 30 GCEDRO Cn1nnnc1NC(=O)C1CC[NH+](C2CCN(C(=O)CCS)CC2)CC1 ZINC001269874450 1194875371 /nfs/dbraw/zinc/87/53/71/1194875371.db2.gz XRPARRQZBZSWMV-UHFFFAOYSA-N 1 0 381.506 0.172 20 30 GCEDRO C[C@@H]1Cc2nnc(C(=O)NC3CC[NH+](C)CC3)n2CCN1C(=O)CCS ZINC001269879234 1194876493 /nfs/dbraw/zinc/87/64/93/1194876493.db2.gz LRQHIGINPHEAOE-GFCCVEGCSA-N 1 0 380.518 0.195 20 30 GCEDRO Cn1nc([C@@H]2CCCO2)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000435020806 1194883377 /nfs/dbraw/zinc/88/33/77/1194883377.db2.gz RZXITUAKJDSQNN-HNNXBMFYSA-N 1 0 376.461 0.904 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1=O ZINC000425316759 1194908532 /nfs/dbraw/zinc/90/85/32/1194908532.db2.gz MBTDKBKAEMARHA-CYBMUJFWSA-N 1 0 380.395 0.745 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1=O ZINC000425325485 1194911727 /nfs/dbraw/zinc/91/17/27/1194911727.db2.gz XFSMEKZJFJEMRX-GOSISDBHSA-N 1 0 384.480 0.885 20 30 GCEDRO O=C(CCS)N1CCC2(CC1)NC(=O)[C@@H]1C[N@H+](CCn3ccnc3)C[C@H]12 ZINC001269955747 1194928087 /nfs/dbraw/zinc/92/80/87/1194928087.db2.gz QWDWZSKVPJMOAP-HUUCEWRRSA-N 1 0 377.514 0.242 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@H](C#N)C3)[C@@H]2C1 ZINC000425379927 1194932473 /nfs/dbraw/zinc/93/24/73/1194932473.db2.gz DNMKFWCNZSTLBA-XUVXKRRUSA-N 1 0 395.507 0.776 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNc1nc(NC)[nH+]c(NC[C@H]2CCO[C@H]2C(=C)C)n1 ZINC000435601882 1194947775 /nfs/dbraw/zinc/94/77/75/1194947775.db2.gz AAIQQLAJOAMJLE-NCOADZHNSA-N 1 0 388.516 0.965 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]C[C@H](O)COc2ccc(F)cc2)nc1 ZINC000515169737 1194951476 /nfs/dbraw/zinc/95/14/76/1194951476.db2.gz UQIMWDABFPKRAG-HNNXBMFYSA-N 1 0 379.413 0.896 20 30 GCEDRO C=CCOC[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C(=O)OC ZINC000435947450 1194975810 /nfs/dbraw/zinc/97/58/10/1194975810.db2.gz FALLTMOCQJDJHZ-SFHVURJKSA-N 1 0 375.469 0.908 20 30 GCEDRO COc1ccc(C[NH2+]C[C@H](O)COc2ccc(C#N)cc2)cc1S(N)(=O)=O ZINC000515833933 1195000368 /nfs/dbraw/zinc/00/03/68/1195000368.db2.gz CUMKIMGLABQMEX-HNNXBMFYSA-N 1 0 391.449 0.744 20 30 GCEDRO COCc1nc2n(n1)C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000516276715 1195039534 /nfs/dbraw/zinc/03/95/34/1195039534.db2.gz JQMPUYOHINVFJL-CYBMUJFWSA-N 1 0 376.442 0.069 20 30 GCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000437034709 1195059957 /nfs/dbraw/zinc/05/99/57/1195059957.db2.gz VEYULERGTCQOEU-RHSMWYFYSA-N 1 0 375.473 1.186 20 30 GCEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000425877033 1195144277 /nfs/dbraw/zinc/14/42/77/1195144277.db2.gz GZJLDUOYSMSUNN-CRAIPNDOSA-N 1 0 399.495 0.781 20 30 GCEDRO COC[C@@]1(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)CCC[NH2+]1 ZINC000517340349 1195172314 /nfs/dbraw/zinc/17/23/14/1195172314.db2.gz ICZUZPFALFTZBB-KRWDZBQOSA-N 1 0 378.502 0.923 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000517580156 1195195003 /nfs/dbraw/zinc/19/50/03/1195195003.db2.gz CLBOTZZMNSVWIK-UHFFFAOYSA-N 1 0 392.481 0.425 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCNC2=O)cc1 ZINC000438767019 1195246877 /nfs/dbraw/zinc/24/68/77/1195246877.db2.gz ZMXILQDOLBVSHR-UHFFFAOYSA-N 1 0 386.456 0.849 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261971624 1195291264 /nfs/dbraw/zinc/29/12/64/1195291264.db2.gz MWCBHKAHGNAMBY-VQIMIIECSA-N 1 0 397.589 0.448 20 30 GCEDRO C[NH+]=C(NCCN1CCSCC1)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261996459 1195332561 /nfs/dbraw/zinc/33/25/61/1195332561.db2.gz SOCXSNRUJLQLST-QGZVFWFLSA-N 1 0 396.605 0.239 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(C#N)ccc1Cl ZINC000439634090 1195337851 /nfs/dbraw/zinc/33/78/51/1195337851.db2.gz NEDABWWKFVYEAI-UHFFFAOYSA-N 1 0 382.848 0.549 20 30 GCEDRO CCC(=O)N1CC[C@H](NC(NC[C@]2(N3CCOCC3)CCSC2)=[NH+]C)C1 ZINC000262002223 1195354179 /nfs/dbraw/zinc/35/41/79/1195354179.db2.gz UTEMXOUJCHEWGD-MAUKXSAKSA-N 1 0 383.562 0.370 20 30 GCEDRO CCC(=O)N1CC[C@H](NC(NC[C@@]2(N3CCOCC3)CCSC2)=[NH+]C)C1 ZINC000262002226 1195354399 /nfs/dbraw/zinc/35/43/99/1195354399.db2.gz UTEMXOUJCHEWGD-YJBOKZPZSA-N 1 0 383.562 0.370 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000439859563 1195361040 /nfs/dbraw/zinc/36/10/40/1195361040.db2.gz OXAOTBBMIWODBM-AWEZNQCLSA-N 1 0 390.488 0.825 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)NCCC[N@H+]3CCC[C@H](C(N)=O)C3)CC2)c1 ZINC000519154095 1195373882 /nfs/dbraw/zinc/37/38/82/1195373882.db2.gz RXPNRTTUERTWGB-KRWDZBQOSA-N 1 0 399.499 0.372 20 30 GCEDRO CN(CC(=O)N1CC[NH2+]CC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000440333766 1195407420 /nfs/dbraw/zinc/40/74/20/1195407420.db2.gz ANAQPRQWHYASJN-UHFFFAOYSA-N 1 0 390.387 0.629 20 30 GCEDRO Cc1ccc(C#N)cc1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000440352290 1195409409 /nfs/dbraw/zinc/40/94/09/1195409409.db2.gz FTFSSVMHVVIQEU-INIZCTEOSA-N 1 0 376.482 0.699 20 30 GCEDRO Cc1nnc(CNC(NC[C@H]2CCCN2S(C)(=O)=O)=[NH+]C2CCCC2)n1C ZINC000262015113 1195417112 /nfs/dbraw/zinc/41/71/12/1195417112.db2.gz XNKSHGVNMLRGTP-OAHLLOKOSA-N 1 0 397.549 0.525 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001270759976 1195528412 /nfs/dbraw/zinc/52/84/12/1195528412.db2.gz DCVKXTXQHSJSQO-IFYILMAXSA-N 1 0 390.484 0.250 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415578128 1195570218 /nfs/dbraw/zinc/57/02/18/1195570218.db2.gz ZJEPQBLPARBTSH-KBPBESRZSA-N 1 0 394.497 0.640 20 30 GCEDRO CCc1nnc(N2CCN(C3CC3)[C@@H](C#N)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001709142902 1195642545 /nfs/dbraw/zinc/64/25/45/1195642545.db2.gz QUPPSSVYOPXKTI-MSOLQXFVSA-N 1 0 387.532 0.864 20 30 GCEDRO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000328669732 1195659049 /nfs/dbraw/zinc/65/90/49/1195659049.db2.gz FJRFSULBPKMUKM-INIZCTEOSA-N 1 0 388.534 0.226 20 30 GCEDRO C[NH+]1CCN(c2ncccc2CNC(=O)N2CC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000328706123 1195662056 /nfs/dbraw/zinc/66/20/56/1195662056.db2.gz LJXPMKUQEDDXHA-OAHLLOKOSA-N 1 0 381.502 0.366 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@H]2O)CC1 ZINC000328828524 1195669076 /nfs/dbraw/zinc/66/90/76/1195669076.db2.gz QSHFAWHUMPVHHJ-ZSYWTGECSA-N 1 0 378.517 0.541 20 30 GCEDRO O=C(CN1CCOCC1)N1CCN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000328876960 1195673162 /nfs/dbraw/zinc/67/31/62/1195673162.db2.gz SWBSYRROUHBFKI-UHFFFAOYSA-N 1 0 393.532 0.251 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2COCC[C@]2(C)O)CC1 ZINC000328985055 1195684043 /nfs/dbraw/zinc/68/40/43/1195684043.db2.gz SZTCIQBBDGODIS-JTJHWIPRSA-N 1 0 392.544 0.931 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H]2[C@H]2COCC[C@]2(C)O)CC1 ZINC000328985054 1195684404 /nfs/dbraw/zinc/68/44/04/1195684404.db2.gz SZTCIQBBDGODIS-BNDYYXHWSA-N 1 0 392.544 0.931 20 30 GCEDRO CNS(=O)(=O)c1cc(NC(=O)CN2CCO[C@@H]3CC[N@H+](C)C[C@H]32)ccc1C ZINC000328993525 1195684611 /nfs/dbraw/zinc/68/46/11/1195684611.db2.gz DVHKYTFXGARZLE-HZPDHXFCSA-N 1 0 396.513 0.896 20 30 GCEDRO C[C@@H]1CN(C(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC(=O)N1C ZINC000330416322 1195687976 /nfs/dbraw/zinc/68/79/76/1195687976.db2.gz NXDJYDLCENMPOG-CQSZACIVSA-N 1 0 381.521 0.690 20 30 GCEDRO 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C#CCOc1ncccc1C(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)C2 ZINC001002793034 1199270415 /nfs/dbraw/zinc/27/04/15/1199270415.db2.gz ZSXWFFMZSHKHGG-IDCNUPLLSA-N 1 0 382.464 0.907 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccc(=O)[nH]c2)CC1 ZINC001003365070 1199506302 /nfs/dbraw/zinc/50/63/02/1199506302.db2.gz GWXMZROGWINUNU-KURKYZTESA-N 1 0 382.464 0.994 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)Cc2cncnc2)CC1 ZINC001003366895 1199511141 /nfs/dbraw/zinc/51/11/41/1199511141.db2.gz YWEZETOWPRJJMQ-QRVBRYPASA-N 1 0 381.480 0.612 20 30 GCEDRO CN(CC(=O)N1CC[N@@H+]2CCCC[C@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328917175 1199828116 /nfs/dbraw/zinc/82/81/16/1199828116.db2.gz RQCVWWUOMFYVNU-INIZCTEOSA-N 1 0 376.482 0.875 20 30 GCEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCC[C@H](C(=O)NCC[NH3+])C3)cc2C1=O ZINC000428984966 1199872753 /nfs/dbraw/zinc/87/27/53/1199872753.db2.gz ZCVJOZKHOVTLHQ-AWEZNQCLSA-N 1 0 384.436 0.396 20 30 GCEDRO 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/nfs/dbraw/zinc/76/56/48/1205765648.db2.gz FKOCKFBDIHUVJX-AEWZPABSSA-N 1 0 379.461 0.930 20 30 GCEDRO CCOC(=O)CON=C(C(=O)n1c(=N)sc2c1CC[C@H]([NH3+])C2)c1ccn[nH]1 ZINC001177264064 1205765908 /nfs/dbraw/zinc/76/59/08/1205765908.db2.gz QAODCWNKPIEQJA-YZXRAIHMSA-N 1 0 392.441 0.192 20 30 GCEDRO Cn1nnc2c1CCN(C(=O)C#Cc1ccccn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001177800719 1205777098 /nfs/dbraw/zinc/77/70/98/1205777098.db2.gz GVXJDGLESBCYOI-LJQANCHMSA-N 1 0 394.479 0.800 20 30 GCEDRO C#CC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001178206940 1205783864 /nfs/dbraw/zinc/78/38/64/1205783864.db2.gz CUNYZZZPQMVQRR-UHFFFAOYSA-N 1 0 380.426 0.087 20 30 GCEDRO C#CCN(C(=O)[C@H]1CC[C@@H](Cn2cnc3c2ncnc3N)O1)C1CC[NH+](C)CC1 ZINC001178739412 1205793122 /nfs/dbraw/zinc/79/31/22/1205793122.db2.gz JBINYNVUEPHNBB-JKSUJKDBSA-N 1 0 397.483 0.512 20 30 GCEDRO C#CCN(C(=O)c1ccc(S(=O)(=O)CC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC001178739651 1205793185 /nfs/dbraw/zinc/79/31/85/1205793185.db2.gz PCDDPFXHDONWEJ-UHFFFAOYSA-N 1 0 377.466 0.115 20 30 GCEDRO CC(=O)N1CCC([NH+]2CCC(C(=O)N3CCN(CCC#N)CC3)CC2)CC1 ZINC001179010939 1205799357 /nfs/dbraw/zinc/79/93/57/1205799357.db2.gz QTMTWOISJJUBJD-UHFFFAOYSA-N 1 0 375.517 0.767 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000773799190 1205802025 /nfs/dbraw/zinc/80/20/25/1205802025.db2.gz RPKAPBFNTWDKTF-MOPGFXCFSA-N 1 0 384.480 0.670 20 30 GCEDRO N#Cc1ccccc1N1CCC(C(=O)NCCN(CC[NH3+])N(O)N=O)CC1 ZINC001180510065 1205826054 /nfs/dbraw/zinc/82/60/54/1205826054.db2.gz ZKQSTNSAFORMPX-UHFFFAOYSA-N 1 0 375.433 0.439 20 30 GCEDRO C[NH+](C)C1(C(=O)N2CCOC[C@]3(CN(c4ccc(C#N)cc4)C(=O)CO3)C2)CC1 ZINC001182598025 1205876797 /nfs/dbraw/zinc/87/67/97/1205876797.db2.gz XFKARMNJBMMNOJ-HXUWFJFHSA-N 1 0 398.463 0.613 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001183043198 1205885612 /nfs/dbraw/zinc/88/56/12/1205885612.db2.gz MNVHLVZOHPFOAL-GVDBMIGSSA-N 1 0 387.484 0.560 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@@H](N2CCOCC2)C[C@]1(C)C(=O)OC ZINC001183043470 1205885668 /nfs/dbraw/zinc/88/56/68/1205885668.db2.gz SJCPGGRMSUUBAI-YLJYHZDGSA-N 1 0 379.501 0.893 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001183043785 1205885747 /nfs/dbraw/zinc/88/57/47/1205885747.db2.gz ZCUGQGNLOTUTDQ-GOSISDBHSA-N 1 0 391.512 0.895 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001183085613 1205886792 /nfs/dbraw/zinc/88/67/92/1205886792.db2.gz COQSUWFXHSLNTC-UHFFFAOYSA-N 1 0 393.509 0.976 20 30 GCEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCC(C(=O)N[C@@H](C#N)C(N)=O)CC2)C1 ZINC001183162368 1205889121 /nfs/dbraw/zinc/88/91/21/1205889121.db2.gz OXOZYZLXVPOMTO-KBPBESRZSA-N 1 0 379.461 0.201 20 30 GCEDRO CN1CCN(C2CN(C(=O)[C@@H]3CCCCN3Cc3ccccc3C#N)C2)CC1=O ZINC001183832967 1205901115 /nfs/dbraw/zinc/90/11/15/1205901115.db2.gz ZFBHNIRCLYNSNS-FQEVSTJZSA-N 1 0 395.507 0.898 20 30 GCEDRO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)NCCN(CC[NH3+])N(O)N=O ZINC001183841865 1205901304 /nfs/dbraw/zinc/90/13/04/1205901304.db2.gz PWLSYLJMRNHYPY-KRWDZBQOSA-N 1 0 389.460 0.577 20 30 GCEDRO CC(C)[C@H]1O[C@H](C[NH3+])[C@@H](CNC(=O)CN(CCC#N)C(=O)OC(C)(C)C)O1 ZINC001184861469 1205914479 /nfs/dbraw/zinc/91/44/79/1205914479.db2.gz LUDQVZCSNLDETC-FMKPAKJESA-N 1 0 384.477 0.978 20 30 GCEDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)c1cccs1 ZINC000774853965 1205920512 /nfs/dbraw/zinc/92/05/12/1205920512.db2.gz IJRYJEVXGIQGNX-CQSZACIVSA-N 1 0 386.481 0.962 20 30 GCEDRO CC(C)N(C(=O)[C@@H]1C[C@@H]1C#N)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001186975457 1205953408 /nfs/dbraw/zinc/95/34/08/1205953408.db2.gz NNZXKWDTDDIWSK-GDBMZVCRSA-N 1 0 384.484 0.902 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@@H+](CCN(C)S(C)(=O)=O)C[C@H]21 ZINC001187951822 1205971996 /nfs/dbraw/zinc/97/19/96/1205971996.db2.gz OCATYVUZMZUGII-HZMVEIRTSA-N 1 0 385.530 0.392 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000775188750 1205989400 /nfs/dbraw/zinc/98/94/00/1205989400.db2.gz DDWIQEVYRWTPMT-INIZCTEOSA-N 1 0 392.525 0.365 20 30 GCEDRO C#Cc1ccc(C(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)cc1 ZINC001188728765 1205990518 /nfs/dbraw/zinc/99/05/18/1205990518.db2.gz MNHUSFFTXGRCDA-UHFFFAOYSA-N 1 0 382.508 0.978 20 30 GCEDRO COc1ccc(C#N)c(C(=O)n2ccc(=[NH+]CCN3CCOCC3)c(N)c2)c1 ZINC001189067150 1205994941 /nfs/dbraw/zinc/99/49/41/1205994941.db2.gz PKUMGDFNDXSEQI-UHFFFAOYSA-N 1 0 381.436 0.872 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000775239155 1206002274 /nfs/dbraw/zinc/00/22/74/1206002274.db2.gz WNQYMIVHPDELID-OAHLLOKOSA-N 1 0 378.498 0.023 20 30 GCEDRO CCOC(=O)CCCCC[NH2+]C(O)/N=C/COCCOCCOCCO ZINC001189682062 1206013339 /nfs/dbraw/zinc/01/33/39/1206013339.db2.gz WBRNPVWTAUPNJW-UHFFFAOYSA-N 1 0 377.458 0.632 20 30 GCEDRO C=CCC1(S(=O)(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)CC1 ZINC001190843950 1206047892 /nfs/dbraw/zinc/04/78/92/1206047892.db2.gz SYDPQYDROSUZKD-UHFFFAOYSA-N 1 0 385.511 0.845 20 30 GCEDRO Cn1nnc2c1CCN(c1cnc(C#N)c(C#N)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164716639 720198860 /nfs/dbraw/zinc/19/88/60/720198860.db2.gz QLYWSVQFDPGBOJ-QGZVFWFLSA-N 1 0 393.455 0.565 20 30 GCEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncnc4[nH]cc(C#N)c43)CC2)C1 ZINC001164875977 721260525 /nfs/dbraw/zinc/26/05/25/721260525.db2.gz MTKZTAVSLZMKTQ-UHFFFAOYSA-N 1 0 397.483 0.837 20 30 GCEDRO CN1CC[NH+](C[C@H]2CCC[C@@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1 ZINC001164895395 721438993 /nfs/dbraw/zinc/43/89/93/721438993.db2.gz OILBISXCBIQLHL-UZLBHIALSA-N 1 0 381.484 0.985 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571277704 945744875 /nfs/dbraw/zinc/74/48/75/945744875.db2.gz SDXUAJCRODLANW-IUODEOHRSA-N 1 0 387.419 0.873 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573285735 946787321 /nfs/dbraw/zinc/78/73/21/946787321.db2.gz MMUABLPOMHZWQU-RISCZKNCSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573285736 946788046 /nfs/dbraw/zinc/78/80/46/946788046.db2.gz MMUABLPOMHZWQU-SMDDNHRTSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C ZINC001573285973 946792755 /nfs/dbraw/zinc/79/27/55/946792755.db2.gz QJXAOSDLKHPGFK-GXTWGEPZSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CC[NH2+][C@H]1CCO[C@@H](C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001573286000 946793153 /nfs/dbraw/zinc/79/31/53/946793153.db2.gz RFYOSGFLQULHRK-DOTOQJQBSA-N 1 0 383.456 0.817 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573287236 946833205 /nfs/dbraw/zinc/83/32/05/946833205.db2.gz MLLNCJFYNFLERJ-AWEZNQCLSA-N 1 0 386.431 0.984 20 30 GCEDRO C#Cc1ccc(C(=O)N(C)C[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001573287337 946834439 /nfs/dbraw/zinc/83/44/39/946834439.db2.gz BAEBPCGZIZGYPI-ZDUSSCGKSA-N 1 0 376.424 0.941 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573287533 946839641 /nfs/dbraw/zinc/83/96/41/946839641.db2.gz JJUUICGDPSFEDX-OLZOCXBDSA-N 1 0 376.424 0.987 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cc1 ZINC001573289325 946886581 /nfs/dbraw/zinc/88/65/81/946886581.db2.gz YFGILHUFALUGIR-OAHLLOKOSA-N 1 0 377.408 0.176 20 30 GCEDRO C=C(C)CN(CC)C(=O)[C@H](C)[NH2+]CCN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573293746 946967436 /nfs/dbraw/zinc/96/74/36/946967436.db2.gz IKQYSRQVYJKMNQ-ZDUSSCGKSA-N 1 0 388.476 0.670 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573561927 946967858 /nfs/dbraw/zinc/96/78/58/946967858.db2.gz OWUARKCORBFBNF-HNNXBMFYSA-N 1 0 382.472 0.602 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001573561928 946968028 /nfs/dbraw/zinc/96/80/28/946968028.db2.gz OWUARKCORBFBNF-OAHLLOKOSA-N 1 0 382.472 0.602 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573562768 946980400 /nfs/dbraw/zinc/98/04/00/946980400.db2.gz XPHPGRNNAPVRIJ-YPMHNXCESA-N 1 0 375.408 0.417 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573294694 946994663 /nfs/dbraw/zinc/99/46/63/946994663.db2.gz IUDFUKMOUKDSHS-KEYYUXOJSA-N 1 0 383.456 0.925 20 30 GCEDRO C=C(Cl)C[N@@H+](CCO)C1CCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)CC1 ZINC001573295472 947020613 /nfs/dbraw/zinc/02/06/13/947020613.db2.gz QEPYSRCVQYQEFU-UHFFFAOYSA-N 1 0 379.852 0.846 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001573566276 947022381 /nfs/dbraw/zinc/02/23/81/947022381.db2.gz AJBFELLCKFAVSF-KPZWWZAWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573567813 947057621 /nfs/dbraw/zinc/05/76/21/947057621.db2.gz SZRHXRHCKHGUIC-KZULUSFZSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568164 947068693 /nfs/dbraw/zinc/06/86/93/947068693.db2.gz YVUVLRJTLNPKRN-KPZWWZAWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573568243 947070484 /nfs/dbraw/zinc/07/04/84/947070484.db2.gz ZWXMCEUTDCNCOO-YOEHRIQHSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001573572093 947108457 /nfs/dbraw/zinc/10/84/57/947108457.db2.gz FBUFFHGTELOFBY-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCOCC1 ZINC001573575020 947135018 /nfs/dbraw/zinc/13/50/18/947135018.db2.gz VMXXZGWLTUUMPP-NSHDSACASA-N 1 0 375.458 0.843 20 30 GCEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOCC1 ZINC001573575922 947145593 /nfs/dbraw/zinc/14/55/93/947145593.db2.gz BULDLFWHWGMZSI-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573310106 947218785 /nfs/dbraw/zinc/21/87/85/947218785.db2.gz UBDXJQSLSCXDID-IFXJQAMLSA-N 1 0 386.456 0.893 20 30 GCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2-c2nn[nH]n2)C[C@@H]1O ZINC001573336429 947505308 /nfs/dbraw/zinc/50/53/08/947505308.db2.gz NAOUWEOROZWHLK-XYPHTWIQSA-N 1 0 386.456 0.509 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350597 947600037 /nfs/dbraw/zinc/60/00/37/947600037.db2.gz HERRCSRSUCQABI-ZDUSSCGKSA-N 1 0 381.444 0.800 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)nn1 ZINC001573352079 947626491 /nfs/dbraw/zinc/62/64/91/947626491.db2.gz ZMPOAMAPOBJMMB-LLVKDONJSA-N 1 0 385.407 0.691 20 30 GCEDRO CC#CCCCC(=O)NCC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573358760 947670702 /nfs/dbraw/zinc/67/07/02/947670702.db2.gz PVRFKGDMBMUTCE-UHFFFAOYSA-N 1 0 383.456 0.955 20 30 GCEDRO CC(C)(C)C#CC(=O)N(CCO)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 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GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000236596017 530313751 /nfs/dbraw/zinc/31/37/51/530313751.db2.gz SNSKAWSAUMNGHQ-UHFFFAOYSA-N 1 0 387.303 0.894 20 30 GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)c1 ZINC000566914562 530411390 /nfs/dbraw/zinc/41/13/90/530411390.db2.gz XBOGWSOEJYPADX-UHFFFAOYSA-N 1 0 387.259 0.031 20 30 GCEDRO N#C[C@@H](c1ccc(Br)cc1)N1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000599067316 530466335 /nfs/dbraw/zinc/46/63/35/530466335.db2.gz ZSSIIINHDOKICK-LBPRGKRZSA-N 1 0 389.261 0.846 20 30 GCEDRO C[C@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328658672 530517239 /nfs/dbraw/zinc/51/72/39/530517239.db2.gz RLZJGBUZSQJVLH-HUUCEWRRSA-N 1 0 392.591 0.989 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000331357093 530548074 /nfs/dbraw/zinc/54/80/74/530548074.db2.gz STHPDIMBXXWEDO-AWEZNQCLSA-N 1 0 375.539 0.397 20 30 GCEDRO C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000330882352 530530834 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386.499 0.249 20 30 GCEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)NCCNS(=O)(=O)N(C)C)C(C)C ZINC000297002544 530568913 /nfs/dbraw/zinc/56/89/13/530568913.db2.gz GWYQEHDXRXYHST-OAHLLOKOSA-N 1 0 375.539 0.380 20 30 GCEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000582191691 530583730 /nfs/dbraw/zinc/58/37/30/530583730.db2.gz HUXBNOOYKNTUPY-AWEZNQCLSA-N 1 0 394.563 0.344 20 30 GCEDRO C[NH+](C)[C@@]1(CNC(=O)N2CCC(CNS(C)(=O)=O)CC2)CCSC1 ZINC000329282881 530609771 /nfs/dbraw/zinc/60/97/71/530609771.db2.gz NDGUGHVNGCIWSC-OAHLLOKOSA-N 1 0 378.564 0.599 20 30 GCEDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000520428311 530612538 /nfs/dbraw/zinc/61/25/38/530612538.db2.gz QKBZRLILFGCJRN-CYBMUJFWSA-N 1 0 388.515 0.497 20 30 GCEDRO CCS(=O)(=O)NC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000330061776 530625420 /nfs/dbraw/zinc/62/54/20/530625420.db2.gz AHFWGDPMLSLOJA-HNNXBMFYSA-N 1 0 378.564 0.741 20 30 GCEDRO CN(C1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1)S(C)(=O)=O ZINC000330145755 530628044 /nfs/dbraw/zinc/62/80/44/530628044.db2.gz LFGKBSLYZONEQP-HNNXBMFYSA-N 1 0 378.564 0.694 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000349446694 530636021 /nfs/dbraw/zinc/63/60/21/530636021.db2.gz ADOLRESDAGJFLW-CYBMUJFWSA-N 1 0 388.515 0.401 20 30 GCEDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000329784047 530620910 /nfs/dbraw/zinc/62/09/10/530620910.db2.gz VPKGIGVRYWQSSG-KGLIPLIRSA-N 1 0 378.564 0.597 20 30 GCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329814377 530621465 /nfs/dbraw/zinc/62/14/65/530621465.db2.gz UJQKVZHCCUCPSL-TZMCWYRMSA-N 1 0 376.548 0.351 20 30 GCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329814376 530621495 /nfs/dbraw/zinc/62/14/95/530621495.db2.gz UJQKVZHCCUCPSL-OCCSQVGLSA-N 1 0 376.548 0.351 20 30 GCEDRO CC[N@H+](CCNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1)C(C)C ZINC000580843694 530751218 /nfs/dbraw/zinc/75/12/18/530751218.db2.gz GOLBIGWQVXFFNH-UHFFFAOYSA-N 1 0 388.515 0.497 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000349478343 530876188 /nfs/dbraw/zinc/87/61/88/530876188.db2.gz GQYPDTURWCPJDL-CYBMUJFWSA-N 1 0 386.499 0.203 20 30 GCEDRO CN(C)c1cc(NS(=O)(=O)CCCS(=O)(=O)N2CC(C#N)C2)cc[nH+]1 ZINC000349504703 530883675 /nfs/dbraw/zinc/88/36/75/530883675.db2.gz QXDLAPWKQKYLKW-UHFFFAOYSA-N 1 0 387.487 0.065 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(C#N)c(Cl)c1 ZINC000443321421 530897352 /nfs/dbraw/zinc/89/73/52/530897352.db2.gz MVXKDCTZZQNKLR-UHFFFAOYSA-N 1 0 375.878 0.773 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270449557 531005309 /nfs/dbraw/zinc/00/53/09/531005309.db2.gz JAPUNCYCOWQAFJ-HOTGVXAUSA-N 1 0 381.523 0.716 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](O)CS(=O)(=O)c2cccs2)CC1 ZINC000269870086 531005458 /nfs/dbraw/zinc/00/54/58/531005458.db2.gz YKCYSFCVQMTQHF-CQSZACIVSA-N 1 0 387.527 0.832 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000267053390 531004679 /nfs/dbraw/zinc/00/46/79/531004679.db2.gz AGTAZRNNRMCUBC-QGZVFWFLSA-N 1 0 381.523 0.765 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000565229386 531181298 /nfs/dbraw/zinc/18/12/98/531181298.db2.gz MQBDFVFQQHGEIV-CYBMUJFWSA-N 1 0 386.499 0.203 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(C)nn2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735374415 598931512 /nfs/dbraw/zinc/93/15/12/598931512.db2.gz INSSXHRXMRNZOB-UHFFFAOYSA-N 1 0 391.439 0.461 20 30 GCEDRO C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)S(=O)(=O)CCCC#N ZINC000736767857 598709231 /nfs/dbraw/zinc/70/92/31/598709231.db2.gz STDPZTUHVHCLJF-UHFFFAOYSA-N 1 0 377.474 0.864 20 30 GCEDRO C=CC[N@@H+](CCc1cn(CC(=O)OC)nn1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000823909466 607518820 /nfs/dbraw/zinc/51/88/20/607518820.db2.gz FNNWGKDKCRWFCO-UHFFFAOYSA-N 1 0 382.428 0.862 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccc(C#N)cc2)c1-c1nn[nH]n1 ZINC000826077910 608021492 /nfs/dbraw/zinc/02/14/92/608021492.db2.gz ZZFWMZBIPUZMIP-UHFFFAOYSA-N 1 0 381.400 0.631 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2cccc(-c3nn[nH]n3)c2)c1C#N ZINC000826077173 608021916 /nfs/dbraw/zinc/02/19/16/608021916.db2.gz CGVNCGHMTZTRTP-UHFFFAOYSA-N 1 0 381.400 0.631 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)NCc1cccc(C#N)c1 ZINC000825934289 608035638 /nfs/dbraw/zinc/03/56/38/608035638.db2.gz LWOZLVIFAQIPAT-UHFFFAOYSA-N 1 0 394.443 0.224 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000825937969 608036448 /nfs/dbraw/zinc/03/64/48/608036448.db2.gz LSAGGWZHSPUZQT-ZDUSSCGKSA-N 1 0 397.443 0.348 20 30 GCEDRO CCc1nsc(N2CCN(C(NC[C@@H]3CCS(=O)(=O)C3)=[NH+]C)CC2)n1 ZINC000261670414 638651014 /nfs/dbraw/zinc/65/10/14/638651014.db2.gz BXUFIPWFQVJIJH-LBPRGKRZSA-N 1 0 386.547 0.233 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262348293 639067855 /nfs/dbraw/zinc/06/78/55/639067855.db2.gz DPIUKDGSYBVULW-OAHLLOKOSA-N 1 0 375.560 0.863 20 30 GCEDRO CC[C@H](C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000262470771 639085206 /nfs/dbraw/zinc/08/52/06/639085206.db2.gz YZSRZKZLIAIDRV-KKUMJFAQSA-N 1 0 393.575 0.674 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)CNC(=O)c1ccccc1I ZINC000913515013 639580465 /nfs/dbraw/zinc/58/04/65/639580465.db2.gz FNQIZMDPDIJROF-UHFFFAOYSA-N 1 0 399.232 0.702 20 30 GCEDRO C=C(Br)CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000786625904 641335035 /nfs/dbraw/zinc/33/50/35/641335035.db2.gz HMVMRSAOEGLCKN-ZDUSSCGKSA-N 1 0 375.311 0.399 20 30 GCEDRO C#CCNC(=O)CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000879204480 641608903 /nfs/dbraw/zinc/60/89/03/641608903.db2.gz GUMWFGQBXSHHSH-UHFFFAOYSA-N 1 0 399.236 0.343 20 30 GCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)c(Br)s1 ZINC000818584733 641915036 /nfs/dbraw/zinc/91/50/36/641915036.db2.gz WLHIZHGFEPUWAA-UHFFFAOYSA-N 1 0 394.316 0.843 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000834495714 642213405 /nfs/dbraw/zinc/21/34/05/642213405.db2.gz YJXZFPIBHXBPRK-CABZTGNLSA-N 1 0 376.360 0.211 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000834488561 642213468 /nfs/dbraw/zinc/21/34/68/642213468.db2.gz DNGNVPGXJZFXII-RNCFNFMXSA-N 1 0 383.221 0.936 20 30 GCEDRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834500119 642213525 /nfs/dbraw/zinc/21/35/25/642213525.db2.gz QJJOSDGTFMLKEU-IINYFYTJSA-N 1 0 386.861 0.106 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCNC(=O)c1cc(F)ccc1Br ZINC000834488563 642213571 /nfs/dbraw/zinc/21/35/71/642213571.db2.gz DNGNVPGXJZFXII-ZANVPECISA-N 1 0 383.221 0.936 20 30 GCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O ZINC000834501081 642213817 /nfs/dbraw/zinc/21/38/17/642213817.db2.gz ZHIFUUCZJRSMQL-KKFJDGPESA-N 1 0 391.225 0.661 20 30 GCEDRO Cc1c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc(Br)cc1S(N)(=O)=O ZINC000834501176 642213823 /nfs/dbraw/zinc/21/38/23/642213823.db2.gz ZZHOXZNCANDNBM-KCJUWKMLSA-N 1 0 387.259 0.246 20 30 GCEDRO Cc1c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc(Br)cc1S(N)(=O)=O ZINC000834501175 642213950 /nfs/dbraw/zinc/21/39/50/642213950.db2.gz ZZHOXZNCANDNBM-GZMMTYOYSA-N 1 0 387.259 0.246 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000834511095 642213963 /nfs/dbraw/zinc/21/39/63/642213963.db2.gz IJKZUURZGQURNK-QPUJVOFHSA-N 1 0 377.198 0.273 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC000834511090 642214055 /nfs/dbraw/zinc/21/40/55/642214055.db2.gz IJKZUURZGQURNK-PELKAZGASA-N 1 0 377.198 0.273 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834506180 642214104 /nfs/dbraw/zinc/21/41/04/642214104.db2.gz QGWHUDGZSISLIY-JSGCOSHPSA-N 1 0 382.873 0.966 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000834521948 642214588 /nfs/dbraw/zinc/21/45/88/642214588.db2.gz ZWDHMQXFYIIKGS-NOZJJQNGSA-N 1 0 376.214 0.387 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)cn1 ZINC000841258392 642292954 /nfs/dbraw/zinc/29/29/54/642292954.db2.gz LARFQYMEKOVCSC-PWSUYJOCSA-N 1 0 395.261 0.914 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843460816 642370219 /nfs/dbraw/zinc/37/02/19/642370219.db2.gz QRCRABBTHSNTSN-MNOVXSKESA-N 1 0 377.451 0.139 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCN1C(=O)c2ccc(Br)cc2C1=O ZINC000843464008 642370858 /nfs/dbraw/zinc/37/08/58/642370858.db2.gz YXBBZMORUHFDCB-RNCFNFMXSA-N 1 0 391.225 0.663 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000843461855 642371041 /nfs/dbraw/zinc/37/10/41/642371041.db2.gz NSGDMXIDKVFMTA-WCQYABFASA-N 1 0 386.271 0.592 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CCN1Cc1ccccc1 ZINC000423333039 1192204223 /nfs/dbraw/zinc/20/42/23/1192204223.db2.gz NUIUMNQWANSBFO-NQIIRXRSSA-N 1 0 381.480 0.577 20 30 GCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000662166807 1192250784 /nfs/dbraw/zinc/25/07/84/1192250784.db2.gz HKOPHYCLUOGEMP-CYBMUJFWSA-N 1 0 381.477 0.313 20 30 GCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000662166665 1192251118 /nfs/dbraw/zinc/25/11/18/1192251118.db2.gz CFFUXPHVWUNRKC-HUUCEWRRSA-N 1 0 397.497 0.479 20 30 GCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccccc1S(=O)(=O)N1CCCCC1 ZINC000662168202 1192251928 /nfs/dbraw/zinc/25/19/28/1192251928.db2.gz XMZLQCRAXSETGX-MRXNPFEDSA-N 1 0 381.498 0.614 20 30 GCEDRO COCC#CC[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]1CC[C@@H](C(=O)N(C)C)O1)C2 ZINC001112529224 1192253690 /nfs/dbraw/zinc/25/36/90/1192253690.db2.gz NMVJNZYXSXFAEV-UGNRZPKXSA-N 1 0 391.512 0.490 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644844218 1192345037 /nfs/dbraw/zinc/34/50/37/1192345037.db2.gz NLNHSNXJROFOEU-UHOSZYNNSA-N 1 0 392.544 0.711 20 30 GCEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418597850 1192347028 /nfs/dbraw/zinc/34/70/28/1192347028.db2.gz QBDUBIOPZHZUCZ-GOEBONIOSA-N 1 0 391.497 0.572 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000106157504 1192351952 /nfs/dbraw/zinc/35/19/52/1192351952.db2.gz AUPIQHLPFIHNGH-UHFFFAOYSA-N 1 0 392.525 0.356 20 30 GCEDRO CC(C)[C@@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCC(C)CC1 ZINC000585715985 1192396484 /nfs/dbraw/zinc/39/64/84/1192396484.db2.gz VELWZRAGONRSDU-GOSISDBHSA-N 1 0 377.533 0.963 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000585725644 1192398960 /nfs/dbraw/zinc/39/89/60/1192398960.db2.gz ZNWYGXVSJCGIPP-IRXDYDNUSA-N 1 0 382.468 0.345 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000585725643 1192398972 /nfs/dbraw/zinc/39/89/72/1192398972.db2.gz ZNWYGXVSJCGIPP-IAGOWNOFSA-N 1 0 382.468 0.345 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)nc1 ZINC000585725642 1192399240 /nfs/dbraw/zinc/39/92/40/1192399240.db2.gz ZNWYGXVSJCGIPP-DLBZAZTESA-N 1 0 382.468 0.345 20 30 GCEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)N1CCN(S(=O)(=O)NC)CC1)C(C)C ZINC000663668683 1192470124 /nfs/dbraw/zinc/47/01/24/1192470124.db2.gz RCCPTEVAFWQFMJ-MRXNPFEDSA-N 1 0 387.550 0.476 20 30 GCEDRO Cn1cc(S(N)(=O)=O)cc1C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000279143626 1192472126 /nfs/dbraw/zinc/47/21/26/1192472126.db2.gz DJJFLUDYTWFBSA-UHFFFAOYSA-N 1 0 389.481 0.748 20 30 GCEDRO CC[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612225 1192605857 /nfs/dbraw/zinc/60/58/57/1192605857.db2.gz AGOROLLUAOVEFE-UHFFFAOYSA-N 1 0 384.440 0.963 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261627916 1192614803 /nfs/dbraw/zinc/61/48/03/1192614803.db2.gz CCCAIRKOMRVTID-OAQYLSRUSA-N 1 0 396.495 0.868 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418781066 1192643006 /nfs/dbraw/zinc/64/30/06/1192643006.db2.gz COTZRPPZKNFKPM-HOCLYGCPSA-N 1 0 391.497 0.702 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418825260 1192656437 /nfs/dbraw/zinc/65/64/37/1192656437.db2.gz JLDJQKTZDIRAFG-OWSLCNJRSA-N 1 0 379.501 0.829 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC3=CC[NH2+]CC3)C2)c(F)c1 ZINC000418852183 1192665612 /nfs/dbraw/zinc/66/56/12/1192665612.db2.gz HAVKVDPJTXWHOK-INIZCTEOSA-N 1 0 385.443 0.818 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418851987 1192665668 /nfs/dbraw/zinc/66/56/68/1192665668.db2.gz GPMZFERAELBREH-DZGCQCFKSA-N 1 0 375.448 0.754 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000418855028 1192666832 /nfs/dbraw/zinc/66/68/32/1192666832.db2.gz LUJGBPDDGKROGE-CWRNSKLLSA-N 1 0 387.459 0.978 20 30 GCEDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418858201 1192668877 /nfs/dbraw/zinc/66/88/77/1192668877.db2.gz VCGFXAKUGFWFMO-OAHLLOKOSA-N 1 0 375.448 0.850 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC[C@H]1[NH3+] ZINC000418857688 1192670313 /nfs/dbraw/zinc/67/03/13/1192670313.db2.gz SVOYQBNGXAJXEE-FRFSOERESA-N 1 0 387.459 0.978 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)[C@@H](C)C[NH2+]1 ZINC000418860068 1192670866 /nfs/dbraw/zinc/67/08/66/1192670866.db2.gz ZGASPUUNVCYSCX-YCPHGPKFSA-N 1 0 387.459 0.991 20 30 GCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000418869488 1192673169 /nfs/dbraw/zinc/67/31/69/1192673169.db2.gz ANYPDQRMCDTYNU-KDOFPFPSSA-N 1 0 397.479 0.756 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000418904412 1192684939 /nfs/dbraw/zinc/68/49/39/1192684939.db2.gz JBKXGRZQCADJGA-JLJPHGGASA-N 1 0 383.452 0.366 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418908834 1192686944 /nfs/dbraw/zinc/68/69/44/1192686944.db2.gz NKLCABJJSXINEQ-ROUUACIJSA-N 1 0 397.479 0.770 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@H](C[NH3+])C1 ZINC000418923380 1192691711 /nfs/dbraw/zinc/69/17/11/1192691711.db2.gz NLQSPMDVSGJWBW-IRXDYDNUSA-N 1 0 390.509 0.872 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)NCCSCc2ccccc2C#N)[C@@H](C[NH3+])C1 ZINC000418923382 1192692519 /nfs/dbraw/zinc/69/25/19/1192692519.db2.gz NLQSPMDVSGJWBW-SJORKVTESA-N 1 0 390.509 0.872 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000418912410 1192690228 /nfs/dbraw/zinc/69/02/28/1192690228.db2.gz RJGFTMWQDUCMDY-RYRKJORJSA-N 1 0 395.463 0.523 20 30 GCEDRO CCCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1 ZINC000418962693 1192702870 /nfs/dbraw/zinc/70/28/70/1192702870.db2.gz LIVOOQWLLNEBHW-ZWKOTPCHSA-N 1 0 397.479 0.376 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000418972632 1192706868 /nfs/dbraw/zinc/70/68/68/1192706868.db2.gz ZHOQXSWIPFFOED-MRXNPFEDSA-N 1 0 385.468 0.219 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@@H]1C[NH3+] ZINC000418970489 1192707183 /nfs/dbraw/zinc/70/71/83/1192707183.db2.gz WOPFYSLNNXYUJY-FHLIZLRMSA-N 1 0 397.479 0.219 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)C[C@H]1C[NH3+] ZINC000418970491 1192707488 /nfs/dbraw/zinc/70/74/88/1192707488.db2.gz WOPFYSLNNXYUJY-OLMNPRSZSA-N 1 0 397.479 0.219 20 30 GCEDRO C=CCCOCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418989680 1192710691 /nfs/dbraw/zinc/71/06/91/1192710691.db2.gz JZWDTDVOJNHTSI-ZWKOTPCHSA-N 1 0 375.469 0.966 20 30 GCEDRO C[NH+]=C(NCc1ccc(N(C)C)nc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261672681 1192730037 /nfs/dbraw/zinc/73/00/37/1192730037.db2.gz CGRHMWXENXJIOW-LJQANCHMSA-N 1 0 387.488 0.533 20 30 GCEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261673109 1192732376 /nfs/dbraw/zinc/73/23/76/1192732376.db2.gz GYNWQTRPOOLQJR-UHFFFAOYSA-N 1 0 380.456 0.694 20 30 GCEDRO C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261686038 1192787547 /nfs/dbraw/zinc/78/75/47/1192787547.db2.gz DOPIGOBIHXGIAZ-QLXKLKPCSA-N 1 0 385.534 0.419 20 30 GCEDRO N#Cc1cnn2cc(C[NH2+]CCCN3CCN(c4ncccn4)CC3)cnc12 ZINC000549762107 1192872887 /nfs/dbraw/zinc/87/28/87/1192872887.db2.gz ZVCOQPBPOPAEER-UHFFFAOYSA-N 1 0 377.456 0.693 20 30 GCEDRO C[NH+]=C(NC[C@H](O)C1CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261691928 1192888244 /nfs/dbraw/zinc/88/82/44/1192888244.db2.gz FFJPMPVZAKZQIR-KXBFYZLASA-N 1 0 379.505 0.813 20 30 GCEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261691898 1192888664 /nfs/dbraw/zinc/88/86/64/1192888664.db2.gz FEIZTJSXJDLCMK-HXUWFJFHSA-N 1 0 397.483 0.922 20 30 GCEDRO CC[NH+]=C(NCc1c(C)nn(C)c1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261693179 1192889491 /nfs/dbraw/zinc/88/94/91/1192889491.db2.gz FJLBLORGBMTBLI-IBGZPJMESA-N 1 0 389.504 0.813 20 30 GCEDRO C[C@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000573586686 1192908328 /nfs/dbraw/zinc/90/83/28/1192908328.db2.gz DGZKEPAXEHQJAR-WMLDXEAASA-N 1 0 385.468 0.439 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(N3CC[NH+](CC)CC3)c2)C1=O ZINC000274492879 1184076444 /nfs/dbraw/zinc/07/64/44/1184076444.db2.gz RONLPCXXXJNZPE-UHFFFAOYSA-N 1 0 399.451 0.744 20 30 GCEDRO CN(CCC#N)S(=O)(=O)N1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000108928391 1184094872 /nfs/dbraw/zinc/09/48/72/1184094872.db2.gz GTIKLFVHRILCML-UHFFFAOYSA-N 1 0 387.550 0.493 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]3C(C)(C)C)[C@@H](O)C2)CC1 ZINC000969300339 1184246682 /nfs/dbraw/zinc/24/66/82/1184246682.db2.gz MJNYKYYCXISHMA-TVFCKZIOSA-N 1 0 375.513 0.702 20 30 GCEDRO Cn1c(=O)c(C#N)c(N2CCC([NH2+]CCOc3ccccc3)CC2)n(C)c1=O ZINC000097596018 1184314488 /nfs/dbraw/zinc/31/44/88/1184314488.db2.gz ZRGQSYSPYTZZQH-UHFFFAOYSA-N 1 0 383.452 0.593 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](O)C1 ZINC000969512531 1184333342 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JLFBULBSKKOWAE-CYBMUJFWSA-N 1 0 388.497 0.679 20 30 GCEDRO C#CCNC(=O)C[NH2+]C[C@]12CCC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccnn1C)C2 ZINC001112486127 1184857637 /nfs/dbraw/zinc/85/76/37/1184857637.db2.gz AXZWJXWPNBQQPX-WCLQXYBISA-N 1 0 383.496 0.491 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1O ZINC000970706696 1184977908 /nfs/dbraw/zinc/97/79/08/1184977908.db2.gz LPNAKJOQJMOECC-WCVJEAGWSA-N 1 0 393.509 0.702 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@@H](NC(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21)C1CC1 ZINC001670496727 1184988821 /nfs/dbraw/zinc/98/88/21/1184988821.db2.gz VZZTXUMUOLKVFP-LJIGWXMPSA-N 1 0 378.473 0.298 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2)c(F)c1 ZINC000580301159 1185144610 /nfs/dbraw/zinc/14/46/10/1185144610.db2.gz HNFUARKZFNMDJR-JKSUJKDBSA-N 1 0 387.459 0.980 20 30 GCEDRO COc1ccc(C#N)cc1NC(=O)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000275856673 1185186861 /nfs/dbraw/zinc/18/68/61/1185186861.db2.gz HYPPAQNRVMQHTO-DLBZAZTESA-N 1 0 386.452 0.999 20 30 GCEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261712472 1185243195 /nfs/dbraw/zinc/24/31/95/1185243195.db2.gz PUAFMAHVFKEHJX-AWEZNQCLSA-N 1 0 392.403 0.681 20 30 GCEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000579683982 1185252499 /nfs/dbraw/zinc/25/24/99/1185252499.db2.gz WGQCLCNXTGXGSG-UHFFFAOYSA-N 1 0 384.484 0.402 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)ncc1C#N ZINC000580568398 1185277762 /nfs/dbraw/zinc/27/77/62/1185277762.db2.gz FILSPPREMYWOJP-ZWKOTPCHSA-N 1 0 393.447 0.952 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000275921727 1185282842 /nfs/dbraw/zinc/28/28/42/1185282842.db2.gz URQWZBODKGZPOI-UHFFFAOYSA-N 1 0 380.470 0.723 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CCC[C@@H](Cn4ccnn4)C3)CC2)o1 ZINC000119223387 1185285724 /nfs/dbraw/zinc/28/57/24/1185285724.db2.gz PTLJGADLPSCBAB-MRXNPFEDSA-N 1 0 398.471 0.507 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1C#N ZINC000580639607 1185295235 /nfs/dbraw/zinc/29/52/35/1185295235.db2.gz ODWMNOJDRINQQZ-ZDUSSCGKSA-N 1 0 376.486 0.169 20 30 GCEDRO CC[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155814259 1185300998 /nfs/dbraw/zinc/30/09/98/1185300998.db2.gz BDSNFSDHJAIHOO-UHFFFAOYSA-N 1 0 399.503 0.552 20 30 GCEDRO N#Cc1ccc2c(c1)N(C(=O)C(=O)NC1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CC2 ZINC000275945287 1185333298 /nfs/dbraw/zinc/33/32/98/1185333298.db2.gz YKJWSDJZHNWKJE-HKUYNNGSSA-N 1 0 382.464 0.941 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000579839723 1185340398 /nfs/dbraw/zinc/34/03/98/1185340398.db2.gz PPAHVCKSJRRUCN-MRXNPFEDSA-N 1 0 376.482 0.685 20 30 GCEDRO COC(=O)CCN1CCN(C(=O)C(=O)Nc2ccc(C#N)cc2F)[C@@H](C)C1 ZINC000275959867 1185340965 /nfs/dbraw/zinc/34/09/65/1185340965.db2.gz SJRKDEGFHVUBEF-LBPRGKRZSA-N 1 0 376.388 0.732 20 30 GCEDRO C[NH+]=C(NCCc1ccc([N+](=O)[O-])cc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155840127 1185371341 /nfs/dbraw/zinc/37/13/41/1185371341.db2.gz DZPDBMAROAZWJX-UHFFFAOYSA-N 1 0 385.428 0.795 20 30 GCEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261848380 1185506005 /nfs/dbraw/zinc/50/60/05/1185506005.db2.gz XSHKCPUFPATYGB-IBGZPJMESA-N 1 0 387.440 0.801 20 30 GCEDRO C#CCN(C(=O)C(=O)NCCc1c(F)cc(O)cc1F)C1CC[NH+](C)CC1 ZINC000933111620 1185543200 /nfs/dbraw/zinc/54/32/00/1185543200.db2.gz LLDWWKXPQHTTMZ-UHFFFAOYSA-N 1 0 379.407 0.885 20 30 GCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000477060103 1185571746 /nfs/dbraw/zinc/57/17/46/1185571746.db2.gz UCFVCRRDBLWTIV-QAPCUYQASA-N 1 0 399.495 0.622 20 30 GCEDRO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)C1 ZINC000328792422 1185699711 /nfs/dbraw/zinc/69/97/11/1185699711.db2.gz AGKXUWLKYQDWQG-QGZVFWFLSA-N 1 0 381.521 0.109 20 30 GCEDRO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000073777713 1185754551 /nfs/dbraw/zinc/75/45/51/1185754551.db2.gz IXSYYCWHMCPFMZ-NVXWUHKLSA-N 1 0 377.489 0.781 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)C[C@H]1[NH3+] ZINC000581602049 1185783038 /nfs/dbraw/zinc/78/30/38/1185783038.db2.gz SDPMCRJCUXGYCJ-WMLDXEAASA-N 1 0 392.463 0.561 20 30 GCEDRO CCOC(=O)CO/N=C(/C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cc[nH]n1 ZINC000276695225 1185972616 /nfs/dbraw/zinc/97/26/16/1185972616.db2.gz QMCNOJQPGJAQDQ-WRGUXLKQSA-N 1 0 395.460 0.309 20 30 GCEDRO COC1CC[NH+](CCNC(=O)c2ccc(C)c(S(=O)(=O)NCC#N)c2)CC1 ZINC000610573105 1186014881 /nfs/dbraw/zinc/01/48/81/1186014881.db2.gz YXELNLWTGAXTIT-UHFFFAOYSA-N 1 0 394.497 0.638 20 30 GCEDRO C[C@]1(C2CC[NH+](C[C@@H](O)COc3ccc(CC#N)cc3)CC2)NC(=O)NC1=O ZINC000610648609 1186093209 /nfs/dbraw/zinc/09/32/09/1186093209.db2.gz YODVALQOHOCHGF-OXQOHEQNSA-N 1 0 386.452 0.802 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000891904057 1186150281 /nfs/dbraw/zinc/15/02/81/1186150281.db2.gz SJSAQRSYZIUDCD-QGZVFWFLSA-N 1 0 399.561 0.293 20 30 GCEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000247530846 1186167393 /nfs/dbraw/zinc/16/73/93/1186167393.db2.gz ZWEQGMTYYNWKQG-CVEARBPZSA-N 1 0 386.504 0.204 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2C(=O)N[C@]3(CCSC3)C2=O)C1 ZINC000328999726 1186169799 /nfs/dbraw/zinc/16/97/99/1186169799.db2.gz KWOLGSFBPSITJM-DYVFJYSZSA-N 1 0 384.502 0.932 20 30 GCEDRO CCOC(=O)c1cnn2c1nccc2C(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000535717646 1186205041 /nfs/dbraw/zinc/20/50/41/1186205041.db2.gz SKDWIRBBLBWCHJ-UHFFFAOYSA-N 1 0 396.411 0.905 20 30 GCEDRO C#CCN(C)[C@@H](C)C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1 ZINC000277012743 1186228943 /nfs/dbraw/zinc/22/89/43/1186228943.db2.gz PYEZZWNENIBFPZ-HNNXBMFYSA-N 1 0 379.482 0.908 20 30 GCEDRO Cc1nnc(N2CCN(c3cccc(F)c3C#N)CC2)n1C[C@@]1(O)CC[N@@H+](C)C1 ZINC001707909382 1186256852 /nfs/dbraw/zinc/25/68/52/1186256852.db2.gz RSUDQWYRTHNSMI-HXUWFJFHSA-N 1 0 399.474 0.991 20 30 GCEDRO Cc1nnc(N2CCO[C@@H](C#N)C2)n1CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001707916642 1186274779 /nfs/dbraw/zinc/27/47/79/1186274779.db2.gz KWUDRJVGDUJTLS-JKSUJKDBSA-N 1 0 375.477 0.258 20 30 GCEDRO COCC(C)(C)[NH2+]CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000551712743 1186436939 /nfs/dbraw/zinc/43/69/39/1186436939.db2.gz INHLEHAGDTVITA-UHFFFAOYSA-N 1 0 394.497 0.406 20 30 GCEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000582206154 1186462588 /nfs/dbraw/zinc/46/25/88/1186462588.db2.gz QZJRNLOKEPAYBN-UHFFFAOYSA-N 1 0 385.468 0.722 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000120031114 1186481671 /nfs/dbraw/zinc/48/16/71/1186481671.db2.gz FVQDAZNHCQUIDM-XJKSGUPXSA-N 1 0 376.482 0.826 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000120031584 1186481777 /nfs/dbraw/zinc/48/17/77/1186481777.db2.gz FVQDAZNHCQUIDM-CJNGLKHVSA-N 1 0 376.482 0.826 20 30 GCEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 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/nfs/dbraw/zinc/71/55/61/1186715561.db2.gz MHAHGVMWGVJXGR-SFHVURJKSA-N 1 0 395.548 0.497 20 30 GCEDRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)O1 ZINC000091537401 1186750819 /nfs/dbraw/zinc/75/08/19/1186750819.db2.gz YVMLJCGKHHJEBJ-IRXDYDNUSA-N 1 0 377.464 0.898 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CC[C@H]([NH+]2CCCCC2)C1)c1ccn[nH]1 ZINC000278037746 1186755810 /nfs/dbraw/zinc/75/58/10/1186755810.db2.gz RTLNGOIUBQZXQM-HGNXGAGXSA-N 1 0 377.445 0.780 20 30 GCEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000583070168 1186763246 /nfs/dbraw/zinc/76/32/46/1186763246.db2.gz PXXKGVSCNJEIGA-QGZVFWFLSA-N 1 0 384.484 0.545 20 30 GCEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000583070167 1186763411 /nfs/dbraw/zinc/76/34/11/1186763411.db2.gz PXXKGVSCNJEIGA-KRWDZBQOSA-N 1 0 384.484 0.545 20 30 GCEDRO C#CCOCCNC(=O)C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000785163556 1186773446 /nfs/dbraw/zinc/77/34/46/1186773446.db2.gz HNKKMFPCTWDXTJ-UHFFFAOYSA-N 1 0 384.480 0.923 20 30 GCEDRO CN(C)C(=O)CNC(NC[C@H]1COC2(CCOCC2)O1)=[NH+]C1CCCCC1 ZINC000262307425 1186859079 /nfs/dbraw/zinc/85/90/79/1186859079.db2.gz OYPSETDIZZRFEI-INIZCTEOSA-N 1 0 382.505 0.865 20 30 GCEDRO CN(C)C(=O)CNC(N[C@@H]1CCO[C@]2(CCOC2)C1)=[NH+]C[C@@H]1CCCCO1 ZINC000262323595 1186867470 /nfs/dbraw/zinc/86/74/70/1186867470.db2.gz SOCITVWUUWMQOH-JTDSTZFVSA-N 1 0 382.505 0.517 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000583507042 1186873833 /nfs/dbraw/zinc/87/38/33/1186873833.db2.gz RFFVCAMVISDMGA-BZSNNMDCSA-N 1 0 380.533 0.472 20 30 GCEDRO CC(C)[C@H](CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000329198930 1186874749 /nfs/dbraw/zinc/87/47/49/1186874749.db2.gz UVBDITOVQTVGCH-SFHVURJKSA-N 1 0 395.548 0.497 20 30 GCEDRO COCc1nc2n(n1)CCC[C@@H]2NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000329232038 1186880477 /nfs/dbraw/zinc/88/04/77/1186880477.db2.gz LBEBNFDTQUHOTO-KFWWJZLASA-N 1 0 378.477 0.968 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000262342762 1186886574 /nfs/dbraw/zinc/88/65/74/1186886574.db2.gz CWWGMAJYTRFXDB-IRXDYDNUSA-N 1 0 386.562 0.429 20 30 GCEDRO CC(=O)N1CCN(C(=O)CCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000329323800 1186915514 /nfs/dbraw/zinc/91/55/14/1186915514.db2.gz SDHNMHIALIQXCX-UHFFFAOYSA-N 1 0 381.521 0.880 20 30 GCEDRO CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=[NH2+])NCCCN1CCOCC1 ZINC000130874501 1186948057 /nfs/dbraw/zinc/94/80/57/1186948057.db2.gz XLYYTRXTYUHDBI-INIZCTEOSA-N 1 0 382.530 0.866 20 30 GCEDRO CCN1CCN(C(NC[C@@H]2CCS(=O)(=O)C2)=[NH+]C2CCCCC2)CC1=O ZINC000262371227 1186997090 /nfs/dbraw/zinc/99/70/90/1186997090.db2.gz IRDCHAOMBIEFNF-HNNXBMFYSA-N 1 0 384.546 0.864 20 30 GCEDRO CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000329668062 1186997252 /nfs/dbraw/zinc/99/72/52/1186997252.db2.gz LQQVFSIECMNACY-UHFFFAOYSA-N 1 0 393.532 0.932 20 30 GCEDRO CCS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000329668992 1186997543 /nfs/dbraw/zinc/99/75/43/1186997543.db2.gz MBQSADCMLDDRGT-HNNXBMFYSA-N 1 0 388.534 0.369 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)c1ccn[nH]1 ZINC000278661931 1187010886 /nfs/dbraw/zinc/01/08/86/1187010886.db2.gz OBWBPSLNIXMCJB-YXDNYIMLSA-N 1 0 388.428 1.000 20 30 GCEDRO N#Cc1ccc(F)c(CS(=O)(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000162159747 1187032105 /nfs/dbraw/zinc/03/21/05/1187032105.db2.gz CJGQQUPQGXVQGY-UHFFFAOYSA-N 1 0 394.472 0.767 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H]3CCN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)C[C@H]32)CC1 ZINC000972606346 1187035085 /nfs/dbraw/zinc/03/50/85/1187035085.db2.gz XWAHFGNENMOODL-KEDMDAKRSA-N 1 0 397.519 0.814 20 30 GCEDRO O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000329775652 1187041011 /nfs/dbraw/zinc/04/10/11/1187041011.db2.gz NGENUDCFEWSJQU-UHFFFAOYSA-N 1 0 397.501 0.663 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262448767 1187099043 /nfs/dbraw/zinc/09/90/43/1187099043.db2.gz VQYCLOJARMTPOS-CYBMUJFWSA-N 1 0 384.481 0.138 20 30 GCEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000262766292 1187116514 /nfs/dbraw/zinc/11/65/14/1187116514.db2.gz GMSJOWYUDMXJIP-SFHVURJKSA-N 1 0 380.562 0.910 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001023847433 1187157306 /nfs/dbraw/zinc/15/73/06/1187157306.db2.gz HFWPPOQZKSRZEJ-MLHJIOFPSA-N 1 0 393.528 0.920 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1O ZINC001023942990 1187181127 /nfs/dbraw/zinc/18/11/27/1187181127.db2.gz YGJGYEXUFBUITE-LHHMISFZSA-N 1 0 379.501 0.387 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1O ZINC001023958380 1187192889 /nfs/dbraw/zinc/19/28/89/1187192889.db2.gz LMUZKBFXHWKPIZ-TVFCKZIOSA-N 1 0 393.528 0.920 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1O ZINC001023958602 1187192918 /nfs/dbraw/zinc/19/29/18/1187192918.db2.gz QWUXJRNJAQSCEZ-TVFCKZIOSA-N 1 0 379.501 0.387 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CN(C(=O)[C@@H]3C[C@H]3CC(C)C)C[C@H]2O)CC1 ZINC001024132000 1187261184 /nfs/dbraw/zinc/26/11/84/1187261184.db2.gz PAYYIBYLWGKEHO-NCXUSEDFSA-N 1 0 375.513 0.702 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001024384227 1187372054 /nfs/dbraw/zinc/37/20/54/1187372054.db2.gz RXLHKNPBLQURAX-TVFCKZIOSA-N 1 0 391.512 0.532 20 30 GCEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)C1 ZINC000658678166 1187409273 /nfs/dbraw/zinc/40/92/73/1187409273.db2.gz VNZBVXPJGMHDIF-SJORKVTESA-N 1 0 376.501 0.566 20 30 GCEDRO C=CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000548945724 1187540110 /nfs/dbraw/zinc/54/01/10/1187540110.db2.gz OJCGSUAXTGZVLJ-UHFFFAOYSA-N 1 0 384.488 0.609 20 30 GCEDRO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC(=O)N2Cc2cccc(C#N)c2)CC[N@H+](C)C1 ZINC000413894163 1187568422 /nfs/dbraw/zinc/56/84/22/1187568422.db2.gz CEKYIXPZRQBBGB-QZTJIDSGSA-N 1 0 398.463 0.612 20 30 GCEDRO COC(=O)c1cn([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(CC#N)cc3)C2)nn1 ZINC000612828361 1187599339 /nfs/dbraw/zinc/59/93/39/1187599339.db2.gz WKTZCHBBXDDQQV-JKSUJKDBSA-N 1 0 385.424 0.817 20 30 GCEDRO CCN(C[C@H](C)C#N)S(=O)(=O)N1CCC([NH+](CCOC)CCOC)CC1 ZINC000511429646 1187669018 /nfs/dbraw/zinc/66/90/18/1187669018.db2.gz OIQFLFGLDQAXIU-MRXNPFEDSA-N 1 0 390.550 0.772 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)CC[NH2+]CC2(N3CCOCC3)CCOCC2)nc1 ZINC000580185402 1187675377 /nfs/dbraw/zinc/67/53/77/1187675377.db2.gz IFTKSNKYKVXDCQ-UHFFFAOYSA-N 1 0 394.497 0.198 20 30 GCEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)[C@@H]2C1 ZINC000580413511 1187682836 /nfs/dbraw/zinc/68/28/36/1187682836.db2.gz OTMGAOYPKJRESE-MAUKXSAKSA-N 1 0 382.468 0.154 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)[C@@H]2C1 ZINC000580413510 1187682944 /nfs/dbraw/zinc/68/29/44/1187682944.db2.gz OTMGAOYPKJRESE-CRAIPNDOSA-N 1 0 382.468 0.154 20 30 GCEDRO COCC(COC)N1CCN([C@@H]2CC(=O)N(c3ccc(C#N)cc3)C2=O)CC1 ZINC000414100963 1187715201 /nfs/dbraw/zinc/71/52/01/1187715201.db2.gz BKBJEOWNXDBUJV-GOSISDBHSA-N 1 0 386.452 0.469 20 30 GCEDRO C[C@@]1(c2ccc(C[NH2+]Cc3cnc4c(C#N)cnn4c3)cc2)NC(=O)NC1=O ZINC000581655111 1187718899 /nfs/dbraw/zinc/71/88/99/1187718899.db2.gz SRJGCSVAACBXTQ-IBGZPJMESA-N 1 0 375.392 0.945 20 30 GCEDRO COc1cc(C#N)ccc1S(=O)(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000613343508 1187723621 /nfs/dbraw/zinc/72/36/21/1187723621.db2.gz FDNRURFMPAUTRR-INIZCTEOSA-N 1 0 378.498 0.967 20 30 GCEDRO C[NH+]1CCC(O)(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CC1 ZINC000582462164 1187736124 /nfs/dbraw/zinc/73/61/24/1187736124.db2.gz GVXBILIKKHGYOD-KRWDZBQOSA-N 1 0 385.468 0.415 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001025001490 1187743886 /nfs/dbraw/zinc/74/38/86/1187743886.db2.gz RPAXLPBZISBCAA-VQHPVUNQSA-N 1 0 379.501 0.530 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2C[NH2+]CC[C@H]2c2cccc(F)c2)C1=O ZINC000659350065 1187947884 /nfs/dbraw/zinc/94/78/84/1187947884.db2.gz MUZDYSLTPREGAV-GJZGRUSLSA-N 1 0 388.399 0.364 20 30 GCEDRO O=C(Cn1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000330029137 1187976589 /nfs/dbraw/zinc/97/65/89/1187976589.db2.gz POEVCENQZOWIIU-QGZVFWFLSA-N 1 0 390.488 0.848 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCOCCNC(C)=O)C1 ZINC001104704273 1188007364 /nfs/dbraw/zinc/00/73/64/1188007364.db2.gz PSHVNHHHKUMKSD-OWYHZJEWSA-N 1 0 381.517 0.804 20 30 GCEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722007 1188009017 /nfs/dbraw/zinc/00/90/17/1188009017.db2.gz ANGHRDSZOMIHTA-KGLIPLIRSA-N 1 0 376.423 0.753 20 30 GCEDRO Cc1cccc(NC(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C#N ZINC000415327435 1188036205 /nfs/dbraw/zinc/03/62/05/1188036205.db2.gz JBAYPBHETDPWIZ-HNNXBMFYSA-N 1 0 383.452 0.476 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000415359909 1188060801 /nfs/dbraw/zinc/06/08/01/1188060801.db2.gz LILHVXDODGNJCO-HNNXBMFYSA-N 1 0 394.497 0.642 20 30 GCEDRO C=C(C)COc1cccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000415373515 1188066057 /nfs/dbraw/zinc/06/60/57/1188066057.db2.gz UFUSUKWVARDZCE-OAHLLOKOSA-N 1 0 388.468 0.894 20 30 GCEDRO CCOC(=O)c1c(NC(=O)NC[C@@H]2C[NH2+]CCO2)c(C#N)cn1CCOC ZINC000415502478 1188094196 /nfs/dbraw/zinc/09/41/96/1188094196.db2.gz XBBLFQXFPVASBM-ZDUSSCGKSA-N 1 0 379.417 0.293 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)n1 ZINC000415553545 1188105251 /nfs/dbraw/zinc/10/52/51/1188105251.db2.gz RSTIGXWCURXCFD-UHFFFAOYSA-N 1 0 396.426 1.424 20 30 GCEDRO O=C(N[C@@H]1CC[N@H+](CCN2CCOCC2)C1)N1CCC2(CC1)CC(=O)C=CO2 ZINC000893054785 1188125717 /nfs/dbraw/zinc/12/57/17/1188125717.db2.gz ZYGSBJOJOIVMBY-QGZVFWFLSA-N 1 0 392.500 0.440 20 30 GCEDRO CC[NH+](CC)CCN(CCOC)C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290340934 1188126919 /nfs/dbraw/zinc/12/69/19/1188126919.db2.gz ILFYDYQRXXXGPX-UHFFFAOYSA-N 1 0 396.513 0.653 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000893065660 1188132035 /nfs/dbraw/zinc/13/20/35/1188132035.db2.gz PAYOZNDTCZQWLD-HNNXBMFYSA-N 1 0 387.550 0.148 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000415669061 1188135658 /nfs/dbraw/zinc/13/56/58/1188135658.db2.gz AYYRFXRRTMFGMF-MRXNPFEDSA-N 1 0 395.467 1.031 20 30 GCEDRO COC[C@@]1(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CCC[NH2+]1 ZINC000415709523 1188146434 /nfs/dbraw/zinc/14/64/34/1188146434.db2.gz PMDFNKBOAYEQJH-KRWDZBQOSA-N 1 0 382.367 0.983 20 30 GCEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C1 ZINC000290350464 1188150358 /nfs/dbraw/zinc/15/03/58/1188150358.db2.gz JDWUGZFGRSKNQU-INIZCTEOSA-N 1 0 378.498 0.931 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)n2)c(Cl)c1 ZINC000415743180 1188154451 /nfs/dbraw/zinc/15/44/51/1188154451.db2.gz KFBAQQIXPHOVTD-KBPBESRZSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000415739031 1188155165 /nfs/dbraw/zinc/15/51/65/1188155165.db2.gz FKGVONLDXUYUQQ-JSGCOSHPSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)n2)c(F)c1 ZINC000415755675 1188157380 /nfs/dbraw/zinc/15/73/80/1188157380.db2.gz AGJGGADLFRGVOD-DZGCQCFKSA-N 1 0 382.399 1.032 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)n1 ZINC000415766893 1188160350 /nfs/dbraw/zinc/16/03/50/1188160350.db2.gz MIVSICZWQNIYAW-WFASDCNBSA-N 1 0 382.399 1.032 20 30 GCEDRO C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000377893749 1188164899 /nfs/dbraw/zinc/16/48/99/1188164899.db2.gz IXZULEVNLPEJDO-STQMWFEESA-N 1 0 379.424 0.819 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3F)n2)C[C@H]1C[NH3+] ZINC000415848536 1189380472 /nfs/dbraw/zinc/38/04/72/1189380472.db2.gz LWGXIKXEICRDHH-TZMCWYRMSA-N 1 0 384.415 1.265 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)Nc2ccn(-c3cccc(F)c3C#N)n2)C[C@H]1C[NH3+] ZINC000415852524 1189382542 /nfs/dbraw/zinc/38/25/42/1189382542.db2.gz RBRZQERZHOFSEU-QWHCGFSZSA-N 1 0 384.415 1.265 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)c(Cl)c1 ZINC000415886026 1189397571 /nfs/dbraw/zinc/39/75/71/1189397571.db2.gz FZYHKRCWKVABIR-UONOGXRCSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)c(Cl)c1 ZINC000415886030 1189397692 /nfs/dbraw/zinc/39/76/92/1189397692.db2.gz FZYHKRCWKVABIR-ZIAGYGMSSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)n1 ZINC000415902317 1189399450 /nfs/dbraw/zinc/39/94/50/1189399450.db2.gz XYVYSUQBXMUKRD-STQMWFEESA-N 1 0 382.399 0.889 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CC(=O)N2CCOCC2)C1 ZINC001104782466 1189435190 /nfs/dbraw/zinc/43/51/90/1189435190.db2.gz CTBYMOMYAGGGOG-XSYGEPLQSA-N 1 0 393.528 0.901 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCNS(C)(=O)=O)C1 ZINC001104784393 1189435814 /nfs/dbraw/zinc/43/58/14/1189435814.db2.gz MMWKBHAXZAOJGA-NCOADZHNSA-N 1 0 387.546 0.591 20 30 GCEDRO C[C@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378306750 1189469104 /nfs/dbraw/zinc/46/91/04/1189469104.db2.gz KNQVYILRWZORGF-QFBILLFUSA-N 1 0 383.496 0.772 20 30 GCEDRO C#CCN(C(=O)C(=O)NCc1c(C(F)(F)F)cnn1C)C1CC[NH+](C)CC1 ZINC000931056303 1189719113 /nfs/dbraw/zinc/71/91/13/1189719113.db2.gz ADQYNXHCOKPUAE-UHFFFAOYSA-N 1 0 385.390 0.611 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418392530 1189775269 /nfs/dbraw/zinc/77/52/69/1189775269.db2.gz ZMXOQJAYTVDCDH-OAHLLOKOSA-N 1 0 377.470 0.326 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418397771 1189776400 /nfs/dbraw/zinc/77/64/00/1189776400.db2.gz JVWUCOOWOQKURO-OAHLLOKOSA-N 1 0 377.470 0.311 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)cc1 ZINC000418397342 1189776551 /nfs/dbraw/zinc/77/65/51/1189776551.db2.gz JALQZUHBUAAASV-MRXNPFEDSA-N 1 0 377.470 0.311 20 30 GCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418417253 1189781985 /nfs/dbraw/zinc/78/19/85/1189781985.db2.gz WLHNMHPBKCPOGH-INIZCTEOSA-N 1 0 379.486 0.557 20 30 GCEDRO Cc1onc(CC(=O)N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)c1C#N ZINC000500345070 1189784283 /nfs/dbraw/zinc/78/42/83/1189784283.db2.gz INGFIOLFRWDNMP-SFHVURJKSA-N 1 0 383.452 0.803 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3NC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000976913515 1190071914 /nfs/dbraw/zinc/07/19/14/1190071914.db2.gz PGAUFVRWZMYUCL-VIGUEYCZSA-N 1 0 383.492 0.328 20 30 GCEDRO CC[NH+]=C(NCC1(O)CCCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261711557 1193754814 /nfs/dbraw/zinc/75/48/14/1193754814.db2.gz HGNZGQHFZDIZNO-SFHVURJKSA-N 1 0 379.505 0.957 20 30 GCEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@H]1CCc2nc(COC)nn2C1 ZINC000261721528 1193785045 /nfs/dbraw/zinc/78/50/45/1193785045.db2.gz IKMGNRNDIRLGPM-ZDUSSCGKSA-N 1 0 387.492 0.422 20 30 GCEDRO CC[NH+]=C(NCC(C)(C)C(=O)NC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261737941 1193837397 /nfs/dbraw/zinc/83/73/97/1193837397.db2.gz KGXMAHXQBWMDSQ-GOSISDBHSA-N 1 0 380.493 0.034 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)NC[C@@H]2C[NH2+]CCO2)cc(OC)c1OC ZINC000419353358 1193848943 /nfs/dbraw/zinc/84/89/43/1193848943.db2.gz CBKOWWDRWVHIGU-HNNXBMFYSA-N 1 0 377.441 0.153 20 30 GCEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)NCCNc2ccc(C#N)cn2)CC1 ZINC000729046674 1193903639 /nfs/dbraw/zinc/90/36/39/1193903639.db2.gz ULJMSRAIDSIOOY-UHFFFAOYSA-N 1 0 387.488 0.561 20 30 GCEDRO C[NH+]=C(NCCN1CCc2sccc2C1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261624754 1193921472 /nfs/dbraw/zinc/92/14/72/1193921472.db2.gz BTMNTBHWHWLAMX-UHFFFAOYSA-N 1 0 392.573 0.563 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261656468 1193922023 /nfs/dbraw/zinc/92/20/23/1193922023.db2.gz FOYKKZWZIWEODC-KRWDZBQOSA-N 1 0 383.500 0.997 20 30 GCEDRO CC[NH+]=C(NCc1nnc2n1CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261668264 1193922666 /nfs/dbraw/zinc/92/26/66/1193922666.db2.gz GMKZUEHVSNZKSD-UHFFFAOYSA-N 1 0 385.476 0.162 20 30 GCEDRO C[NH+]=C(NC[C@@H](O)c1ccccc1OC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261672007 1193922897 /nfs/dbraw/zinc/92/28/97/1193922897.db2.gz GVMLBBDEUPYNSU-MRXNPFEDSA-N 1 0 386.456 0.386 20 30 GCEDRO C[NH+]=C(NCCn1cncn1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261682567 1193923149 /nfs/dbraw/zinc/92/31/49/1193923149.db2.gz DFOUDOUCWQPZMF-UHFFFAOYSA-N 1 0 375.864 0.851 20 30 GCEDRO C[NH+]=C(NCCc1cccnc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261712958 1193923447 /nfs/dbraw/zinc/92/34/47/1193923447.db2.gz HMAGXLPMNGTKFE-UHFFFAOYSA-N 1 0 392.485 0.335 20 30 GCEDRO C[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261700656 1193923698 /nfs/dbraw/zinc/92/36/98/1193923698.db2.gz JCOXZIIBIDCMGP-QGZVFWFLSA-N 1 0 379.534 0.081 20 30 GCEDRO CC[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261741288 1193924368 /nfs/dbraw/zinc/92/43/68/1193924368.db2.gz MLAXNOMDLSKOHE-NRFANRHFSA-N 1 0 387.528 0.667 20 30 GCEDRO CNC(=O)CNC(=[NH+]C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000261827401 1193927923 /nfs/dbraw/zinc/92/79/23/1193927923.db2.gz IUOIGJCIMFHUSH-ZDUSSCGKSA-N 1 0 379.892 0.737 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCS(=O)(=O)C(C)(C)C2)c1 ZINC000261952045 1193932945 /nfs/dbraw/zinc/93/29/45/1193932945.db2.gz HRGOZWSRAVKGQA-UHFFFAOYSA-N 1 0 376.482 0.691 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261958289 1193933281 /nfs/dbraw/zinc/93/32/81/1193933281.db2.gz JKBBJVPWWWLPNK-CVEARBPZSA-N 1 0 395.529 0.782 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261974036 1193934127 /nfs/dbraw/zinc/93/41/27/1193934127.db2.gz NIHLKYKDEJVVMX-INIZCTEOSA-N 1 0 395.529 0.782 20 30 GCEDRO [NH2+]=C(NCCNC(=O)c1ccccc1Cl)N1CCN(c2ncccn2)CC1 ZINC000261980793 1193934791 /nfs/dbraw/zinc/93/47/91/1193934791.db2.gz HYITVGWQLBSTCT-UHFFFAOYSA-N 1 0 387.875 0.997 20 30 GCEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261995246 1193934951 /nfs/dbraw/zinc/93/49/51/1193934951.db2.gz SFGCNRVFZPRNQM-CQSZACIVSA-N 1 0 397.474 0.982 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262244888 1193943169 /nfs/dbraw/zinc/94/31/69/1193943169.db2.gz APWLWVQVHIQBFS-RDJZCZTQSA-N 1 0 376.505 0.812 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262280464 1193944039 /nfs/dbraw/zinc/94/40/39/1193944039.db2.gz IZAOVDNGTBWKLB-DLBZAZTESA-N 1 0 392.504 0.396 20 30 GCEDRO CCN1CCN(C(N[C@@H]2CCOc3ccccc32)=[NH+]CC(=O)N(C)C)CC1=O ZINC000262298754 1193944374 /nfs/dbraw/zinc/94/43/74/1193944374.db2.gz NDSCXGRTJAYRJA-MRXNPFEDSA-N 1 0 387.484 0.708 20 30 GCEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccc2F)CC1 ZINC000262368877 1193946066 /nfs/dbraw/zinc/94/60/66/1193946066.db2.gz IEJBIGBSLXVSNB-OAHLLOKOSA-N 1 0 395.504 0.909 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262392967 1193947279 /nfs/dbraw/zinc/94/72/79/1193947279.db2.gz MNJQLONCEUMYLG-HNNXBMFYSA-N 1 0 396.513 0.826 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262427203 1193947877 /nfs/dbraw/zinc/94/78/77/1193947877.db2.gz RVEDFGJOXSVAMT-CQSZACIVSA-N 1 0 398.508 0.526 20 30 GCEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262573733 1193951244 /nfs/dbraw/zinc/95/12/44/1193951244.db2.gz NRFBIHSDMHHURX-HNNXBMFYSA-N 1 0 394.497 0.604 20 30 GCEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262568939 1193951320 /nfs/dbraw/zinc/95/13/20/1193951320.db2.gz MLWDSUHIWZFTJD-OAHLLOKOSA-N 1 0 378.502 0.165 20 30 GCEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262579985 1193951724 /nfs/dbraw/zinc/95/17/24/1193951724.db2.gz PZXGIYBYEVZXJE-SFHVURJKSA-N 1 0 384.484 0.935 20 30 GCEDRO C[NH+]=C(NCCn1cnc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262579984 1193951821 /nfs/dbraw/zinc/95/18/21/1193951821.db2.gz PZXGIYBYEVZXJE-GOSISDBHSA-N 1 0 384.484 0.935 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262605994 1193952095 /nfs/dbraw/zinc/95/20/95/1193952095.db2.gz ZRRXGEKEQRTWEW-GOSISDBHSA-N 1 0 399.495 0.474 20 30 GCEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262792019 1193955722 /nfs/dbraw/zinc/95/57/22/1193955722.db2.gz OJRIOTAWJURENL-SFHVURJKSA-N 1 0 397.483 0.666 20 30 GCEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C#N)cc2F)CC1 ZINC000433876608 1193956134 /nfs/dbraw/zinc/95/61/34/1193956134.db2.gz FXRZKTLSGHXKBL-UHFFFAOYSA-N 1 0 389.431 0.695 20 30 GCEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@H]1CCc2ncnn2C1 ZINC000262812924 1193956232 /nfs/dbraw/zinc/95/62/32/1193956232.db2.gz UVXXLQVEJYVMRE-HNNXBMFYSA-N 1 0 385.472 0.911 20 30 GCEDRO C[NH+]=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@H]1C[C@H]1C ZINC000262838451 1193956930 /nfs/dbraw/zinc/95/69/30/1193956930.db2.gz TWRRKZMZWCVVTE-PBHICJAKSA-N 1 0 380.514 0.922 20 30 GCEDRO C[NH+]=C(NC[C@H](c1cccs1)N1CCOCC1)N1CCN(C(C)=O)CC1 ZINC000262947671 1193958875 /nfs/dbraw/zinc/95/88/75/1193958875.db2.gz BADYPNKLFNGHLR-MRXNPFEDSA-N 1 0 379.530 0.861 20 30 GCEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419474008 1194039476 /nfs/dbraw/zinc/03/94/76/1194039476.db2.gz MAGLIZDQKRFSJT-SJORKVTESA-N 1 0 385.468 0.461 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)CC2)nc1 ZINC000419618258 1194070283 /nfs/dbraw/zinc/07/02/83/1194070283.db2.gz WRUVSNCLULMQLQ-FHZKDXSVSA-N 1 0 397.479 0.955 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419731616 1194089930 /nfs/dbraw/zinc/08/99/30/1194089930.db2.gz OMKZNWIQRHOTCW-YJNKEBTESA-N 1 0 385.468 0.874 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](C)[NH2+]1 ZINC000419734394 1194090393 /nfs/dbraw/zinc/09/03/93/1194090393.db2.gz QUSQNCNLDKHUNQ-JCAIJIATSA-N 1 0 385.468 0.968 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@H](C)[NH2+]1 ZINC000419734393 1194090496 /nfs/dbraw/zinc/09/04/96/1194090496.db2.gz QUSQNCNLDKHUNQ-CBHXASLJSA-N 1 0 385.468 0.968 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)C[C@@H](C)[NH2+]1 ZINC000419734395 1194090591 /nfs/dbraw/zinc/09/05/91/1194090591.db2.gz QUSQNCNLDKHUNQ-QBBMROGASA-N 1 0 385.468 0.968 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419739874 1194094171 /nfs/dbraw/zinc/09/41/71/1194094171.db2.gz WUSCPFYTMOOINF-CGZBRXJRSA-N 1 0 385.468 0.970 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000419796912 1194105055 /nfs/dbraw/zinc/10/50/55/1194105055.db2.gz QKDGALBYNHROHE-UHFFFAOYSA-N 1 0 394.497 0.642 20 30 GCEDRO Cc1nn(C)c(N2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)c1C#N ZINC000419798749 1194105611 /nfs/dbraw/zinc/10/56/11/1194105611.db2.gz AXIKPULSPWOKJL-UHFFFAOYSA-N 1 0 387.488 0.027 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@]12c1ccccc1NC2=O ZINC000419812180 1194112739 /nfs/dbraw/zinc/11/27/39/1194112739.db2.gz YUROWAHZVBQVGB-SZNDQCEHSA-N 1 0 395.463 0.636 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000419863822 1194125743 /nfs/dbraw/zinc/12/57/43/1194125743.db2.gz IHGONYVBVWLIAA-UHFFFAOYSA-N 1 0 398.511 0.008 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000419876566 1194130255 /nfs/dbraw/zinc/13/02/55/1194130255.db2.gz XJINZICWJBXAHB-ZDUSSCGKSA-N 1 0 398.423 0.308 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)nc1 ZINC000419923222 1194139276 /nfs/dbraw/zinc/13/92/76/1194139276.db2.gz GDVTXYBOLXBSLW-KRWDZBQOSA-N 1 0 378.436 0.418 20 30 GCEDRO CCC[NH2+]CCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000419926588 1194139692 /nfs/dbraw/zinc/13/96/92/1194139692.db2.gz JLSFPKYUMVQNRY-UHFFFAOYSA-N 1 0 377.876 0.976 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419911561 1194142872 /nfs/dbraw/zinc/14/28/72/1194142872.db2.gz JTIDQCGFKNGVDY-HOCLYGCPSA-N 1 0 393.451 0.202 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000419951496 1194143583 /nfs/dbraw/zinc/14/35/83/1194143583.db2.gz JOPPWXLWVXNDGF-CQSZACIVSA-N 1 0 375.448 0.836 20 30 GCEDRO C[C@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419984823 1194147519 /nfs/dbraw/zinc/14/75/19/1194147519.db2.gz DNGCVAHHEHVDAH-CQSZACIVSA-N 1 0 380.452 0.609 20 30 GCEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419981407 1194151945 /nfs/dbraw/zinc/15/19/45/1194151945.db2.gz RYZWXASJZUYQMA-QGZVFWFLSA-N 1 0 385.468 0.835 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000420000562 1194155365 /nfs/dbraw/zinc/15/53/65/1194155365.db2.gz OKWRVTABAHAXGG-GOSISDBHSA-N 1 0 397.479 0.994 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000420023115 1194158351 /nfs/dbraw/zinc/15/83/51/1194158351.db2.gz WZMKRPHZSPHZSL-YOEHRIQHSA-N 1 0 387.459 0.980 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000420062485 1194164856 /nfs/dbraw/zinc/16/48/56/1194164856.db2.gz CFPJQDMDWWFWII-KRWDZBQOSA-N 1 0 387.459 0.980 20 30 GCEDRO CC1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]CC1 ZINC000420062249 1194165135 /nfs/dbraw/zinc/16/51/35/1194165135.db2.gz BWCNDOBGTNWFDW-UHFFFAOYSA-N 1 0 383.496 0.708 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420054028 1194170729 /nfs/dbraw/zinc/17/07/29/1194170729.db2.gz FFQQDBKKBFMNHM-GOSISDBHSA-N 1 0 392.463 0.609 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC000420067297 1194171562 /nfs/dbraw/zinc/17/15/62/1194171562.db2.gz RSJQFLZUWAIEPP-RDJZCZTQSA-N 1 0 387.459 0.980 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)c(F)c1 ZINC000420067295 1194171606 /nfs/dbraw/zinc/17/16/06/1194171606.db2.gz RSJQFLZUWAIEPP-DOTOQJQBSA-N 1 0 387.459 0.980 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CC3)CC2)c(Cl)c1 ZINC000420071371 1194171924 /nfs/dbraw/zinc/17/19/24/1194171924.db2.gz XRZYQJVTPSHRKH-OAHLLOKOSA-N 1 0 375.860 0.714 20 30 GCEDRO CC1(CNC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC[NH2+]CC1 ZINC000420079861 1194173717 /nfs/dbraw/zinc/17/37/17/1194173717.db2.gz FOCZTSRVUUGOFF-UHFFFAOYSA-N 1 0 387.459 0.852 20 30 GCEDRO CC1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC[NH2+]CC1 ZINC000420085636 1194175186 /nfs/dbraw/zinc/17/51/86/1194175186.db2.gz NXURZOZSGGLNHV-GOSISDBHSA-N 1 0 383.496 0.729 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCC[NH2+]C1 ZINC000420098281 1194176833 /nfs/dbraw/zinc/17/68/33/1194176833.db2.gz JIZIAKSMNCUZAC-OREJSRFESA-N 1 0 395.463 0.364 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000420137326 1194184669 /nfs/dbraw/zinc/18/46/69/1194184669.db2.gz DNZUDOBWCCWWRZ-CQSZACIVSA-N 1 0 375.448 0.980 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000420137652 1194185487 /nfs/dbraw/zinc/18/54/87/1194185487.db2.gz LSIUGZYBVXJQKV-UHFFFAOYSA-N 1 0 387.871 0.896 20 30 GCEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000420157397 1194190287 /nfs/dbraw/zinc/19/02/87/1194190287.db2.gz BBNPQULJDNAPRQ-OAHLLOKOSA-N 1 0 394.479 0.869 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000420162841 1194191795 /nfs/dbraw/zinc/19/17/95/1194191795.db2.gz IZDBGHYKKKDLFG-IBGZPJMESA-N 1 0 381.480 0.649 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCCC2=CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000420162842 1194191884 /nfs/dbraw/zinc/19/18/84/1194191884.db2.gz IZDBGHYKKKDLFG-LJQANCHMSA-N 1 0 381.480 0.649 20 30 GCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420140642 1194192363 /nfs/dbraw/zinc/19/23/63/1194192363.db2.gz CFTPPTFVRDMEAF-OOVWBHHBSA-N 1 0 381.436 0.115 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420145010 1194193336 /nfs/dbraw/zinc/19/33/36/1194193336.db2.gz MXGZMPBVNCLBHO-ARGWCVDVSA-N 1 0 383.452 0.492 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000420197196 1194202447 /nfs/dbraw/zinc/20/24/47/1194202447.db2.gz VBUMIZHXRUWXKN-IBGZPJMESA-N 1 0 399.495 0.087 20 30 GCEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420208633 1194211170 /nfs/dbraw/zinc/21/11/70/1194211170.db2.gz GHBZXQGYNSPWNY-HNNXBMFYSA-N 1 0 397.401 0.469 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420211154 1194212805 /nfs/dbraw/zinc/21/28/05/1194212805.db2.gz HQNHXXVJDGYLDS-OAHLLOKOSA-N 1 0 397.401 0.469 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000420211851 1194213602 /nfs/dbraw/zinc/21/36/02/1194213602.db2.gz ORHFRMYMRJCIKM-MTQWCTHYSA-N 1 0 395.507 0.727 20 30 GCEDRO CCOC(=O)c1c(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)c(C#N)cn1CC ZINC000421163512 1194300593 /nfs/dbraw/zinc/30/05/93/1194300593.db2.gz IGZOUSPLTPLQQN-CQSZACIVSA-N 1 0 376.461 0.924 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c(C#N)cn1CC ZINC000421213036 1194306321 /nfs/dbraw/zinc/30/63/21/1194306321.db2.gz LGQNEYRWUYNZQW-CYBMUJFWSA-N 1 0 375.429 0.705 20 30 GCEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)C(C)C ZINC000421742875 1194361819 /nfs/dbraw/zinc/36/18/19/1194361819.db2.gz UBVGEUGMRYABAK-IAGOWNOFSA-N 1 0 381.517 0.800 20 30 GCEDRO C[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103893 1194386606 /nfs/dbraw/zinc/38/66/06/1194386606.db2.gz OIBFUQZNEQCZGX-VQIMIIECSA-N 1 0 386.496 0.925 20 30 GCEDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000271829303 1194416038 /nfs/dbraw/zinc/41/60/38/1194416038.db2.gz RJXXVNKIJPAFED-CQSZACIVSA-N 1 0 377.470 0.901 20 30 GCEDRO N#C[C@@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC000271999951 1194429202 /nfs/dbraw/zinc/42/92/02/1194429202.db2.gz RIJJGONHZDPPIJ-SFHVURJKSA-N 1 0 390.459 0.666 20 30 GCEDRO C[C@H](CC#N)N(C)S(=O)(=O)N1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000509962616 1194568935 /nfs/dbraw/zinc/56/89/35/1194568935.db2.gz GEYUORXBIVBCSN-MRXNPFEDSA-N 1 0 399.561 0.779 20 30 GCEDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000422312440 1194617244 /nfs/dbraw/zinc/61/72/44/1194617244.db2.gz SHXOTCXAJFFBND-HOTGVXAUSA-N 1 0 387.459 0.993 20 30 GCEDRO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000422624950 1194677764 /nfs/dbraw/zinc/67/77/64/1194677764.db2.gz AEIRVAPRVWAYBK-UHFFFAOYSA-N 1 0 384.484 0.591 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000423011862 1194717300 /nfs/dbraw/zinc/71/73/00/1194717300.db2.gz JNTWWHQDVTZARP-SLFFLAALSA-N 1 0 395.507 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423016519 1194717980 /nfs/dbraw/zinc/71/79/80/1194717980.db2.gz TXLHMFCQDYZTRE-RBUKOAKNSA-N 1 0 381.480 0.270 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033420 1194720388 /nfs/dbraw/zinc/72/03/88/1194720388.db2.gz GPZAYGHHZQZLOR-QFBILLFUSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000423037915 1194720885 /nfs/dbraw/zinc/72/08/85/1194720885.db2.gz NNKQAOUZELTNPD-PMACEKPBSA-N 1 0 395.507 0.803 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423041829 1194721650 /nfs/dbraw/zinc/72/16/50/1194721650.db2.gz XVUWYUSNBYYMAP-UXHICEINSA-N 1 0 395.507 0.660 20 30 GCEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423119624 1194728388 /nfs/dbraw/zinc/72/83/88/1194728388.db2.gz FHBMWPFJWRANSC-IBGZPJMESA-N 1 0 383.496 0.803 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)CC[NH2+]1 ZINC000423129320 1194729654 /nfs/dbraw/zinc/72/96/54/1194729654.db2.gz QZPTWDMIOUXGLA-CYBMUJFWSA-N 1 0 398.423 0.275 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000423146197 1194730723 /nfs/dbraw/zinc/73/07/23/1194730723.db2.gz OMVPSGQINDOTRD-HNNXBMFYSA-N 1 0 387.459 0.933 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)c1 ZINC000423147249 1194731052 /nfs/dbraw/zinc/73/10/52/1194731052.db2.gz CFOFYZALFPFBME-DLBZAZTESA-N 1 0 382.464 0.996 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000423149518 1194731083 /nfs/dbraw/zinc/73/10/83/1194731083.db2.gz XPTINNREXLRTDE-HNNXBMFYSA-N 1 0 387.459 0.804 20 30 GCEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423182382 1194736447 /nfs/dbraw/zinc/73/64/47/1194736447.db2.gz KGFDREXQXJUMBK-MRXNPFEDSA-N 1 0 390.459 0.654 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]C4)CC3)CC2)c(F)c1 ZINC000423205489 1194739667 /nfs/dbraw/zinc/73/96/67/1194739667.db2.gz BQURJRLNPMMXNX-UHFFFAOYSA-N 1 0 399.470 0.948 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000423214699 1194740561 /nfs/dbraw/zinc/74/05/61/1194740561.db2.gz MXVMXQCJQRNVQC-JKSUJKDBSA-N 1 0 385.443 0.414 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)c(F)c1 ZINC000423216120 1194740671 /nfs/dbraw/zinc/74/06/71/1194740671.db2.gz PMUVFYBFKCBXLU-WBVHZDCISA-N 1 0 385.443 0.556 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c(F)c1 ZINC000423218261 1194741192 /nfs/dbraw/zinc/74/11/92/1194741192.db2.gz UJYTUODNCQXBQI-FQEVSTJZSA-N 1 0 385.443 0.558 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H]1[NH3+] ZINC000423229661 1194742143 /nfs/dbraw/zinc/74/21/43/1194742143.db2.gz HNQUSUNAEFPSLN-SUMWQHHRSA-N 1 0 383.452 0.541 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000423318379 1194747237 /nfs/dbraw/zinc/74/72/37/1194747237.db2.gz BQKTUAYTMZQRLJ-MOPGFXCFSA-N 1 0 383.496 0.810 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C[C@@H]1C[NH3+] ZINC000423321301 1194747580 /nfs/dbraw/zinc/74/75/80/1194747580.db2.gz FKSARVYENCYELN-NZSAHSFTSA-N 1 0 383.496 0.666 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000423324008 1194749265 /nfs/dbraw/zinc/74/92/65/1194749265.db2.gz HTJSWDPXWRKACC-LJQANCHMSA-N 1 0 383.496 0.681 20 30 GCEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423451151 1194756108 /nfs/dbraw/zinc/75/61/08/1194756108.db2.gz IBUHGZLJPSPGFF-HNNXBMFYSA-N 1 0 376.457 0.150 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000423494804 1194760615 /nfs/dbraw/zinc/76/06/15/1194760615.db2.gz BAQZJZBYDXNZHT-AWEZNQCLSA-N 1 0 375.860 0.667 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423533090 1194761911 /nfs/dbraw/zinc/76/19/11/1194761911.db2.gz WRNSNDHVMZBLRZ-AQNXPRMDSA-N 1 0 395.507 0.791 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@]12C(=O)Nc1ccccc12 ZINC000423557050 1194763281 /nfs/dbraw/zinc/76/32/81/1194763281.db2.gz HNXAWOMZYGGHCC-HFZMZTSTSA-N 1 0 393.447 0.211 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@H](C)[NH2+]1 ZINC000423555722 1194766374 /nfs/dbraw/zinc/76/63/74/1194766374.db2.gz GGNWTQABLOVYOS-PCRRDVQSSA-N 1 0 381.436 0.067 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000423569820 1194768277 /nfs/dbraw/zinc/76/82/77/1194768277.db2.gz TZMJHSVVZCCLMK-IAGOWNOFSA-N 1 0 382.464 0.996 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)Cc2ncc[nH]2)C[C@H]1OCC ZINC000983227564 1194774386 /nfs/dbraw/zinc/77/43/86/1194774386.db2.gz NTVGBDWBEZCFAQ-LVQVYYBASA-N 1 0 376.457 0.523 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC(C[NH3+])CC3)CC2)c1C#N ZINC000423643645 1194777223 /nfs/dbraw/zinc/77/72/23/1194777223.db2.gz MLWYGNKFMXZQRF-UHFFFAOYSA-N 1 0 376.486 0.169 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)c1C#N ZINC000423644572 1194777436 /nfs/dbraw/zinc/77/74/36/1194777436.db2.gz ZXTDLABZVVXFRF-GOSISDBHSA-N 1 0 388.497 0.184 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CC[NH2+]C1 ZINC000423663589 1194781203 /nfs/dbraw/zinc/78/12/03/1194781203.db2.gz OLRNEXAYUANELG-INIZCTEOSA-N 1 0 387.459 0.946 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000423662467 1194781220 /nfs/dbraw/zinc/78/12/20/1194781220.db2.gz BOTVWOJUGHAWRY-WDSOQIARSA-N 1 0 383.496 0.951 20 30 GCEDRO CCCN(C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[C@H]1CC[NH2+]C1 ZINC000423670830 1194782585 /nfs/dbraw/zinc/78/25/85/1194782585.db2.gz ZTZBEQWQQYDUDU-VFCRVFHLSA-N 1 0 395.463 0.459 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423675117 1194784126 /nfs/dbraw/zinc/78/41/26/1194784126.db2.gz BEQVMOKKGPRMCV-NFYPIIHDSA-N 1 0 395.463 0.587 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@@H](C[NH3+])C1 ZINC000423674267 1194784440 /nfs/dbraw/zinc/78/44/40/1194784440.db2.gz PILQGRLGTKNBDK-SJORKVTESA-N 1 0 385.468 0.172 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C1CC[NH2+]CC1 ZINC000423702834 1194786242 /nfs/dbraw/zinc/78/62/42/1194786242.db2.gz YZCCMOGGCNZOLQ-UHFFFAOYSA-N 1 0 384.484 0.592 20 30 GCEDRO CN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000423713410 1194787877 /nfs/dbraw/zinc/78/78/77/1194787877.db2.gz VNYQIXSYUWQIPD-OAHLLOKOSA-N 1 0 387.459 0.946 20 30 GCEDRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424081222 1194801343 /nfs/dbraw/zinc/80/13/43/1194801343.db2.gz UUEILZAGRNGMSE-QGZVFWFLSA-N 1 0 392.481 0.743 20 30 GCEDRO N#C[C@H]1CC[C@@H](NC(=O)C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000424449681 1194812809 /nfs/dbraw/zinc/81/28/09/1194812809.db2.gz TVYMOIPQFNKRJQ-JKSUJKDBSA-N 1 0 385.468 0.718 20 30 GCEDRO CC(C)Oc1ccc(NC(=O)C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1C#N ZINC000424450374 1194813042 /nfs/dbraw/zinc/81/30/42/1194813042.db2.gz WZBSXTOOQGVBHV-DLBZAZTESA-N 1 0 396.451 0.971 20 30 GCEDRO Cn1cc([C@@H]2CN(C(=O)C(=O)N(Cc3ccc(C#N)cc3)C3CC3)C[C@H]2[NH3+])cn1 ZINC000424490751 1194816764 /nfs/dbraw/zinc/81/67/64/1194816764.db2.gz ALCQIACMPYKJPI-RBUKOAKNSA-N 1 0 392.463 0.736 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000424544398 1194822999 /nfs/dbraw/zinc/82/29/99/1194822999.db2.gz KQONQOAEKFPAFN-KANFNMMFSA-N 1 0 387.480 0.964 20 30 GCEDRO C#CCN(CC#N)C(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000282117103 1194877020 /nfs/dbraw/zinc/87/70/20/1194877020.db2.gz XNJGTWWIESDSCK-UHFFFAOYSA-N 1 0 376.482 0.824 20 30 GCEDRO C[C@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)cn2)C[C@H](C)O1 ZINC001269883896 1194879473 /nfs/dbraw/zinc/87/94/73/1194879473.db2.gz XFRIIVAGSDPHPQ-BYNSBNAKSA-N 1 0 380.514 0.918 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2cc(C#N)cc(N(C)C)c2)CC1=O ZINC000425312881 1194907132 /nfs/dbraw/zinc/90/71/32/1194907132.db2.gz HOCQFJPLNWQZGC-KRWDZBQOSA-N 1 0 387.484 0.533 20 30 GCEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@H](C)C#N)cc1 ZINC000514942316 1194931646 /nfs/dbraw/zinc/93/16/46/1194931646.db2.gz DATSEKGRTWAPIO-CHWSQXEVSA-N 1 0 380.470 0.767 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000515005546 1194936960 /nfs/dbraw/zinc/93/69/60/1194936960.db2.gz VAUQZDLBRMKPPQ-MRXNPFEDSA-N 1 0 380.452 0.926 20 30 GCEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000435651538 1194952484 /nfs/dbraw/zinc/95/24/84/1194952484.db2.gz UWJHLXIFRXIAHS-LBPRGKRZSA-N 1 0 375.404 0.339 20 30 GCEDRO [NH2+]=C(NCCCN1CCOCC1)NCc1ccncc1OC[C@H]1CCOC1 ZINC000287348324 1195026402 /nfs/dbraw/zinc/02/64/02/1195026402.db2.gz XHYRFORQBRCLKN-INIZCTEOSA-N 1 0 377.489 0.624 20 30 GCEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000516180444 1195030501 /nfs/dbraw/zinc/03/05/01/1195030501.db2.gz UQXPURIHGOPPRV-WMZOPIPTSA-N 1 0 393.447 0.891 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)n2)c(F)c1 ZINC000516195033 1195030690 /nfs/dbraw/zinc/03/06/90/1195030690.db2.gz IBFZQYXKTYDDCQ-OCCSQVGLSA-N 1 0 383.387 0.659 20 30 GCEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000516413664 1195049857 /nfs/dbraw/zinc/04/98/57/1195049857.db2.gz FRSQCSWHMBTCBG-MRXNPFEDSA-N 1 0 384.484 0.402 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000414898800 1195076458 /nfs/dbraw/zinc/07/64/58/1195076458.db2.gz UAPVFJZMNLQXRK-OAHLLOKOSA-N 1 0 381.502 0.518 20 30 GCEDRO CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cc2)c(=O)n1C1CC[NH+](C)CC1 ZINC000516831651 1195102413 /nfs/dbraw/zinc/10/24/13/1195102413.db2.gz LNOPVJRBEJXSOM-UHFFFAOYSA-N 1 0 396.516 0.734 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)ncc1C#N ZINC000517392441 1195177778 /nfs/dbraw/zinc/17/77/78/1195177778.db2.gz ZKJSUQWTJIEBEK-UHFFFAOYSA-N 1 0 393.451 0.663 20 30 GCEDRO CN(CC(=O)N(C)[C@H]1C[NH+]2CCC1CC2)S(=O)(=O)c1ccc(C#N)cc1 ZINC000517698431 1195208778 /nfs/dbraw/zinc/20/87/78/1195208778.db2.gz YLGQMXCCAZJVFY-KRWDZBQOSA-N 1 0 376.482 0.731 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1=O ZINC000517817979 1195220760 /nfs/dbraw/zinc/22/07/60/1195220760.db2.gz MLKYTPFEFSHRJQ-AWEZNQCLSA-N 1 0 376.388 0.521 20 30 GCEDRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NCC3(C#N)CC3)cc2)CC1 ZINC000517821107 1195221092 /nfs/dbraw/zinc/22/10/92/1195221092.db2.gz PJBGOYZELGLIPO-UHFFFAOYSA-N 1 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C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cc1 ZINC000519554733 1195439363 /nfs/dbraw/zinc/43/93/63/1195439363.db2.gz YQNGQRIFDBIZDC-ZDUSSCGKSA-N 1 0 392.481 0.863 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000520259354 1195610991 /nfs/dbraw/zinc/61/09/91/1195610991.db2.gz DCKCKQJYWLYXQA-ZWKOTPCHSA-N 1 0 386.496 0.521 20 30 GCEDRO C[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000550377838 1195648059 /nfs/dbraw/zinc/64/80/59/1195648059.db2.gz XHSWWHGIZLDTFK-MRXNPFEDSA-N 1 0 387.459 0.993 20 30 GCEDRO CC[N@H+](CCNC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1)C1CC1 ZINC000328683231 1195660213 /nfs/dbraw/zinc/66/02/13/1195660213.db2.gz DKHFTWTUMSWLOG-UHFFFAOYSA-N 1 0 399.517 0.996 20 30 GCEDRO CC[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000328754291 1195663753 /nfs/dbraw/zinc/66/37/53/1195663753.db2.gz SLHXLHIJEZCJIV-SJORKVTESA-N 1 0 382.505 0.582 20 30 GCEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000328821402 1195666976 /nfs/dbraw/zinc/66/69/76/1195666976.db2.gz OXRNEFSNUNYADP-OAHLLOKOSA-N 1 0 381.502 0.414 20 30 GCEDRO CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CCS(=O)(=O)C3)cn2)CC1 ZINC000328821401 1195667042 /nfs/dbraw/zinc/66/70/42/1195667042.db2.gz OXRNEFSNUNYADP-HNNXBMFYSA-N 1 0 381.502 0.414 20 30 GCEDRO CCS(=O)(=O)N1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000328797481 1195668335 /nfs/dbraw/zinc/66/83/35/1195668335.db2.gz FFIYYICMDQIKGC-OAHLLOKOSA-N 1 0 388.534 0.369 20 30 GCEDRO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000328839209 1195669688 /nfs/dbraw/zinc/66/96/88/1195669688.db2.gz YOORGYQUKHSTEB-INIZCTEOSA-N 1 0 388.534 0.226 20 30 GCEDRO O=C(CN1CCC[C@@H]1C[NH+]1CCCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000328879770 1195674184 /nfs/dbraw/zinc/67/41/84/1195674184.db2.gz LPEHGTHYAZDNJU-LSDHHAIUSA-N 1 0 386.518 0.994 20 30 GCEDRO CNC(=O)[C@H]1CCCN1C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000330443644 1195691153 /nfs/dbraw/zinc/69/11/53/1195691153.db2.gz 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20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)CNS(=O)(=O)c2ccc(C#N)cc2)CCSC1 ZINC000290401463 530364665 /nfs/dbraw/zinc/36/46/65/530364665.db2.gz OSKULBZAOFUAQI-INIZCTEOSA-N 1 0 382.511 0.390 20 30 GCEDRO CC(C)NS(=O)(=O)NCCNC(=[NH2+])NCc1cccc(C(F)(F)F)c1 ZINC000277467985 530332593 /nfs/dbraw/zinc/33/25/93/530332593.db2.gz SJWQZPISTRBRMZ-UHFFFAOYSA-N 1 0 381.424 0.942 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)C[C@@H](C)C#N)c(C)c[nH+]1 ZINC000582072954 530376264 /nfs/dbraw/zinc/37/62/64/530376264.db2.gz NYYPPQYWOGQIOQ-LBPRGKRZSA-N 1 0 388.515 0.673 20 30 GCEDRO CC[N@H+](CCO)CCNS(=O)(=O)c1cc(Br)cc(C#N)c1 ZINC000184343434 530499154 /nfs/dbraw/zinc/49/91/54/530499154.db2.gz OUOAQYJIFWXCSN-UHFFFAOYSA-N 1 0 376.276 0.913 20 30 GCEDRO CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccc(C#N)cc2)C[C@@H]1[NH+](C)C ZINC000291498361 530492847 /nfs/dbraw/zinc/49/28/47/530492847.db2.gz RVDDXSZGVTVLLT-LSDHHAIUSA-N 1 0 382.511 0.341 20 30 GCEDRO C[NH+](C)[C@@]1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000328691315 530517574 /nfs/dbraw/zinc/51/75/74/530517574.db2.gz REXCMPMTMPWDSX-OAHLLOKOSA-N 1 0 378.564 0.599 20 30 GCEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(NS(=O)(=O)NC)CC1 ZINC000331337501 530546402 /nfs/dbraw/zinc/54/64/02/530546402.db2.gz JESGITFXKAXGLR-OAHLLOKOSA-N 1 0 375.539 0.683 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000331358839 530548139 /nfs/dbraw/zinc/54/81/39/530548139.db2.gz VRQNSBZTZIJQEA-UHFFFAOYSA-N 1 0 375.539 0.541 20 30 GCEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000563425577 530526100 /nfs/dbraw/zinc/52/61/00/530526100.db2.gz XQELEANOJZUJKS-UHFFFAOYSA-N 1 0 386.499 0.205 20 30 GCEDRO CN(CC#N)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000566488181 530530672 /nfs/dbraw/zinc/53/06/72/530530672.db2.gz NJAWJCZKEPTLAR-ZDUSSCGKSA-N 1 0 386.499 0.061 20 30 GCEDRO C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(CS(N)(=O)=O)CC2)C[C@H](C)O1 ZINC000331269944 530542631 /nfs/dbraw/zinc/54/26/31/530542631.db2.gz AFJQQDHZAPMBEC-OKILXGFUSA-N 1 0 376.523 0.400 20 30 GCEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)NCCOCCS(N)(=O)=O)C(C)C ZINC000297029201 530569103 /nfs/dbraw/zinc/56/91/03/530569103.db2.gz ITQSGMLDTWFYQF-HNNXBMFYSA-N 1 0 376.523 0.289 20 30 GCEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1C[C@H](C)O ZINC000329562478 530615114 /nfs/dbraw/zinc/61/51/14/530615114.db2.gz NEDNVMXNQCASHN-RRFJBIMHSA-N 1 0 376.523 0.101 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000575935446 530603771 /nfs/dbraw/zinc/60/37/71/530603771.db2.gz UBHHVAXUQGAGAN-QWHCGFSZSA-N 1 0 388.515 0.448 20 30 GCEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329323913 530610426 /nfs/dbraw/zinc/61/04/26/530610426.db2.gz HTIHWEWRVHZPJR-AWEZNQCLSA-N 1 0 378.564 0.553 20 30 GCEDRO CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329975096 530623391 /nfs/dbraw/zinc/62/33/91/530623391.db2.gz ZNUFCHUABWIZRD-OAHLLOKOSA-N 1 0 378.564 0.694 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CCSC1 ZINC000330057593 530624988 /nfs/dbraw/zinc/62/49/88/530624988.db2.gz XSXSSMCLDVNYCT-WWGRRREGSA-N 1 0 389.543 0.416 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CCSC1 ZINC000330138890 530627268 /nfs/dbraw/zinc/62/72/68/530627268.db2.gz IOCXDOPDOKXFOD-HIFRSBDPSA-N 1 0 378.564 0.599 20 30 GCEDRO CN(C1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1)S(C)(=O)=O ZINC000330145756 530627477 /nfs/dbraw/zinc/62/74/77/530627477.db2.gz LFGKBSLYZONEQP-OAHLLOKOSA-N 1 0 378.564 0.694 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000349463936 530640627 /nfs/dbraw/zinc/64/06/27/530640627.db2.gz CACGKFVVMFHIGR-ZNMIVQPWSA-N 1 0 392.547 0.096 20 30 GCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000329864630 530622065 /nfs/dbraw/zinc/62/20/65/530622065.db2.gz ZUCPQBWEYYEFGO-AWEZNQCLSA-N 1 0 378.564 0.551 20 30 GCEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477654 530647324 /nfs/dbraw/zinc/64/73/24/530647324.db2.gz JBFYWDZJXAHOIL-CABCVRRESA-N 1 0 392.547 0.050 20 30 GCEDRO CC[C@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)C#N ZINC000349476581 530647350 /nfs/dbraw/zinc/64/73/50/530647350.db2.gz HNHJOKHCVFTDCV-CABCVRRESA-N 1 0 394.563 0.296 20 30 GCEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349477656 530647616 /nfs/dbraw/zinc/64/76/16/530647616.db2.gz JBFYWDZJXAHOIL-HUUCEWRRSA-N 1 0 392.547 0.050 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N[C@@H]2CC[C@H](C#N)C2)cc[nH+]1 ZINC000349576731 530701799 /nfs/dbraw/zinc/70/17/99/530701799.db2.gz SIEWWIAWXMOSRW-UONOGXRCSA-N 1 0 386.499 0.555 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000591299456 530710434 /nfs/dbraw/zinc/71/04/34/530710434.db2.gz JEYJUKONHZXHLM-ZANVPECISA-N 1 0 381.230 0.834 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000579025101 530738012 /nfs/dbraw/zinc/73/80/12/530738012.db2.gz XEMYPRBILFRYHL-OLZOCXBDSA-N 1 0 388.515 0.353 20 30 GCEDRO C[NH2+]CCSCC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000592177433 530758611 /nfs/dbraw/zinc/75/86/11/530758611.db2.gz RGWZCCHFIHORIS-UHFFFAOYSA-N 1 0 382.511 0.344 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1c(F)cc(C#N)cc1F ZINC000443296981 530896251 /nfs/dbraw/zinc/89/62/51/530896251.db2.gz QZJHOFXJJFVQDY-UHFFFAOYSA-N 1 0 377.413 0.398 20 30 GCEDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(Br)c(C#N)c2)C1 ZINC000556066171 530930262 /nfs/dbraw/zinc/93/02/62/530930262.db2.gz YOMAVOUOIOIHSO-HNNXBMFYSA-N 1 0 381.230 0.442 20 30 GCEDRO C[NH+](C)CCCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(C#N)c1 ZINC000499111370 530941713 /nfs/dbraw/zinc/94/17/13/530941713.db2.gz UKBBHLVOKXKNNZ-OAHLLOKOSA-N 1 0 385.511 0.688 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc(C#N)cc1Cl ZINC000503501112 530949759 /nfs/dbraw/zinc/94/97/59/530949759.db2.gz CWFNJUYINJQQJS-UHFFFAOYSA-N 1 0 375.878 0.773 20 30 GCEDRO Nc1c(-c2nn[nH]n2)c(CCCNC2=[NH+]CCCN2)nn1-c1ccc(F)cc1 ZINC000737769124 598537898 /nfs/dbraw/zinc/53/78/98/598537898.db2.gz FNOUATMRSSZTRA-UHFFFAOYSA-N 1 0 384.423 0.645 20 30 GCEDRO C=CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000735420704 598731709 /nfs/dbraw/zinc/73/17/09/598731709.db2.gz QOSCESPIOYGESU-KRWDZBQOSA-N 1 0 384.488 0.810 20 30 GCEDRO C#CCCN1CCN(c2ncnc(N3CCN(CCC#C)CC3)c2C(=O)[O-])CC1 ZINC000833365548 605035728 /nfs/dbraw/zinc/03/57/28/605035728.db2.gz TYISOFGRKJQPAM-UHFFFAOYSA-N 1 0 396.495 0.465 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)Nc1sccc1C#N ZINC000821600652 606702423 /nfs/dbraw/zinc/70/24/23/606702423.db2.gz WXZZASBKXBTEAJ-UHFFFAOYSA-N 1 0 386.445 0.608 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](Cc2cccc(C(=O)OC)c2-c2nn[nH]n2)CC1 ZINC000823850337 607922169 /nfs/dbraw/zinc/92/21/69/607922169.db2.gz NURITRCRTJDFQO-UHFFFAOYSA-N 1 0 382.424 0.615 20 30 GCEDRO CS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)s1 ZINC000262348420 638560348 /nfs/dbraw/zinc/56/03/48/638560348.db2.gz DRBXUBPTIBGZDJ-UHFFFAOYSA-N 1 0 380.499 0.579 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261709347 638664511 /nfs/dbraw/zinc/66/45/11/638664511.db2.gz JVZCGSPEZYGTEC-CHWSQXEVSA-N 1 0 378.564 0.344 20 30 GCEDRO CC[S@](=O)[C@@H]1CCC[C@H](NC(NC[C@@H]2CCN(S(C)(=O)=O)C2)=[NH+]C)C1 ZINC000261862927 638688481 /nfs/dbraw/zinc/68/84/81/638688481.db2.gz YSSIYMPYXCWKQH-RTEZQTFGSA-N 1 0 392.591 0.513 20 30 GCEDRO C[NH+]=C(NCC(=O)Nc1cc(Br)ccc1C)NCC(=O)N(C)C ZINC000262270891 639051460 /nfs/dbraw/zinc/05/14/60/639051460.db2.gz USEOHXKZXUHPKB-UHFFFAOYSA-N 1 0 384.278 0.949 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000913517908 639581286 /nfs/dbraw/zinc/58/12/86/639581286.db2.gz VDYRKGSTFDGTLF-UHFFFAOYSA-N 1 0 387.552 0.780 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)Cn1cnc2ccc(Br)cc2c1=O ZINC000913516739 639581555 /nfs/dbraw/zinc/58/15/55/639581555.db2.gz CUOGIDWEROGXBT-UHFFFAOYSA-N 1 0 377.242 0.840 20 30 GCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000876550921 641566591 /nfs/dbraw/zinc/56/65/91/641566591.db2.gz HOAYGQQKGBQEFH-OAHLLOKOSA-N 1 0 387.889 0.998 20 30 GCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000876601571 641567716 /nfs/dbraw/zinc/56/77/16/641567716.db2.gz AWAJYRDPLGCQLD-ZDUSSCGKSA-N 1 0 382.873 0.750 20 30 GCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000876752901 641569530 /nfs/dbraw/zinc/56/95/30/641569530.db2.gz CQHMEFBFPXNGMZ-ZDUSSCGKSA-N 1 0 386.905 0.713 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H]2C[NH2+]CCC2(F)F)s1 ZINC000876865716 641571873 /nfs/dbraw/zinc/57/18/73/641571873.db2.gz GCZQTOPHIYBFAC-LLVKDONJSA-N 1 0 379.454 0.868 20 30 GCEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000128051595 641621087 /nfs/dbraw/zinc/62/10/87/641621087.db2.gz KSZNBJZSNCSBLD-LBPRGKRZSA-N 1 0 385.456 0.166 20 30 GCEDRO C=C(Br)CNC(=O)C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000804261664 641632631 /nfs/dbraw/zinc/63/26/31/641632631.db2.gz SMVSILPPLHPECC-LBPRGKRZSA-N 1 0 389.294 0.070 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381.498 0.848 20 30 GCEDRO Cc1nnc(N2CCO[C@H](C#N)C2)n1CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC001707916639 1186275120 /nfs/dbraw/zinc/27/51/20/1186275120.db2.gz KWUDRJVGDUJTLS-CVEARBPZSA-N 1 0 375.477 0.258 20 30 GCEDRO Cn1c(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)c(C#N)c(=O)n(C)c1=O ZINC000277283635 1186317533 /nfs/dbraw/zinc/31/75/33/1186317533.db2.gz ZADDLMDTUPSQHV-INIZCTEOSA-N 1 0 383.452 0.659 20 30 GCEDRO COCC[N@H+](C)CCCNC(=O)N1CCN(c2c(C#N)c(C)nn2C)CC1 ZINC000472109587 1186357751 /nfs/dbraw/zinc/35/77/51/1186357751.db2.gz AZLSRTMRVDDDCC-UHFFFAOYSA-N 1 0 377.493 0.400 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000582072065 1186396942 /nfs/dbraw/zinc/39/69/42/1186396942.db2.gz LNQPMNIMYDZLPF-CWRNSKLLSA-N 1 0 376.482 0.920 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000892172774 1186398266 /nfs/dbraw/zinc/39/82/66/1186398266.db2.gz QFLHWUXAJYIEEN-UHFFFAOYSA-N 1 0 385.534 0.044 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001267096472 1186449046 /nfs/dbraw/zinc/44/90/46/1186449046.db2.gz QGZMDAXFOFRMMY-IGALEPNSSA-N 1 0 395.503 0.996 20 30 GCEDRO C=CCCn1cc(C[NH2+]C2CCN(S(=O)(=O)c3cnn(C)c3)CC2)nn1 ZINC000657374085 1186473881 /nfs/dbraw/zinc/47/38/81/1186473881.db2.gz IMSYMMUXSFTDCW-UHFFFAOYSA-N 1 0 379.490 0.531 20 30 GCEDRO CC[NH+]=C(NC[C@@](C)(O)c1ccco1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000075047647 1186476181 /nfs/dbraw/zinc/47/61/81/1186476181.db2.gz GGFKKDFXYQYMPF-DNVCBOLYSA-N 1 0 378.473 0.776 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000892237793 1186483279 /nfs/dbraw/zinc/48/32/79/1186483279.db2.gz QGLNFECLGHYQOZ-SJLPKXTDSA-N 1 0 399.561 0.292 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000158293393 1186487534 /nfs/dbraw/zinc/48/75/34/1186487534.db2.gz LXMYYQNFXRGYKU-UKRRQHHQSA-N 1 0 376.482 0.826 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000158293255 1186529605 /nfs/dbraw/zinc/52/96/05/1186529605.db2.gz LXMYYQNFXRGYKU-DZGCQCFKSA-N 1 0 376.482 0.826 20 30 GCEDRO CC(C)NC(=O)c1nnc(N2CCO[C@H](C#N)C2)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001708084786 1186537314 /nfs/dbraw/zinc/53/73/14/1186537314.db2.gz FOYKLKBEQYDJOE-HZPDHXFCSA-N 1 0 389.504 0.877 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000277637086 1186548851 /nfs/dbraw/zinc/54/88/51/1186548851.db2.gz RSVYRFNRSGZHOQ-INIZCTEOSA-N 1 0 393.509 0.829 20 30 GCEDRO C=CCn1cc(C(=O)N2C[C@H]3CCN(C(=O)[C@H]4CC[N@H+](C)[C@@H]4CC)C[C@H]32)nn1 ZINC000972222229 1186552082 /nfs/dbraw/zinc/55/20/82/1186552082.db2.gz NYIYUUZRDTZUOA-CYGHRXIMSA-N 1 0 386.500 0.867 20 30 GCEDRO CC[NH+]=C(NC[C@H](C)N1CCOCC1)N1CCN(C(=O)c2ccco2)CC1 ZINC000114004238 1186572887 /nfs/dbraw/zinc/57/28/87/1186572887.db2.gz WGCAXWIGLVLULT-INIZCTEOSA-N 1 0 377.489 0.724 20 30 GCEDRO 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N#Cc1ccc(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000584469590 1189688964 /nfs/dbraw/zinc/68/89/64/1189688964.db2.gz MITFKHPSLTVWCQ-GDBMZVCRSA-N 1 0 394.472 0.966 20 30 GCEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000330242427 1189722976 /nfs/dbraw/zinc/72/29/76/1189722976.db2.gz CDUSDKDZQOGANP-UYAOXDASSA-N 1 0 376.501 0.800 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)NCCN2CC[NH2+]CC2)CC1 ZINC000418305506 1189755319 /nfs/dbraw/zinc/75/53/19/1189755319.db2.gz OJZHSFNLBNDXFU-UHFFFAOYSA-N 1 0 399.455 0.543 20 30 GCEDRO C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000909330477 1189807404 /nfs/dbraw/zinc/80/74/04/1189807404.db2.gz DPWBLJILSJACOI-AWEZNQCLSA-N 1 0 386.460 0.647 20 30 GCEDRO C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000909330460 1189807528 /nfs/dbraw/zinc/80/75/28/1189807528.db2.gz HYZUKPKEPTWGJX-UHFFFAOYSA-N 1 0 386.460 0.649 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[N@@H+]2CCO[C@H](C)C2)c1 ZINC000893390677 1189871398 /nfs/dbraw/zinc/87/13/98/1189871398.db2.gz TTYOUPMCVFWKDC-OAHLLOKOSA-N 1 0 380.466 0.866 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(CC(=O)NC2CC2)CC1 ZINC000261705104 1193730586 /nfs/dbraw/zinc/73/05/86/1193730586.db2.gz UMLLFDAOFVSXFR-CGTJXYLNSA-N 1 0 375.517 0.416 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000549875001 1193746222 /nfs/dbraw/zinc/74/62/22/1193746222.db2.gz ZOYKHHYQYQFHQD-UHFFFAOYSA-N 1 0 389.504 0.680 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC000664016922 1193756083 /nfs/dbraw/zinc/75/60/83/1193756083.db2.gz SRMDQGPRUGIUCS-UHFFFAOYSA-N 1 0 396.517 0.466 20 30 GCEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261730186 1193813303 /nfs/dbraw/zinc/81/33/03/1193813303.db2.gz LNUIUEWZGIPFHI-MRXNPFEDSA-N 1 0 375.521 0.734 20 30 GCEDRO CC[NH+]=C(NCc1ccc(OC)nc1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261736106 1193837629 /nfs/dbraw/zinc/83/76/29/1193837629.db2.gz KBPRLLIIPAMILG-IBGZPJMESA-N 1 0 388.472 0.866 20 30 GCEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261740593 1193841150 /nfs/dbraw/zinc/84/11/50/1193841150.db2.gz KRBLYZCFWFLAKW-LJQANCHMSA-N 1 0 388.472 0.866 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000894157409 1193846415 /nfs/dbraw/zinc/84/64/15/1193846415.db2.gz XXLMYUBWUUYPIB-INIZCTEOSA-N 1 0 385.534 0.046 20 30 GCEDRO CCNC(=O)C(C)(C)CNC(=[NH+]C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261742332 1193846559 /nfs/dbraw/zinc/84/65/59/1193846559.db2.gz KUSDYDIVMFNQKR-SFHVURJKSA-N 1 0 380.493 0.034 20 30 GCEDRO CCc1nn(C)c(CC)c1CNC(=[NH+]C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261686070 1193923064 /nfs/dbraw/zinc/92/30/64/1193923064.db2.gz IAKJXDBZCXOAEB-UHFFFAOYSA-N 1 0 386.504 0.703 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261681378 1193923171 /nfs/dbraw/zinc/92/31/71/1193923171.db2.gz DDTCNZQBEMQORC-NVXWUHKLSA-N 1 0 386.504 0.921 20 30 GCEDRO C[NH+]=C(NCCc1ccncc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261742470 1193924255 /nfs/dbraw/zinc/92/42/55/1193924255.db2.gz KXFLSROFBRWGIV-UHFFFAOYSA-N 1 0 392.485 0.335 20 30 GCEDRO C[NH+]=C(NCc1ccc(O)cc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261751075 1193924926 /nfs/dbraw/zinc/92/49/26/1193924926.db2.gz LWVYRZYGGDOCHH-UHFFFAOYSA-N 1 0 393.469 0.603 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261936558 1193932509 /nfs/dbraw/zinc/93/25/09/1193932509.db2.gz CNTYQWKKYCIUQR-GJZGRUSLSA-N 1 0 381.502 0.392 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CC[C@H](c3cnn(C)c3)C2)n1C ZINC000261936703 1193932635 /nfs/dbraw/zinc/93/26/35/1193932635.db2.gz CRHHIEACYDQACR-RDJZCZTQSA-N 1 0 386.504 0.971 20 30 GCEDRO C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261949371 1193932873 /nfs/dbraw/zinc/93/28/73/1193932873.db2.gz GWQJEFHCUONADS-UHFFFAOYSA-N 1 0 395.529 0.503 20 30 GCEDRO CC[NH+]=C(NCc1c[nH]nc1C)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261970613 1193933698 /nfs/dbraw/zinc/93/36/98/1193933698.db2.gz MQABKRBZULJFFS-INIZCTEOSA-N 1 0 375.521 0.812 20 30 GCEDRO C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000261970598 1193933867 /nfs/dbraw/zinc/93/38/67/1193933867.db2.gz MPCOTHGPWLMNGL-AEFFLSMTSA-N 1 0 375.521 0.506 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000262005424 1193935402 /nfs/dbraw/zinc/93/54/02/1193935402.db2.gz VNULEUCUALZZSF-OAHLLOKOSA-N 1 0 397.483 0.494 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262012711 1193936020 /nfs/dbraw/zinc/93/60/20/1193936020.db2.gz XASCCRRFXOMQBF-IEBWSBKVSA-N 1 0 389.548 0.896 20 30 GCEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000262121621 1193939759 /nfs/dbraw/zinc/93/97/59/1193939759.db2.gz JTXNESZZTNLJLR-UHFFFAOYSA-N 1 0 388.497 0.907 20 30 GCEDRO C=C(C)C[NH+]=C(NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000262352676 1193945860 /nfs/dbraw/zinc/94/58/60/1193945860.db2.gz ZCZGJTGTAIMFCS-HNNXBMFYSA-N 1 0 399.503 0.245 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262462462 1193948755 /nfs/dbraw/zinc/94/87/55/1193948755.db2.gz MTCTVPNAWLYZJY-KRWDZBQOSA-N 1 0 375.521 0.339 20 30 GCEDRO [NH2+]=C(NC[C@H](N1CCOCC1)C(F)(F)F)N1CCN(c2ncccn2)CC1 ZINC000262479852 1193948894 /nfs/dbraw/zinc/94/88/94/1193948894.db2.gz CVPSWGFVJYEFTG-ZDUSSCGKSA-N 1 0 387.410 0.176 20 30 GCEDRO C=CCNC(=[NH+]C[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262471637 1193949027 /nfs/dbraw/zinc/94/90/27/1193949027.db2.gz ZDNPCACLHAESDU-CQSZACIVSA-N 1 0 396.492 0.304 20 30 GCEDRO [NH2+]=C(NCCC(=O)N[C@@H]1CCS(=O)(=O)C1)Nc1cccc2c1CCCC2 ZINC000262480844 1193949317 /nfs/dbraw/zinc/94/93/17/1193949317.db2.gz RMURSPLFUUJSBS-CQSZACIVSA-N 1 0 378.498 0.985 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)c1 ZINC000262507687 1193949649 /nfs/dbraw/zinc/94/96/49/1193949649.db2.gz AOONLQALXBRCRU-SFHVURJKSA-N 1 0 397.479 0.505 20 30 GCEDRO C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)NC[C@H]1CN(C)CCO1 ZINC000262507623 1193949720 /nfs/dbraw/zinc/94/97/20/1193949720.db2.gz LNHGTLSOANIRSL-KRWDZBQOSA-N 1 0 379.480 0.658 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262532893 1193950606 /nfs/dbraw/zinc/95/06/06/1193950606.db2.gz ISMGQNGROXPZKV-UHFFFAOYSA-N 1 0 393.495 0.759 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262581395 1193951889 /nfs/dbraw/zinc/95/18/89/1193951889.db2.gz QWNHQIHOHNLMDR-QGZVFWFLSA-N 1 0 397.483 0.666 20 30 GCEDRO O=S1(=O)CC[C@H](CNC(=[NH+]C2CC2)N2CCN(c3ccccn3)CC2)C1 ZINC000262604507 1193952307 /nfs/dbraw/zinc/95/23/07/1193952307.db2.gz ZMEMHTNQOPLTIS-OAHLLOKOSA-N 1 0 377.514 0.746 20 30 GCEDRO CCO[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982836273 1193952561 /nfs/dbraw/zinc/95/25/61/1193952561.db2.gz SNLDNZHQJHUQET-GZOSKZMVSA-N 1 0 387.484 0.820 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C(C)(C)C[NH+](C)C ZINC000513493253 1193956200 /nfs/dbraw/zinc/95/62/00/1193956200.db2.gz RNBRCDBFPUTUOC-HNNXBMFYSA-N 1 0 386.500 0.694 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262814319 1193956585 /nfs/dbraw/zinc/95/65/85/1193956585.db2.gz VGEUNQUBHLCLLQ-JKSUJKDBSA-N 1 0 383.504 0.773 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262828727 1193956752 /nfs/dbraw/zinc/95/67/52/1193956752.db2.gz QZQRUZDTJKAFQY-UHFFFAOYSA-N 1 0 399.451 0.748 20 30 GCEDRO C=C(C)COCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419400675 1194019348 /nfs/dbraw/zinc/01/93/48/1194019348.db2.gz LUYMTJGVCUOCRK-MSOLQXFVSA-N 1 0 375.469 0.966 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)CC2)nc1 ZINC000419618266 1194070106 /nfs/dbraw/zinc/07/01/06/1194070106.db2.gz WRUVSNCLULMQLQ-VVLHZNOGSA-N 1 0 397.479 0.955 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419618176 1194070163 /nfs/dbraw/zinc/07/01/63/1194070163.db2.gz WJXOCUDWORBKRK-MFNRNEDNSA-N 1 0 385.468 0.874 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)[C@@H](C)C[NH2+]1 ZINC000419613609 1194073320 /nfs/dbraw/zinc/07/33/20/1194073320.db2.gz LAZSZSGZSHLPMX-JCAIJIATSA-N 1 0 385.468 0.968 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)nc1 ZINC000419614535 1194073488 /nfs/dbraw/zinc/07/34/88/1194073488.db2.gz NIHCMRWSBUZWHS-KNXWPPODSA-N 1 0 397.479 0.827 20 30 GCEDRO [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C(=O)NCC#Cc1cccc(F)c1 ZINC000419671898 1194079257 /nfs/dbraw/zinc/07/92/57/1194079257.db2.gz GUVWSQRVXGHTGR-QGZVFWFLSA-N 1 0 388.443 0.140 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000419732376 1194090098 /nfs/dbraw/zinc/09/00/98/1194090098.db2.gz PFQWFHNXCDIFQM-FHZKDXSVSA-N 1 0 397.479 0.955 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C[NH2+]1 ZINC000419715063 1194091140 /nfs/dbraw/zinc/09/11/40/1194091140.db2.gz AAPMIKHWYRWIRM-VBJONLRCSA-N 1 0 385.468 0.968 20 30 GCEDRO N#Cc1cccc(CCNC(=O)C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000419715882 1194091708 /nfs/dbraw/zinc/09/17/08/1194091708.db2.gz ZYWANEQHTCZDOB-KRWDZBQOSA-N 1 0 385.468 0.063 20 30 GCEDRO CC[NH+]=C(NCc1cccnc1OC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261811535 1194102930 /nfs/dbraw/zinc/10/29/30/1194102930.db2.gz SPAQFZHEMCIHSQ-LJQANCHMSA-N 1 0 388.472 0.866 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@]12c1ccccc1NC2=O ZINC000419812178 1194112435 /nfs/dbraw/zinc/11/24/35/1194112435.db2.gz YUROWAHZVBQVGB-SPLOXXLWSA-N 1 0 395.463 0.636 20 30 GCEDRO N#Cc1ccccc1CSCCNC(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419842641 1194119358 /nfs/dbraw/zinc/11/93/58/1194119358.db2.gz BVQKFAKVUYXRFX-UHFFFAOYSA-N 1 0 389.525 0.319 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419897351 1194135743 /nfs/dbraw/zinc/13/57/43/1194135743.db2.gz VSZVIADTZZSTQM-CYBMUJFWSA-N 1 0 398.423 0.323 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@H]1CCC[NH2+]C1 ZINC000419899751 1194137007 /nfs/dbraw/zinc/13/70/07/1194137007.db2.gz SBFYMSCAMCWVHP-WDSOQIARSA-N 1 0 383.496 0.727 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CCC[NH2+]C1 ZINC000419899745 1194137064 /nfs/dbraw/zinc/13/70/64/1194137064.db2.gz SBFYMSCAMCWVHP-QXAKKESOSA-N 1 0 383.496 0.727 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000419905264 1194137486 /nfs/dbraw/zinc/13/74/86/1194137486.db2.gz VZDSDAZKWBYCGQ-GJZGRUSLSA-N 1 0 387.459 0.850 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000419920719 1194139096 /nfs/dbraw/zinc/13/90/96/1194139096.db2.gz XBVMEXYCWDOEFY-CQSZACIVSA-N 1 0 389.887 0.976 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419911559 1194142854 /nfs/dbraw/zinc/14/28/54/1194142854.db2.gz JTIDQCGFKNGVDY-GDBMZVCRSA-N 1 0 393.451 0.202 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419964766 1194148478 /nfs/dbraw/zinc/14/84/78/1194148478.db2.gz GEIPJZZBOLJEIM-IEBWSBKVSA-N 1 0 383.496 0.729 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969288 1194149702 /nfs/dbraw/zinc/14/97/02/1194149702.db2.gz RQFVXSXXIUXYCY-GOEBONIOSA-N 1 0 399.499 0.409 20 30 GCEDRO C[C@@H](CC[NH3+])NC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000419990353 1194153505 /nfs/dbraw/zinc/15/35/05/1194153505.db2.gz HNEPGPIYHBAETL-LBPRGKRZSA-N 1 0 386.412 0.308 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000420011899 1194161584 /nfs/dbraw/zinc/16/15/84/1194161584.db2.gz HIKUYAXLLVIBPY-KFWWJZLASA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000420012702 1194162244 /nfs/dbraw/zinc/16/22/44/1194162244.db2.gz JCCUOYSSBGMDIT-CXAGYDPISA-N 1 0 382.486 0.044 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000420037137 1194165404 /nfs/dbraw/zinc/16/54/04/1194165404.db2.gz LSKBHVSBIHKSDF-CGTJXYLNSA-N 1 0 399.495 0.452 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044471 1194167431 /nfs/dbraw/zinc/16/74/31/1194167431.db2.gz SZUMUHCNVWVLBJ-WBVHZDCISA-N 1 0 399.495 0.826 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420043350 1194167635 /nfs/dbraw/zinc/16/76/35/1194167635.db2.gz RTKUCMLGZLRNTK-ZBFHGGJFSA-N 1 0 385.468 0.436 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048359 1194168853 /nfs/dbraw/zinc/16/88/53/1194168853.db2.gz XDUISSSZGJWWJO-QAPCUYQASA-N 1 0 399.495 0.432 20 30 GCEDRO CC1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC[NH2+]CC1 ZINC000420085637 1194175014 /nfs/dbraw/zinc/17/50/14/1194175014.db2.gz NXURZOZSGGLNHV-SFHVURJKSA-N 1 0 383.496 0.729 20 30 GCEDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC[NH2+]C1 ZINC000420087684 1194175792 /nfs/dbraw/zinc/17/57/92/1194175792.db2.gz BLVAITZWTWKJKM-HXUWFJFHSA-N 1 0 387.459 0.852 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420110762 1194181412 /nfs/dbraw/zinc/18/14/12/1194181412.db2.gz FRGGSEHJVQOKOW-RDTXWAMCSA-N 1 0 397.479 0.850 20 30 GCEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000420137322 1194184722 /nfs/dbraw/zinc/18/47/22/1194184722.db2.gz DNZUDOBWCCWWRZ-AWEZNQCLSA-N 1 0 375.448 0.980 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCC3=CC[NH2+]CC3)CC2)cc1 ZINC000420136770 1194184827 /nfs/dbraw/zinc/18/48/27/1194184827.db2.gz JQNPSDDJWDMVFV-UHFFFAOYSA-N 1 0 381.480 0.628 20 30 GCEDRO CC[NH2+][C@H](C)CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420159061 1194191282 /nfs/dbraw/zinc/19/12/82/1194191282.db2.gz CTDACIKBIYDFEI-CQSZACIVSA-N 1 0 385.468 0.850 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2cccc(C#N)n2)CC1 ZINC000420162077 1194191779 /nfs/dbraw/zinc/19/17/79/1194191779.db2.gz CXPXTBLFHHPTLB-MRXNPFEDSA-N 1 0 384.484 0.496 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420145013 1194193379 /nfs/dbraw/zinc/19/33/79/1194193379.db2.gz MXGZMPBVNCLBHO-MNVSYLFESA-N 1 0 383.452 0.492 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000420205631 1194204842 /nfs/dbraw/zinc/20/48/42/1194204842.db2.gz NSEXHDYCWKCSIG-YESZJQIVSA-N 1 0 399.470 0.850 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000420205354 1194204896 /nfs/dbraw/zinc/20/48/96/1194204896.db2.gz IYTUCWSUKZHORD-VAMGGRTRSA-N 1 0 395.507 0.707 20 30 GCEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261820108 1194225629 /nfs/dbraw/zinc/22/56/29/1194225629.db2.gz UKTBXMSZLXLIBL-KRWDZBQOSA-N 1 0 397.545 0.784 20 30 GCEDRO C[NH+]=C(NCC1(SC)CCOCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261820925 1194227269 /nfs/dbraw/zinc/22/72/69/1194227269.db2.gz UKTBXMSZLXLIBL-QGZVFWFLSA-N 1 0 397.545 0.784 20 30 GCEDRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000982961563 1194227868 /nfs/dbraw/zinc/22/78/68/1194227868.db2.gz WDTLNSLYBVEYQB-GFOCRRMGSA-N 1 0 387.484 0.820 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CCO[C@@H](COC)C1 ZINC000261835725 1194297471 /nfs/dbraw/zinc/29/74/71/1194297471.db2.gz JJWTXIGUHHBNET-CYBMUJFWSA-N 1 0 398.476 0.173 20 30 GCEDRO CCOC(=O)c1c(NC(=O)NC[C@H]2C[N@H+](C)CCN2C)c(C#N)cn1CC ZINC000421163511 1194300488 /nfs/dbraw/zinc/30/04/88/1194300488.db2.gz IGZOUSPLTPLQQN-AWEZNQCLSA-N 1 0 376.461 0.924 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c(C#N)cn1CC ZINC000421211191 1194305756 /nfs/dbraw/zinc/30/57/56/1194305756.db2.gz IAPYEYOYCJZXTQ-CQSZACIVSA-N 1 0 389.456 0.951 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NC[C@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000983056089 1194350830 /nfs/dbraw/zinc/35/08/30/1194350830.db2.gz JSCRPOZENRTHOR-AZQPHWPRSA-N 1 0 385.508 0.720 20 30 GCEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@@H](CO)OC(C)(C)C1)C(C)C ZINC000421742877 1194362083 /nfs/dbraw/zinc/36/20/83/1194362083.db2.gz UBVGEUGMRYABAK-IRXDYDNUSA-N 1 0 381.517 0.800 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1 ZINC000502867454 1194364399 /nfs/dbraw/zinc/36/43/99/1194364399.db2.gz DSRZHSGMIXVBQH-PMPSAXMXSA-N 1 0 389.525 0.961 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]3CCC(=O)NC34CCC4)CC2)o1 ZINC000367112718 1194369361 /nfs/dbraw/zinc/36/93/61/1194369361.db2.gz FSTSUJWVGFERCY-HNNXBMFYSA-N 1 0 386.456 0.294 20 30 GCEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261853182 1194390894 /nfs/dbraw/zinc/39/08/94/1194390894.db2.gz YFYZGVQISUKQDH-SFHVURJKSA-N 1 0 375.477 0.422 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000422110966 1194391906 /nfs/dbraw/zinc/39/19/06/1194391906.db2.gz CQELMMRXADNYPV-INIZCTEOSA-N 1 0 387.459 0.899 20 30 GCEDRO CC[NH+]=C(NCCN1CCSCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261854782 1194424486 /nfs/dbraw/zinc/42/44/86/1194424486.db2.gz YLTKZTLWWRHVRP-SFHVURJKSA-N 1 0 396.561 0.311 20 30 GCEDRO CC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000422312439 1194617120 /nfs/dbraw/zinc/61/71/20/1194617120.db2.gz SHXOTCXAJFFBND-CVEARBPZSA-N 1 0 387.459 0.993 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000422388138 1194632348 /nfs/dbraw/zinc/63/23/48/1194632348.db2.gz LGRLCYUQGHVKRB-ZWKOTPCHSA-N 1 0 397.479 0.328 20 30 GCEDRO C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)C1 ZINC000422484632 1194655093 /nfs/dbraw/zinc/65/50/93/1194655093.db2.gz AVXQFWZZFWIDAQ-MRXNPFEDSA-N 1 0 384.484 0.450 20 30 GCEDRO CON1CCC(NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC1 ZINC000422635398 1194679207 /nfs/dbraw/zinc/67/92/07/1194679207.db2.gz SXLHBWPHOPYXNX-UHFFFAOYSA-N 1 0 399.495 0.735 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)cc1 ZINC000423011871 1194717292 /nfs/dbraw/zinc/71/72/92/1194717292.db2.gz JNTWWHQDVTZARP-ZCNNSNEGSA-N 1 0 395.507 0.788 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017956 1194717823 /nfs/dbraw/zinc/71/78/23/1194717823.db2.gz XOAIJTMWJQPYKV-VQIMIIECSA-N 1 0 383.496 0.788 20 30 GCEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423087241 1194726419 /nfs/dbraw/zinc/72/64/19/1194726419.db2.gz NKZFELBTYRTQPE-GOSISDBHSA-N 1 0 397.479 0.187 20 30 GCEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C1 ZINC000423124106 1194729292 /nfs/dbraw/zinc/72/92/92/1194729292.db2.gz LZVIOWVNQMAFOS-CYBMUJFWSA-N 1 0 398.423 0.275 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)CC1 ZINC000423148878 1194731343 /nfs/dbraw/zinc/73/13/43/1194731343.db2.gz WVMCDRYMRGPNLU-UHFFFAOYSA-N 1 0 399.470 0.948 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000423212543 1194737283 /nfs/dbraw/zinc/73/72/83/1194737283.db2.gz JUONJFNRHLFJQM-GDBMZVCRSA-N 1 0 387.459 0.932 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000423212544 1194737396 /nfs/dbraw/zinc/73/73/96/1194737396.db2.gz JUONJFNRHLFJQM-GOEBONIOSA-N 1 0 387.459 0.932 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)CC2)c(F)c1 ZINC000423216118 1194740673 /nfs/dbraw/zinc/74/06/73/1194740673.db2.gz PMUVFYBFKCBXLU-NVXWUHKLSA-N 1 0 385.443 0.556 20 30 GCEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C1 ZINC000423230347 1194742335 /nfs/dbraw/zinc/74/23/35/1194742335.db2.gz JBCJTDVHOFVTIG-SFHVURJKSA-N 1 0 397.479 0.946 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423317365 1194747215 /nfs/dbraw/zinc/74/72/15/1194747215.db2.gz ATQPUGSUQCNEHN-IPMKNSEASA-N 1 0 381.480 0.291 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000423345064 1194748828 /nfs/dbraw/zinc/74/88/28/1194748828.db2.gz XKXAGLZKHHNOGU-IPMKNSEASA-N 1 0 381.480 0.433 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)nn1CCC#N ZINC000504095334 1194752972 /nfs/dbraw/zinc/75/29/72/1194752972.db2.gz FRBWFCAZCJILKR-OAHLLOKOSA-N 1 0 388.472 0.755 20 30 GCEDRO C=CCN(CCc1ccco1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423451155 1194756120 /nfs/dbraw/zinc/75/61/20/1194756120.db2.gz IBUHGZLJPSPGFF-OAHLLOKOSA-N 1 0 376.457 0.150 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423527041 1194763470 /nfs/dbraw/zinc/76/34/70/1194763470.db2.gz LYJXMJRGPBKCGQ-VAMGGRTRSA-N 1 0 395.507 0.791 20 30 GCEDRO N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)CC2)cc1 ZINC000423547913 1194765445 /nfs/dbraw/zinc/76/54/45/1194765445.db2.gz BRIMUHRQJDEXLG-FQEVSTJZSA-N 1 0 393.491 0.680 20 30 GCEDRO C[NH2+][C@@H]1CCCN(C(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C1 ZINC000423549545 1194765683 /nfs/dbraw/zinc/76/56/83/1194765683.db2.gz ADJXEMHYZWWAFN-ARGWCVDVSA-N 1 0 381.436 0.069 20 30 GCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000423552031 1194765997 /nfs/dbraw/zinc/76/59/97/1194765997.db2.gz BXSPJCRYTSATCN-BBWFWOEESA-N 1 0 376.501 0.660 20 30 GCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000423552034 1194766063 /nfs/dbraw/zinc/76/60/63/1194766063.db2.gz BXSPJCRYTSATCN-ZACQAIPSSA-N 1 0 376.501 0.660 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423554205 1194766432 /nfs/dbraw/zinc/76/64/32/1194766432.db2.gz DUJMFZGWWWNHKN-XCLFUZPHSA-N 1 0 383.452 0.302 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423573071 1194768762 /nfs/dbraw/zinc/76/87/62/1194768762.db2.gz YJPYCOSIPKOHCP-NVAPDCRFSA-N 1 0 397.479 0.690 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC2)c1C#N ZINC000423619765 1194774345 /nfs/dbraw/zinc/77/43/45/1194774345.db2.gz VRLXGIKJJQXRMN-UHFFFAOYSA-N 1 0 378.502 0.415 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H](C[NH3+])C1 ZINC000423629475 1194775465 /nfs/dbraw/zinc/77/54/65/1194775465.db2.gz BFQRNPFAYFCYJS-IPMKNSEASA-N 1 0 399.495 0.188 20 30 GCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000423642935 1194776841 /nfs/dbraw/zinc/77/68/41/1194776841.db2.gz XDEBSYRQXDDZQB-LSDHHAIUSA-N 1 0 397.479 0.944 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@H](C)C[NH2+]1 ZINC000423642933 1194776991 /nfs/dbraw/zinc/77/69/91/1194776991.db2.gz XDEBSYRQXDDZQB-HUUCEWRRSA-N 1 0 397.479 0.944 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC2)c1C#N ZINC000423622796 1194778019 /nfs/dbraw/zinc/77/80/19/1194778019.db2.gz NEAWQOSOLSKPTQ-HNNXBMFYSA-N 1 0 392.529 0.804 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@H](C)C[NH2+]1 ZINC000423655438 1194780018 /nfs/dbraw/zinc/78/00/18/1194780018.db2.gz SHWQCUWDMKHPOS-VGWCWKRBSA-N 1 0 381.436 0.067 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@@H]1CC[NH2+]C1 ZINC000423666680 1194781920 /nfs/dbraw/zinc/78/19/20/1194781920.db2.gz SLUSFASHTVNEIQ-RTBURBONSA-N 1 0 383.496 0.823 20 30 GCEDRO CCCN(C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O)[C@@H]1CC[NH2+]C1 ZINC000423670834 1194782483 /nfs/dbraw/zinc/78/24/83/1194782483.db2.gz ZTZBEQWQQYDUDU-ZSDSOXJFSA-N 1 0 395.463 0.459 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)c1C#N ZINC000423698799 1194783416 /nfs/dbraw/zinc/78/34/16/1194783416.db2.gz PUMJJFSCFZJPKR-KRWDZBQOSA-N 1 0 376.486 0.169 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@H](C)[NH3+])CC2)c1C#N ZINC000423699478 1194783734 /nfs/dbraw/zinc/78/37/34/1194783734.db2.gz RBJNPJNKOKHHBY-SWLSCSKDSA-N 1 0 390.513 0.700 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@@H](C)[NH3+])CC2)c1C#N ZINC000423699472 1194783743 /nfs/dbraw/zinc/78/37/43/1194783743.db2.gz RBJNPJNKOKHHBY-DOMZBBRYSA-N 1 0 390.513 0.700 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000423680389 1194785184 /nfs/dbraw/zinc/78/51/84/1194785184.db2.gz FEOMSJKZLMMYFX-CEXWTWQISA-N 1 0 381.480 0.576 20 30 GCEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423683408 1194785826 /nfs/dbraw/zinc/78/58/26/1194785826.db2.gz PHMBMRDLAOLYER-VQIMIIECSA-N 1 0 383.496 0.931 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423722751 1194788994 /nfs/dbraw/zinc/78/89/94/1194788994.db2.gz PXPXGUZRPWFVAX-ZSDSOXJFSA-N 1 0 395.463 0.459 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)c1C#N ZINC000423728357 1194790219 /nfs/dbraw/zinc/79/02/19/1194790219.db2.gz LUVVUFUZPSUMAU-ZIAGYGMSSA-N 1 0 388.497 0.040 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)c1C#N ZINC000423728356 1194790305 /nfs/dbraw/zinc/79/03/05/1194790305.db2.gz LUVVUFUZPSUMAU-UONOGXRCSA-N 1 0 388.497 0.040 20 30 GCEDRO Cc1ccc(C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)cc1S(=O)(=O)NCC#N ZINC000425061019 1194836817 /nfs/dbraw/zinc/83/68/17/1194836817.db2.gz XKKOIRDTKKGMRR-JKSUJKDBSA-N 1 0 376.482 0.963 20 30 GCEDRO CN(CC(=O)NC[C@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000434450868 1194845447 /nfs/dbraw/zinc/84/54/47/1194845447.db2.gz VHNGJAKUERULFZ-INIZCTEOSA-N 1 0 394.497 0.142 20 30 GCEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@H]3CNC(=O)CC[NH3+])cc2C1=O ZINC000434707180 1194861169 /nfs/dbraw/zinc/86/11/69/1194861169.db2.gz NRHSYYWBADDXGF-HNNXBMFYSA-N 1 0 398.463 0.928 20 30 GCEDRO COCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000505526254 1194871020 /nfs/dbraw/zinc/87/10/20/1194871020.db2.gz BFGIAGKROOJOLL-DOTOQJQBSA-N 1 0 399.451 0.600 20 30 GCEDRO C[NH+](C)CCOCCNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000514809797 1194913896 /nfs/dbraw/zinc/91/38/96/1194913896.db2.gz KKDSLEZIOHJXAM-UHFFFAOYSA-N 1 0 391.447 0.040 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1=O ZINC000425324326 1194914787 /nfs/dbraw/zinc/91/47/87/1194914787.db2.gz VVNPWOQOQOFGHL-CEXWTWQISA-N 1 0 384.480 0.957 20 30 GCEDRO C[N@H+](C[C@H](O)CN1CCN(S(=O)(=O)c2ccccc2C#N)CC1)C1CC1 ZINC000514818046 1194917357 /nfs/dbraw/zinc/91/73/57/1194917357.db2.gz FKLMCFUXNIHOLR-KRWDZBQOSA-N 1 0 378.498 0.320 20 30 GCEDRO CN(C)C(=O)CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(F)cc2C#N)CC1 ZINC000435658771 1194950880 /nfs/dbraw/zinc/95/08/80/1194950880.db2.gz BSLKMIMEHJGNET-UHFFFAOYSA-N 1 0 389.431 0.695 20 30 GCEDRO C=C(C(=O)N1CCN(CC[NH+](C)C)C[C@]2(CCCC(=O)N2)C1)C(F)(F)F ZINC001270008435 1194962751 /nfs/dbraw/zinc/96/27/51/1194962751.db2.gz SYXGNEJFHVYIAH-MRXNPFEDSA-N 1 0 376.423 0.850 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CCC([NH3+])CC2)CC1 ZINC000516173867 1195029432 /nfs/dbraw/zinc/02/94/32/1195029432.db2.gz GKIQOZFEBIORQO-UHFFFAOYSA-N 1 0 392.463 0.705 20 30 GCEDRO C[N@H+](Cc1ccccc1)[C@@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC000516195406 1195031361 /nfs/dbraw/zinc/03/13/61/1195031361.db2.gz WEWQRAHHONFADR-ROUUACIJSA-N 1 0 378.498 0.956 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@@H]2C[NH+](C)C)C1=O ZINC000436727277 1195031810 /nfs/dbraw/zinc/03/18/10/1195031810.db2.gz YKHSJGKBJRVEBX-OAHLLOKOSA-N 1 0 384.436 0.873 20 30 GCEDRO C=CCn1cc(CNC(=O)NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1 ZINC000425691204 1195059730 /nfs/dbraw/zinc/05/97/30/1195059730.db2.gz LFDPYEJPPPMTNG-UHFFFAOYSA-N 1 0 391.520 0.890 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000414896564 1195060794 /nfs/dbraw/zinc/06/07/94/1195060794.db2.gz PJPKHACWABVGMW-UHFFFAOYSA-N 1 0 395.529 0.910 20 30 GCEDRO CC(=O)N1CCN(Cc2cccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)c2)CC1 ZINC000437417735 1195108362 /nfs/dbraw/zinc/10/83/62/1195108362.db2.gz DNIFIAIAVCXRCY-OAHLLOKOSA-N 1 0 385.468 0.907 20 30 GCEDRO C[C@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000425877037 1195144320 /nfs/dbraw/zinc/14/43/20/1195144320.db2.gz GZJLDUOYSMSUNN-QAPCUYQASA-N 1 0 399.495 0.781 20 30 GCEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000518148754 1195254608 /nfs/dbraw/zinc/25/46/08/1195254608.db2.gz ZHWNYXNIFZATAN-SFHVURJKSA-N 1 0 386.496 0.905 20 30 GCEDRO CCNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1 ZINC000518354587 1195284226 /nfs/dbraw/zinc/28/42/26/1195284226.db2.gz BEFUVKGSNFYEPZ-UHFFFAOYSA-N 1 0 390.469 0.984 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000440250686 1195397762 /nfs/dbraw/zinc/39/77/62/1195397762.db2.gz BFFGHWXBTLVTBO-QGZVFWFLSA-N 1 0 388.468 0.811 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(OCC[NH+](C)C)c2)C1=O ZINC000440250685 1195397852 /nfs/dbraw/zinc/39/78/52/1195397852.db2.gz BFFGHWXBTLVTBO-KRWDZBQOSA-N 1 0 388.468 0.811 20 30 GCEDRO 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ZRNMJWOXFKTYKM-OAHLLOKOSA-N 1 0 376.461 0.253 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000246209013 1197455192 /nfs/dbraw/zinc/45/51/92/1197455192.db2.gz YLOSJYCRPMQJOH-RBUKOAKNSA-N 1 0 377.533 0.475 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCC[NH+]3CCC3)CC2)cc1 ZINC000533566304 1197458729 /nfs/dbraw/zinc/45/87/29/1197458729.db2.gz SZYVZZSRBIPVAA-UHFFFAOYSA-N 1 0 376.482 0.781 20 30 GCEDRO C=CCOc1ccc(-c2noc(CC[C@@H](NC(=O)[C@H](C)[NH3+])C(N)=O)n2)c(F)c1 ZINC001211998154 1197465207 /nfs/dbraw/zinc/46/52/07/1197465207.db2.gz FHPGLIKADBYXAZ-IINYFYTJSA-N 1 0 391.403 0.690 20 30 GCEDRO CC1(C)CN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CCN1CCO ZINC000614895114 1197485287 /nfs/dbraw/zinc/48/52/87/1197485287.db2.gz PBMDFQUIZNXJRL-UHFFFAOYSA-N 1 0 394.497 0.407 20 30 GCEDRO CC[NH+]=C(NCCN1CCOCC1(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262590883 1197535381 /nfs/dbraw/zinc/53/53/81/1197535381.db2.gz UWRMBWIIMHMNQQ-KRWDZBQOSA-N 1 0 395.548 0.386 20 30 GCEDRO C#CC[C@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000271733257 1197559001 /nfs/dbraw/zinc/55/90/01/1197559001.db2.gz SSVZIYWMVPROGC-OALUTQOASA-N 1 0 389.521 0.672 20 30 GCEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271770207 1197559076 /nfs/dbraw/zinc/55/90/76/1197559076.db2.gz CXIPUMDQBIMLAX-OLZOCXBDSA-N 1 0 382.486 0.988 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](NS(=O)(=O)c2ccc(C)cc2)[C@H](C)O)CC1 ZINC000272415781 1197561649 /nfs/dbraw/zinc/56/16/49/1197561649.db2.gz JKAMHOAKUAHMPX-MAUKXSAKSA-N 1 0 395.525 0.789 20 30 GCEDRO C=CC[C@@H](CO)NC(=O)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000273453462 1197564600 /nfs/dbraw/zinc/56/46/00/1197564600.db2.gz UJPLNUBUHOSTSK-KRWDZBQOSA-N 1 0 390.484 0.750 20 30 GCEDRO CC(C)[C@](C)([NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1)C(N)=O ZINC000459479356 1197581669 /nfs/dbraw/zinc/58/16/69/1197581669.db2.gz KLTATZYTTPILEN-KDOFPFPSSA-N 1 0 377.514 0.947 20 30 GCEDRO COCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC 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/nfs/dbraw/zinc/04/87/82/1199048782.db2.gz KFSOQDCKFVPEED-VQIMIIECSA-N 1 0 383.496 0.801 20 30 GCEDRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc(C#N)c2)CC1 ZINC000065588247 1199332488 /nfs/dbraw/zinc/33/24/88/1199332488.db2.gz JFHHPGWWVFATST-UHFFFAOYSA-N 1 0 378.436 0.960 20 30 GCEDRO C=CCN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CC2)C1=O ZINC001003364569 1199506112 /nfs/dbraw/zinc/50/61/12/1199506112.db2.gz INGDORQAMCXYTH-LEUOFYLZSA-N 1 0 377.485 0.405 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)[C@@]2(F)CCOC2)CC1 ZINC001003363203 1199510942 /nfs/dbraw/zinc/51/09/42/1199510942.db2.gz NSOGALIQHAZPDL-PDOICOKGSA-N 1 0 377.460 0.708 20 30 GCEDRO COc1cc(C#N)ccc1OCC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265846551 1199653494 /nfs/dbraw/zinc/65/34/94/1199653494.db2.gz OXQYOVQQAQVOLQ-CVEARBPZSA-N 1 0 395.481 0.033 20 30 GCEDRO CN(CC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000328920914 1199827284 /nfs/dbraw/zinc/82/72/84/1199827284.db2.gz TUKZXYSDAOHUPY-SJORKVTESA-N 1 0 392.481 0.110 20 30 GCEDRO CC[NH+](CC)CCn1ccc2cc(NC(=O)C(=O)NCC(=O)NCC#N)ccc21 ZINC000508981095 1199844743 /nfs/dbraw/zinc/84/47/43/1199844743.db2.gz OPIUKUFRUXEFIW-UHFFFAOYSA-N 1 0 398.467 0.678 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+](CCO)[C@@H]3CC[C@H](C)C3)CC2)o1 ZINC000329808622 1199849444 /nfs/dbraw/zinc/84/94/44/1199849444.db2.gz BVOKSNNMVMPBNB-GOEBONIOSA-N 1 0 375.473 0.986 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000124864573 1199858319 /nfs/dbraw/zinc/85/83/19/1199858319.db2.gz LUTAZDQFAIWXCC-AWEZNQCLSA-N 1 0 383.460 0.849 20 30 GCEDRO C[C@H](CC#N)N(C)S(=O)(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000509168736 1199975626 /nfs/dbraw/zinc/97/56/26/1199975626.db2.gz WKXLYBSXVGGBSE-CQSZACIVSA-N 1 0 387.550 0.681 20 30 GCEDRO C=C(C)CC[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)[C@@H](n2ccnn2)C1 ZINC001129112232 1200465965 /nfs/dbraw/zinc/46/59/65/1200465965.db2.gz AFGVNTDZUZDCOK-NCOADZHNSA-N 1 0 390.488 0.399 20 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ZINC000491416391 1200649350 /nfs/dbraw/zinc/64/93/50/1200649350.db2.gz RHNOHYRKFGBXPM-INIZCTEOSA-N 1 0 381.440 0.593 20 30 GCEDRO CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000491486678 1200657835 /nfs/dbraw/zinc/65/78/35/1200657835.db2.gz PFWQNRMLVNTDBL-UHFFFAOYSA-N 1 0 395.467 0.937 20 30 GCEDRO C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CCCN(S(C)(=O)=O)C3)n2)CC1 ZINC000330210234 1200672780 /nfs/dbraw/zinc/67/27/80/1200672780.db2.gz IFXLJHRFBPZQRX-ZDUSSCGKSA-N 1 0 384.506 0.900 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)n1 ZINC000582192367 1200675435 /nfs/dbraw/zinc/67/54/35/1200675435.db2.gz HONHCNMAHACNQJ-BXUZGUMPSA-N 1 0 383.387 0.659 20 30 GCEDRO CC(C)(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000574144922 1200675568 /nfs/dbraw/zinc/67/55/68/1200675568.db2.gz WCILJTZSQQBAII-OAHLLOKOSA-N 1 0 390.488 0.801 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c(F)c1 ZINC000415574641 1200685709 /nfs/dbraw/zinc/68/57/09/1200685709.db2.gz DQLAQGYKSHUQQY-SQWLQELKSA-N 1 0 396.426 1.407 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)n2)c(F)c1 ZINC000563490567 1200687454 /nfs/dbraw/zinc/68/74/54/1200687454.db2.gz OZWWRQVKRKPPOG-OAHLLOKOSA-N 1 0 383.431 1.394 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1C#N ZINC000598651028 1200728121 /nfs/dbraw/zinc/72/81/21/1200728121.db2.gz VSAOHRAHBUHIBY-HXUWFJFHSA-N 1 0 380.452 1.220 20 30 GCEDRO CC(C)[C@H]1CN(C(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC[NH2+]1 ZINC000591303574 1200761248 /nfs/dbraw/zinc/76/12/48/1200761248.db2.gz NIQYZWSWYMNZQH-MRXNPFEDSA-N 1 0 381.440 0.593 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n1 ZINC000540268818 1200776358 /nfs/dbraw/zinc/77/63/58/1200776358.db2.gz CTUZHULVUTXGPJ-HNNXBMFYSA-N 1 0 376.461 0.843 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCC2(O)CC[NH+](C(C)C)CC2)n1 ZINC000539203631 1200778102 /nfs/dbraw/zinc/77/81/02/1200778102.db2.gz 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ZINC001177351358 1205768196 /nfs/dbraw/zinc/76/81/96/1205768196.db2.gz YSGNNKRYVHQBJR-JXAWBTAJSA-N 1 0 382.398 0.252 20 30 GCEDRO Cn1nnc2c1CCN(C(=O)C#Cc1ccccn1)[C@H]2COCC[NH+]1CCCC1 ZINC001177800718 1205777068 /nfs/dbraw/zinc/77/70/68/1205777068.db2.gz GVXJDGLESBCYOI-IBGZPJMESA-N 1 0 394.479 0.800 20 30 GCEDRO CC(=O)N1CCC([NH+]2CCC(C(=O)N=C(N)c3ccc(C(N)=O)cc3)CC2)CC1 ZINC001179017305 1205798086 /nfs/dbraw/zinc/79/80/86/1205798086.db2.gz HBPSZHKEBRYPCZ-UHFFFAOYSA-N 1 0 399.495 0.740 20 30 GCEDRO COc1ccc(C#CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)cc1 ZINC001182051054 1205854810 /nfs/dbraw/zinc/85/48/10/1205854810.db2.gz ZUADIJCKROGCOA-UHFFFAOYSA-N 1 0 399.472 0.993 20 30 GCEDRO C=CCSCC(=O)N1C[C@@H]2OCCN(C(=O)[C@@H]3CC4CC[NH+]3CC4)[C@H]2C1 ZINC001273475067 1205869585 /nfs/dbraw/zinc/86/95/85/1205869585.db2.gz VFEAPHGIDPLQKK-ULQDDVLXSA-N 1 0 379.526 0.828 20 30 GCEDRO N#C[C@@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O ZINC001182541137 1205876228 /nfs/dbraw/zinc/87/62/28/1205876228.db2.gz ALLBKYPPYZFLNE-UXHICEINSA-N 1 0 391.475 0.867 20 30 GCEDRO CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)C(=O)COc1ccc(C#N)cc1 ZINC001182913224 1205883158 /nfs/dbraw/zinc/88/31/58/1205883158.db2.gz JQXBGZQWELQREM-UHFFFAOYSA-N 1 0 390.421 0.559 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001183043742 1205885615 /nfs/dbraw/zinc/88/56/15/1205885615.db2.gz XTZPELSHINBOOR-UHFFFAOYSA-N 1 0 386.496 0.516 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001183043786 1205885688 /nfs/dbraw/zinc/88/56/88/1205885688.db2.gz ZCUGQGNLOTUTDQ-SFHVURJKSA-N 1 0 391.512 0.895 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001183043294 1205885755 /nfs/dbraw/zinc/88/57/55/1205885755.db2.gz OUUWFKRRQWRUFD-YTQUADARSA-N 1 0 399.495 0.864 20 30 GCEDRO CN1CCN(C2CN(C(=O)[C@H]3CCCCN3Cc3ccccc3C#N)C2)CC1=O ZINC001183832973 1205901132 /nfs/dbraw/zinc/90/11/32/1205901132.db2.gz ZFBHNIRCLYNSNS-HXUWFJFHSA-N 1 0 395.507 0.898 20 30 GCEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)Cc1ccccc1 ZINC000774923745 1205928716 /nfs/dbraw/zinc/92/87/16/1205928716.db2.gz NWKPCHAOZXALKM-GOSISDBHSA-N 1 0 394.479 0.770 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000774969168 1205934164 /nfs/dbraw/zinc/93/41/64/1205934164.db2.gz LCVXTOUATAUFHT-KRWDZBQOSA-N 1 0 398.507 0.772 20 30 GCEDRO CN(CCCN1CC[NH+](C)CC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C#N ZINC001187129397 1205955881 /nfs/dbraw/zinc/95/58/81/1205955881.db2.gz LJJWDCWFBIBESJ-UHFFFAOYSA-N 1 0 381.458 0.724 20 30 GCEDRO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H](C(=O)N4CCCC4)O3)[C@@H]2C1 ZINC001189109776 1205995602 /nfs/dbraw/zinc/99/56/02/1205995602.db2.gz DFINKDIVHGADHU-MANSERQUSA-N 1 0 389.496 0.339 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NC1CC1 ZINC001110424171 1206029323 /nfs/dbraw/zinc/02/93/23/1206029323.db2.gz IUROCLFXBKLBSG-OAGGEKHMSA-N 1 0 378.473 0.679 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC[C@@H]1CCCO1 ZINC001110424198 1206029385 /nfs/dbraw/zinc/02/93/85/1206029385.db2.gz JRAOHEXRTXTQRX-XDNAFOTISA-N 1 0 379.501 0.986 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC1CCOCC1 ZINC001110424761 1206030094 /nfs/dbraw/zinc/03/00/94/1206030094.db2.gz XMLXNOVPEAXXGF-KURKYZTESA-N 1 0 379.501 0.986 20 30 GCEDRO N#Cc1c2c(cnc1N1CCn3c(CN4CCOCC4)nnc3C1)C[NH2+]CCC2 ZINC001164677175 719569205 /nfs/dbraw/zinc/56/92/05/719569205.db2.gz VDCNMOHGPSDNQH-UHFFFAOYSA-N 1 0 394.483 0.433 20 30 GCEDRO COc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)ncc1C#N ZINC001164712909 720173557 /nfs/dbraw/zinc/17/35/57/720173557.db2.gz IAWKSJGXNFIQQL-MRXNPFEDSA-N 1 0 398.471 0.702 20 30 GCEDRO CCc1nc(C#N)c(C#N)nc1N1CC[N@@H+]2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164752017 720801365 /nfs/dbraw/zinc/80/13/65/720801365.db2.gz YLGBEAKHPLLWEM-KBPBESRZSA-N 1 0 376.424 0.914 20 30 GCEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc(Cl)c1C#N)CC2 ZINC001164748646 720948779 /nfs/dbraw/zinc/94/87/79/720948779.db2.gz CLBWLGMGMJYSDU-UHFFFAOYSA-N 1 0 375.820 0.844 20 30 GCEDRO CN1CC[NH+](C[C@H]2CCC[C@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1 ZINC001164895394 721438563 /nfs/dbraw/zinc/43/85/63/721438563.db2.gz OILBISXCBIQLHL-OXQOHEQNSA-N 1 0 381.484 0.985 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573284915 946762729 /nfs/dbraw/zinc/76/27/29/946762729.db2.gz AMEQEHSILVXBLR-DYVFJYSZSA-N 1 0 385.447 0.698 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573287227 946832207 /nfs/dbraw/zinc/83/22/07/946832207.db2.gz MJXDYHRHWCLCGJ-HNNXBMFYSA-N 1 0 383.456 0.682 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573288068 946855060 /nfs/dbraw/zinc/85/50/60/946855060.db2.gz MKSGSVZCVUPNGJ-SFHVURJKSA-N 1 0 376.420 0.729 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573560450 946951333 /nfs/dbraw/zinc/95/13/33/946951333.db2.gz CQXVLGMVLLGJOE-HNNXBMFYSA-N 1 0 382.472 0.602 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573561824 946967260 /nfs/dbraw/zinc/96/72/60/946967260.db2.gz NRLHQOXMYTYUJC-DGCLKSJQSA-N 1 0 375.408 0.417 20 30 GCEDRO C=C(C)CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573293950 946972313 /nfs/dbraw/zinc/97/23/13/946972313.db2.gz PFWFTOTYSKSYER-MRXNPFEDSA-N 1 0 384.488 0.993 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573565197 947002566 /nfs/dbraw/zinc/00/25/66/947002566.db2.gz ONPKKFWZPZIFFW-CQSZACIVSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573567814 947056375 /nfs/dbraw/zinc/05/63/75/947056375.db2.gz SZRHXRHCKHGUIC-SGTLLEGYSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573310108 947218453 /nfs/dbraw/zinc/21/84/53/947218453.db2.gz UBDXJQSLSCXDID-LIRRHRJNSA-N 1 0 386.456 0.893 20 30 GCEDRO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC001573327643 947393180 /nfs/dbraw/zinc/39/31/80/947393180.db2.gz IMDYOGIGMKNZFQ-IBGZPJMESA-N 1 0 386.456 0.895 20 30 GCEDRO C=CCCOCC(=O)NC[C@@H]1COCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573336525 947506902 /nfs/dbraw/zinc/50/69/02/947506902.db2.gz OKZLFYXIBMQXFF-CQSZACIVSA-N 1 0 387.444 0.484 20 30 GCEDRO C=CCOc1cccnc1C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573349024 947591602 /nfs/dbraw/zinc/59/16/02/947591602.db2.gz YFYOENWBQHDERM-UHFFFAOYSA-N 1 0 380.412 0.828 20 30 GCEDRO C=CCn1cc(C(=O)NCC=CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350260 947594827 /nfs/dbraw/zinc/59/48/27/947594827.db2.gz BECTZIFMYWCXDM-ONEGZZNKSA-N 1 0 379.428 0.720 20 30 GCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3-c3nn[nH]n3)C2)nn1 ZINC001573351893 947623562 /nfs/dbraw/zinc/62/35/62/947623562.db2.gz XHCIBTMFMYIXPN-CQSZACIVSA-N 1 0 379.428 0.649 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N(C)Cc1cc(Cl)cn1C ZINC000261989437 530131317 /nfs/dbraw/zinc/13/13/17/530131317.db2.gz QXAVHQZQRKDQMV-LBPRGKRZSA-N 1 0 375.926 0.967 20 30 GCEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000283655673 530207653 /nfs/dbraw/zinc/20/76/53/530207653.db2.gz YUCIDTOKFOBMOJ-ZDUSSCGKSA-N 1 0 376.276 0.912 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000409520870 530229606 /nfs/dbraw/zinc/22/96/06/530229606.db2.gz TYWZKXIBZVZCBL-IYBDPMFKSA-N 1 0 376.523 0.572 20 30 GCEDRO COc1ccc(CCNC(=[NH2+])NCCS(=O)(=O)N2CCSCC2)cc1 ZINC000267477653 530212834 /nfs/dbraw/zinc/21/28/34/530212834.db2.gz ZUPSKAKCOPXQFM-UHFFFAOYSA-N 1 0 386.543 0.521 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561569966 530281030 /nfs/dbraw/zinc/28/10/30/530281030.db2.gz XAAWMJWURPTFSB-GFCCVEGCSA-N 1 0 386.440 0.758 20 30 GCEDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)cc(C#N)c2)CC1 ZINC000188204764 530305811 /nfs/dbraw/zinc/30/58/11/530305811.db2.gz GYAMHHXKVYTQOD-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000518759475 530331296 /nfs/dbraw/zinc/33/12/96/530331296.db2.gz WYEWJBVSHUQBQE-CYBMUJFWSA-N 1 0 392.884 0.553 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CCN(c2cccs2)CC1 ZINC000158915176 530327232 /nfs/dbraw/zinc/32/72/32/530327232.db2.gz WVQUNZHNXSJICO-CQSZACIVSA-N 1 0 385.559 0.727 20 30 GCEDRO C=CCOCC[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000644617815 530359429 /nfs/dbraw/zinc/35/94/29/530359429.db2.gz BVCTVRZAAAIOTM-UHFFFAOYSA-N 1 0 376.500 0.503 20 30 GCEDRO CN1CC[NH+]=C1NC[C@H](O)COc1ccc(I)cc1 ZINC000284959588 530388265 /nfs/dbraw/zinc/38/82/65/530388265.db2.gz FHRQYPYUDUUPBH-NSHDSACASA-N 1 0 375.210 0.922 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000566737192 530395767 /nfs/dbraw/zinc/39/57/67/530395767.db2.gz GMLNDZLQPGTDFA-CYBMUJFWSA-N 1 0 399.314 0.989 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000566737195 530395903 /nfs/dbraw/zinc/39/59/03/530395903.db2.gz GMLNDZLQPGTDFA-ZDUSSCGKSA-N 1 0 399.314 0.989 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000591728000 530410597 /nfs/dbraw/zinc/41/05/97/530410597.db2.gz WEVPXVJDBLHWJY-HNNXBMFYSA-N 1 0 383.290 0.975 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000567734619 530466188 /nfs/dbraw/zinc/46/61/88/530466188.db2.gz RECJMFZJZPXSCI-GFCCVEGCSA-N 1 0 399.314 0.989 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1ccc(C#N)cn1 ZINC000572319496 530511977 /nfs/dbraw/zinc/51/19/77/530511977.db2.gz XGNCNXCBJPFVSC-KGLIPLIRSA-N 1 0 386.499 0.177 20 30 GCEDRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000567693573 530546952 /nfs/dbraw/zinc/54/69/52/530546952.db2.gz XGYBIHHZBSJLIT-UONOGXRCSA-N 1 0 385.511 0.992 20 30 GCEDRO N#Cc1ccc(OC[C@@H](O)C[NH2+]CCS(=O)(=O)N2CCSCC2)cc1 ZINC000573477420 530524480 /nfs/dbraw/zinc/52/44/80/530524480.db2.gz GQTZKXHQYHDQBF-HNNXBMFYSA-N 1 0 385.511 0.266 20 30 GCEDRO CCS(=O)(=O)N(C)C1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000330827495 530525843 /nfs/dbraw/zinc/52/58/43/530525843.db2.gz JAEHDJYMHUQTIP-CQSZACIVSA-N 1 0 376.523 0.367 20 30 GCEDRO C[NH+](C)C1(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CCC1 ZINC000563426140 530526215 /nfs/dbraw/zinc/52/62/15/530526215.db2.gz GPDSDCCPCUEVKR-UHFFFAOYSA-N 1 0 386.499 0.251 20 30 GCEDRO CN(C1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1)S(C)(=O)=O ZINC000331225301 530540310 /nfs/dbraw/zinc/54/03/10/530540310.db2.gz DYOWJJYJFGRDDC-UHFFFAOYSA-N 1 0 388.412 0.325 20 30 GCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(S(N)(=O)=O)ccc1Br ZINC000293988113 530567541 /nfs/dbraw/zinc/56/75/41/530567541.db2.gz NPQRJVXUOQGLGJ-UHFFFAOYSA-N 1 0 388.287 0.781 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000572855793 530571869 /nfs/dbraw/zinc/57/18/69/530571869.db2.gz MJSFZXAKOJWJFT-QWHCGFSZSA-N 1 0 388.515 0.448 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000575935447 530604061 /nfs/dbraw/zinc/60/40/61/530604061.db2.gz UBHHVAXUQGAGAN-STQMWFEESA-N 1 0 388.515 0.448 20 30 GCEDRO C[NH+]1CCC(C)(CNC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000329535755 530614475 /nfs/dbraw/zinc/61/44/75/530614475.db2.gz ZPWNDMJINOXUKR-UHFFFAOYSA-N 1 0 378.564 0.601 20 30 GCEDRO N#CCc1ccc(OC[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)s2)cc1 ZINC000577215643 530617864 /nfs/dbraw/zinc/61/78/64/530617864.db2.gz FCLBBJYDQYKABD-ZDUSSCGKSA-N 1 0 381.479 0.991 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2cccs2)c1C#N ZINC000589272914 530662248 /nfs/dbraw/zinc/66/22/48/530662248.db2.gz SOXBRHHSKXJHRH-UHFFFAOYSA-N 1 0 382.471 0.412 20 30 GCEDRO N#CCNS(=O)(=O)CCCS(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000349535487 530678033 /nfs/dbraw/zinc/67/80/33/530678033.db2.gz VZFIAQPKKITQFJ-UHFFFAOYSA-N 1 0 392.547 0.100 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000579732233 530746244 /nfs/dbraw/zinc/74/62/44/530746244.db2.gz SFZPTVCFOYDFPU-CYBMUJFWSA-N 1 0 388.515 0.401 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)NCC2(C#N)CC2)c(C)c[nH+]1 ZINC000579853161 530747759 /nfs/dbraw/zinc/74/77/59/530747759.db2.gz FBVSGKXFNVEGIG-UHFFFAOYSA-N 1 0 386.499 0.475 20 30 GCEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000278949351 530917674 /nfs/dbraw/zinc/91/76/74/530917674.db2.gz ZEUIWCGHNIMTDV-ZDUSSCGKSA-N 1 0 376.276 0.912 20 30 GCEDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000292966635 530928659 /nfs/dbraw/zinc/92/86/59/530928659.db2.gz AVOJZCYJAAHINP-UHFFFAOYSA-N 1 0 383.246 0.954 20 30 GCEDRO C[N@@H+]1CC[C@](O)(CNC(=O)C(=O)Nc2ccc(C#N)c(Br)c2)C1 ZINC000499778833 530942736 /nfs/dbraw/zinc/94/27/36/530942736.db2.gz GQMVOIKLDNOSMN-HNNXBMFYSA-N 1 0 381.230 0.442 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)CNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000521859383 530970642 /nfs/dbraw/zinc/97/06/42/530970642.db2.gz YEXRCSXNSBEYAF-UHFFFAOYSA-N 1 0 376.891 0.784 20 30 GCEDRO C=CC[NH+](CC=C)[C@@H](CNS(=O)(=O)CCCS(=O)(=O)N(C)C)C(C)C ZINC000276632525 531009043 /nfs/dbraw/zinc/00/90/43/531009043.db2.gz WITOSPUFPYCEIJ-INIZCTEOSA-N 1 0 395.591 0.886 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)c1ccc(Cl)cc1)N1CCN(C(C)=O)CC1 ZINC000263258062 531114565 /nfs/dbraw/zinc/11/45/65/531114565.db2.gz ROBBWFFWMYOTCS-UHFFFAOYSA-N 1 0 386.905 0.853 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2cc(-c3nn[nH]n3)ccc2OCC)CC1 ZINC000819750649 599612696 /nfs/dbraw/zinc/61/26/96/599612696.db2.gz IIFLEHZJBAEWCA-UHFFFAOYSA-N 1 0 399.455 0.971 20 30 GCEDRO N#Cc1ncn(CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000822845974 607205980 /nfs/dbraw/zinc/20/59/80/607205980.db2.gz KWENKVWTXHSBRN-UHFFFAOYSA-N 1 0 392.427 0.064 20 30 GCEDRO CN(CCC#N)C(=O)CC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825914510 608204777 /nfs/dbraw/zinc/20/47/77/608204777.db2.gz IBZYUHZRBKJEBQ-UHFFFAOYSA-N 1 0 382.472 0.746 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCCc2[nH]nc(N)c2-c2nn[nH]n2)CC1 ZINC000823920182 609301740 /nfs/dbraw/zinc/30/17/40/609301740.db2.gz ZQONRKRLZGPQFF-UHFFFAOYSA-N 1 0 388.480 0.396 20 30 GCEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261614100 638649392 /nfs/dbraw/zinc/64/93/92/638649392.db2.gz BPXWSENZAOPJEG-CQSZACIVSA-N 1 0 376.404 0.981 20 30 GCEDRO CC(C)C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000262420413 639076255 /nfs/dbraw/zinc/07/62/55/639076255.db2.gz QXCQECTWXMMKDG-GJZGRUSLSA-N 1 0 393.575 0.532 20 30 GCEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000262451256 639082265 /nfs/dbraw/zinc/08/22/65/639082265.db2.gz WALPXDCOUKVSRX-LSDHHAIUSA-N 1 0 391.559 0.452 20 30 GCEDRO [NH2+]=C(NC[C@]1(O)CCS(=O)(=O)C1)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000263069633 639145382 /nfs/dbraw/zinc/14/53/82/639145382.db2.gz GNIRCCMWKNGQPA-MRXNPFEDSA-N 1 0 386.905 0.326 20 30 GCEDRO C[NH+](C)C[C@@](C)(O)CNS(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000907065645 639354572 /nfs/dbraw/zinc/35/45/72/639354572.db2.gz PCMCSGNSGTXFNG-ZDUSSCGKSA-N 1 0 376.276 0.912 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)N(C)CC[N@H+](C)CCO)s1 ZINC000912613294 639547277 /nfs/dbraw/zinc/54/72/77/639547277.db2.gz ZKEFCQVRKSHNNF-UHFFFAOYSA-N 1 0 375.516 0.137 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000913523868 639580619 /nfs/dbraw/zinc/58/06/19/639580619.db2.gz PSPKJFVYCRMAOB-UHFFFAOYSA-N 1 0 378.479 0.593 20 30 GCEDRO C[NH+](C)CC#CCNC(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC000913515278 639581359 /nfs/dbraw/zinc/58/13/59/639581359.db2.gz QENBGDZAIPDGFQ-UHFFFAOYSA-N 1 0 388.287 0.409 20 30 GCEDRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)NCC#CC[NH+](C)C ZINC000913515437 639581639 /nfs/dbraw/zinc/58/16/39/639581639.db2.gz XHFMQGUUZIRAKX-INIZCTEOSA-N 1 0 383.539 0.768 20 30 GCEDRO Cc1c(C(=O)NCC#CC[NH+](C)C)cc(Br)cc1S(N)(=O)=O ZINC000913518962 639581674 /nfs/dbraw/zinc/58/16/74/639581674.db2.gz ICTGOAJOMMYNHS-UHFFFAOYSA-N 1 0 388.287 0.700 20 30 GCEDRO N#Cc1cc(F)cc(S(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000866761907 641326929 /nfs/dbraw/zinc/32/69/29/641326929.db2.gz CKMRLOOVYRLSOP-ZDUSSCGKSA-N 1 0 380.367 0.812 20 30 GCEDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(Br)c(C#N)c1 ZINC000903485469 642182800 /nfs/dbraw/zinc/18/28/00/642182800.db2.gz FEINAXFMLRKQML-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000834480505 642212811 /nfs/dbraw/zinc/21/28/11/642212811.db2.gz RCIZLQGZJIDKRG-NXEZZACHSA-N 1 0 381.177 0.780 20 30 GCEDRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834500120 642213378 /nfs/dbraw/zinc/21/33/78/642213378.db2.gz QJJOSDGTFMLKEU-QMTHXVAHSA-N 1 0 386.861 0.106 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 ZINC000834506181 642213938 /nfs/dbraw/zinc/21/39/38/642213938.db2.gz QGWHUDGZSISLIY-OCCSQVGLSA-N 1 0 382.873 0.966 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1cnc(N2CCOCC2)c(Br)c1 ZINC000841229156 642292458 /nfs/dbraw/zinc/29/24/58/642292458.db2.gz IXVVZYZLKWTFOX-ZWNOBZJWSA-N 1 0 395.261 0.914 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000843460744 642370078 /nfs/dbraw/zinc/37/00/78/642370078.db2.gz IMHASDCRTORXPA-SKDRFNHKSA-N 1 0 391.280 0.890 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843460818 642370411 /nfs/dbraw/zinc/37/04/11/642370411.db2.gz QRCRABBTHSNTSN-WDEREUQCSA-N 1 0 377.451 0.139 20 30 GCEDRO C#C[C@H](C)N(C)S(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000848960435 642581642 /nfs/dbraw/zinc/58/16/42/642581642.db2.gz AXIAZKQINAPJHX-ZDUSSCGKSA-N 1 0 388.515 0.563 20 30 GCEDRO C#C[C@H](NS(=O)(=O)CCCS(=O)(=O)Nc1cc(C)[nH+]cc1C)C(C)C ZINC000848963112 642592111 /nfs/dbraw/zinc/59/21/11/642592111.db2.gz JNPVVIDYOVDIGG-HNNXBMFYSA-N 1 0 387.527 0.829 20 30 GCEDRO C[NH+]=C(NCCN1CCOCC1)NC[C@H](O)c1ccccc1Br ZINC000849116124 642624179 /nfs/dbraw/zinc/62/41/79/642624179.db2.gz FYWWEIYPGAKGFS-HNNXBMFYSA-N 1 0 385.306 0.980 20 30 GCEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)C1 ZINC000662951327 1192166857 /nfs/dbraw/zinc/16/68/57/1192166857.db2.gz SJXKNTRWGUISNQ-SQNIBIBYSA-N 1 0 390.528 0.908 20 30 GCEDRO C=CC[C@H]1CCCN(C(=O)C(=O)N2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662962195 1192170512 /nfs/dbraw/zinc/17/05/12/1192170512.db2.gz ZZEMUSFZOSZNGR-IRXDYDNUSA-N 1 0 376.501 0.472 20 30 GCEDRO C=CC[C@@H]1CCCN(C(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C1 ZINC000662962194 1192170673 /nfs/dbraw/zinc/17/06/73/1192170673.db2.gz ZZEMUSFZOSZNGR-IAGOWNOFSA-N 1 0 376.501 0.472 20 30 GCEDRO COCC#CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1c1ccccc1 ZINC001211673612 1192181599 /nfs/dbraw/zinc/18/15/99/1192181599.db2.gz RZNLTKIMDDDOHV-ZSYWTGECSA-N 1 0 385.464 0.253 20 30 GCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001481449775 1192217927 /nfs/dbraw/zinc/21/79/27/1192217927.db2.gz MOPMLIGMLKKRBN-JJXSEGSLSA-N 1 0 378.473 0.394 20 30 GCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662167080 1192251053 /nfs/dbraw/zinc/25/10/53/1192251053.db2.gz RMFVZBXJBSXBOE-UONOGXRCSA-N 1 0 383.470 0.171 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)c1ccn[nH]1 ZINC000278868688 1192309109 /nfs/dbraw/zinc/30/91/09/1192309109.db2.gz XRNPEVAWRQHJGI-TYHXDMBQSA-N 1 0 377.445 0.636 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000644844149 1192344441 /nfs/dbraw/zinc/34/44/41/1192344441.db2.gz KVOVBZZNAVXPOX-KSZLIROESA-N 1 0 378.517 0.322 20 30 GCEDRO CC[NH+](CC)CCNC(=O)C(=O)N1CCN(c2oc(C3CC3)nc2C#N)CC1 ZINC000585681659 1192365020 /nfs/dbraw/zinc/36/50/20/1192365020.db2.gz GNPDCPIVEIDMOK-UHFFFAOYSA-N 1 0 388.472 0.530 20 30 GCEDRO CC(C)(CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)[NH+]1CCCCC1 ZINC000585685479 1192368851 /nfs/dbraw/zinc/36/88/51/1192368851.db2.gz JCZZERLRVYUVQJ-UHFFFAOYSA-N 1 0 398.511 0.983 20 30 GCEDRO N#Cc1ccc(OC[C@@H](O)C[N@@H+]2CCC[C@H](N3CCCS3(=O)=O)C2)cc1 ZINC000278928326 1192374299 /nfs/dbraw/zinc/37/42/99/1192374299.db2.gz SHUPNTVJWQCRRE-IRXDYDNUSA-N 1 0 379.482 0.798 20 30 GCEDRO C[NH+](C)CCOc1ccc(CNC(=O)C(=O)NC2CCN(CC#N)CC2)cc1 ZINC000585709765 1192395235 /nfs/dbraw/zinc/39/52/35/1192395235.db2.gz FSPHIWQIMWNKHG-UHFFFAOYSA-N 1 0 387.484 0.347 20 30 GCEDRO CN(C(=O)C(=O)NCc1cccc(C#N)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000585711615 1192395594 /nfs/dbraw/zinc/39/55/94/1192395594.db2.gz ODKGXTHQPRECTD-LJQANCHMSA-N 1 0 383.496 0.801 20 30 GCEDRO C[C@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000585717010 1192396345 /nfs/dbraw/zinc/39/63/45/1192396345.db2.gz NHPYQKLFSOCOBA-INIZCTEOSA-N 1 0 398.511 0.886 20 30 GCEDRO C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)NC2CCN(c3ccc(C#N)cn3)CC2)C1 ZINC000585717011 1192396618 /nfs/dbraw/zinc/39/66/18/1192396618.db2.gz NHPYQKLFSOCOBA-MRXNPFEDSA-N 1 0 398.511 0.886 20 30 GCEDRO CC(C)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)[NH+]1CCC(C)CC1 ZINC000585715986 1192396636 /nfs/dbraw/zinc/39/66/36/1192396636.db2.gz VELWZRAGONRSDU-SFHVURJKSA-N 1 0 377.533 0.963 20 30 GCEDRO C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)NC2CCN(CC#N)CC2)C1 ZINC000585721314 1192396854 /nfs/dbraw/zinc/39/68/54/1192396854.db2.gz USGUSGKOSUZMPY-IRXDYDNUSA-N 1 0 377.533 0.965 20 30 GCEDRO CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCN(CC#N)CC1)c1ccco1 ZINC000585775773 1192410787 /nfs/dbraw/zinc/41/07/87/1192410787.db2.gz PHUOAXLGQAIWQJ-MRXNPFEDSA-N 1 0 375.473 0.883 20 30 GCEDRO CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCO[C@@H](C#N)C1 ZINC001745423312 1192490474 /nfs/dbraw/zinc/49/04/74/1192490474.db2.gz LBCHIROQVLMSKF-INIZCTEOSA-N 1 0 389.504 0.975 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)NC1CCN(CC(=O)N(C)C)CC1 ZINC000261600250 1192594785 /nfs/dbraw/zinc/59/47/85/1192594785.db2.gz BEGDYNYVXWOXDL-CGTJXYLNSA-N 1 0 377.533 0.662 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(CC(=O)N2CCCC2)CC1 ZINC000261642180 1192630744 /nfs/dbraw/zinc/63/07/44/1192630744.db2.gz LEQRRHBQRQYNBW-QXAKKESOSA-N 1 0 389.544 0.759 20 30 GCEDRO N#CCCNS(=O)(=O)c1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC000512364410 1192633036 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/nfs/dbraw/zinc/68/46/24/1192684624.db2.gz QOYJOUHLSNKGJR-MSOLQXFVSA-N 1 0 397.479 0.770 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000418908207 1192686308 /nfs/dbraw/zinc/68/63/08/1192686308.db2.gz MLPDEXOBEDOLRW-JZXOWHBKSA-N 1 0 395.463 0.238 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418910016 1192687279 /nfs/dbraw/zinc/68/72/79/1192687279.db2.gz ONVHLHMKOAJZIZ-WBAXXEDZSA-N 1 0 397.479 0.898 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H](C)C[NH2+]1 ZINC000418914645 1192687551 /nfs/dbraw/zinc/68/75/51/1192687551.db2.gz UDDQWYYISDPGPB-CPUCHLNUSA-N 1 0 383.452 0.379 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418916047 1192688301 /nfs/dbraw/zinc/68/83/01/1192688301.db2.gz VYKLIVLEHDVRBC-WBVHZDCISA-N 1 0 385.468 0.804 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]1 ZINC000418916583 1192688913 /nfs/dbraw/zinc/68/89/13/1192688913.db2.gz WYSMSHXVRSXLRI-MRXNPFEDSA-N 1 0 383.452 0.380 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[C@@H]1[NH3+] ZINC000418915154 1192690197 /nfs/dbraw/zinc/69/01/97/1192690197.db2.gz UUCLQQSRCBCIJJ-COXVUDFISA-N 1 0 383.452 0.366 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H]1C[NH3+] ZINC000418917867 1192689454 /nfs/dbraw/zinc/68/94/54/1192689454.db2.gz YWUHUASQPCLGBC-HFTRVMKXSA-N 1 0 397.479 0.613 20 30 GCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000418942868 1192696855 /nfs/dbraw/zinc/69/68/55/1192696855.db2.gz BEGCQZKROARNNT-IRXDYDNUSA-N 1 0 385.468 0.265 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000418972192 1192707258 /nfs/dbraw/zinc/70/72/58/1192707258.db2.gz YKJMAFLLRQHUIV-QGTPRVQTSA-N 1 0 397.479 0.504 20 30 GCEDRO N#Cc1ccc(CN2CC[C@H](NC(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])C2=O)cc1 ZINC000418960334 1192705968 /nfs/dbraw/zinc/70/59/68/1192705968.db2.gz IRLLYHHKKXFUOM-KSZLIROESA-N 1 0 397.479 0.409 20 30 GCEDRO N#Cc1ccccc1OC1CCC(NC(=O)C(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000419039734 1192735290 /nfs/dbraw/zinc/73/52/90/1192735290.db2.gz WERKHTBOPWZENF-JCYILVPMSA-N 1 0 386.452 0.551 20 30 GCEDRO C=CC[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000419060927 1192754401 /nfs/dbraw/zinc/75/44/01/1192754401.db2.gz UDQNKXKJPOFIGY-MSOLQXFVSA-N 1 0 386.496 0.604 20 30 GCEDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)NCC#Cc2cccc(C(F)(F)F)c2)CCCO1 ZINC000419112780 1192799828 /nfs/dbraw/zinc/79/98/28/1192799828.db2.gz KKMZJGAPXCNEGM-OAHLLOKOSA-N 1 0 383.370 0.749 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000893770225 1192855078 /nfs/dbraw/zinc/85/50/78/1192855078.db2.gz DCLUUKGPKBPNKL-KRWDZBQOSA-N 1 0 399.561 0.149 20 30 GCEDRO CC[NH+]=C(NCC1([NH+](C)C)CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261699405 1192899240 /nfs/dbraw/zinc/89/92/40/1192899240.db2.gz JCFNRNKEKAMHNS-UHFFFAOYSA-N 1 0 375.521 0.909 20 30 GCEDRO C[C@@H](NC(=O)C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C#N)cc1 ZINC000573586685 1192907871 /nfs/dbraw/zinc/90/78/71/1192907871.db2.gz DGZKEPAXEHQJAR-RHSMWYFYSA-N 1 0 385.468 0.439 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)CC1 ZINC001772503974 1184234624 /nfs/dbraw/zinc/23/46/24/1184234624.db2.gz VOPXNPZMCQUJGP-NRFANRHFSA-N 1 0 381.480 0.951 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2CC[C@]3(CCC[NH2+]3)C2)CC1 ZINC001772505165 1184306210 /nfs/dbraw/zinc/30/62/10/1184306210.db2.gz XQFXDYKMIJMOJZ-HXUWFJFHSA-N 1 0 385.443 0.700 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000245942552 1184380771 /nfs/dbraw/zinc/38/07/71/1184380771.db2.gz AZYDEESQJGEKJY-VQTJNVASSA-N 1 0 391.560 0.723 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)CC1 ZINC000245942551 1184380973 /nfs/dbraw/zinc/38/09/73/1184380973.db2.gz AZYDEESQJGEKJY-PMACEKPBSA-N 1 0 391.560 0.723 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000275061392 1184486147 /nfs/dbraw/zinc/48/61/47/1184486147.db2.gz NJXKMYABKKVANW-QGZVFWFLSA-N 1 0 398.463 0.990 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1=O ZINC000275061391 1184486299 /nfs/dbraw/zinc/48/62/99/1184486299.db2.gz NJXKMYABKKVANW-KRWDZBQOSA-N 1 0 398.463 0.990 20 30 GCEDRO C#CCNC(=O)CN1CCCN(C(=O)c2cn(C)nc2-c2cnn(CC)c2)CC1 ZINC000275216911 1184557629 /nfs/dbraw/zinc/55/76/29/1184557629.db2.gz CUGQYHFQOJTLDJ-UHFFFAOYSA-N 1 0 397.483 0.201 20 30 GCEDRO C[C@@H](CNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328637457 1184576509 /nfs/dbraw/zinc/57/65/09/1184576509.db2.gz AVBVKDJNLZSZGA-MSOLQXFVSA-N 1 0 395.548 0.497 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)N2CCN(C[C@@H](C)O)C[C@H]2C)cc1 ZINC000275293475 1184587460 /nfs/dbraw/zinc/58/74/60/1184587460.db2.gz XLOCISPUVOKIIN-HUUCEWRRSA-N 1 0 379.482 0.125 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000430371876 1184623865 /nfs/dbraw/zinc/62/38/65/1184623865.db2.gz QOFLYARCGZXJMM-LNLFQRSKSA-N 1 0 392.544 0.711 20 30 GCEDRO CN1CCN(C(=O)C2CCN(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000328659560 1184631661 /nfs/dbraw/zinc/63/16/61/1184631661.db2.gz SZLHOHROEWHYDF-MRXNPFEDSA-N 1 0 377.533 0.871 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CC[N@H+](C2CCOCC2)C[C@@H]1C ZINC000430402615 1184660247 /nfs/dbraw/zinc/66/02/47/1184660247.db2.gz MTQNWXABTGVCFM-BQFCYCMXSA-N 1 0 379.501 0.796 20 30 GCEDRO COc1cccc(NC(=O)CONC(N)=C2C(=[NH2+])C3(CCCC3)N(C)C2=O)c1 ZINC000063456406 1184671285 /nfs/dbraw/zinc/67/12/85/1184671285.db2.gz QZERZHYCGSCJOC-UHFFFAOYSA-N 1 0 387.440 0.920 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000430413317 1184689407 /nfs/dbraw/zinc/68/94/07/1184689407.db2.gz GYZFODQXAKBFLS-MKXGPGLRSA-N 1 0 392.544 0.568 20 30 GCEDRO 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384.461 0.956 20 30 GCEDRO C[NH+]=C(NCc1c(C)noc1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000157018351 1186342102 /nfs/dbraw/zinc/34/21/02/1186342102.db2.gz IQDFXTMOIORBRG-OAHLLOKOSA-N 1 0 376.505 0.995 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)NCCN3CC[NH2+]CC3)CC2)c1 ZINC000582171351 1186450130 /nfs/dbraw/zinc/45/01/30/1186450130.db2.gz JVBJYCSHDZXRES-UHFFFAOYSA-N 1 0 384.484 0.824 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000375682010 1186471317 /nfs/dbraw/zinc/47/13/17/1186471317.db2.gz BJCLBOLGIRRJPN-INIZCTEOSA-N 1 0 384.436 0.602 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H]([C@@H](CO)C3CC3)C3CC3)CC2)o1 ZINC000451600738 1186478259 /nfs/dbraw/zinc/47/82/59/1186478259.db2.gz HKDHTPXREFJAES-LPHOPBHVSA-N 1 0 387.484 0.890 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N2CCN(c3ncc[nH]3)CC2)c1 ZINC000548717869 1186484328 /nfs/dbraw/zinc/48/43/28/1186484328.db2.gz YYSVGXWHRHXEPI-UHFFFAOYSA-N 1 0 375.454 0.836 20 30 GCEDRO 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C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415571459 1188110930 /nfs/dbraw/zinc/11/09/30/1188110930.db2.gz MPAXFCUHUDXVHS-DGCLKSJQSA-N 1 0 386.843 1.532 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000415589958 1188116034 /nfs/dbraw/zinc/11/60/34/1188116034.db2.gz ZKOQNWKBSVWBTE-BJJXKVORSA-N 1 0 396.426 1.407 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)n2)c(Cl)c1 ZINC000415606336 1188123389 /nfs/dbraw/zinc/12/33/89/1188123389.db2.gz RMVRXBBXGFWRMV-IBGZPJMESA-N 1 0 398.854 1.548 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000415677033 1188139274 /nfs/dbraw/zinc/13/92/74/1188139274.db2.gz LUSNLWPLUJVLRJ-ZDUSSCGKSA-N 1 0 384.415 1.409 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000415683447 1188139484 /nfs/dbraw/zinc/13/94/84/1188139484.db2.gz ZKOSVMQSJKBIKK-OAHLLOKOSA-N 1 0 381.440 0.972 20 30 GCEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415691251 1188142134 /nfs/dbraw/zinc/14/21/34/1188142134.db2.gz LTTWINRWZUGBND-ZDUSSCGKSA-N 1 0 387.337 0.588 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000415699128 1188142609 /nfs/dbraw/zinc/14/26/09/1188142609.db2.gz YYTIQGVNXMINEV-CYBMUJFWSA-N 1 0 387.337 0.588 20 30 GCEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415697912 1188142676 /nfs/dbraw/zinc/14/26/76/1188142676.db2.gz XHTQPNPXROMPGE-GOSISDBHSA-N 1 0 386.843 1.533 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000415695707 1188142754 /nfs/dbraw/zinc/14/27/54/1188142754.db2.gz SVHICJDLNLAEML-ZDUSSCGKSA-N 1 0 387.337 0.588 20 30 GCEDRO N#CCc1ccc(NC(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000415703706 1188144389 /nfs/dbraw/zinc/14/43/89/1188144389.db2.gz FNCPTUWVVDSJCO-AWEZNQCLSA-N 1 0 375.860 0.851 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)c(F)c1 ZINC000415755679 1188157673 /nfs/dbraw/zinc/15/76/73/1188157673.db2.gz AGJGGADLFRGVOD-UKRRQHHQSA-N 1 0 382.399 1.032 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000893103081 1188161213 /nfs/dbraw/zinc/16/12/13/1188161213.db2.gz BJTCZUFXXZSOLI-UHFFFAOYSA-N 1 0 399.561 0.437 20 30 GCEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000377893742 1188165021 /nfs/dbraw/zinc/16/50/21/1188165021.db2.gz IXZULEVNLPEJDO-CHWSQXEVSA-N 1 0 379.424 0.819 20 30 GCEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377899398 1189366135 /nfs/dbraw/zinc/36/61/35/1189366135.db2.gz CGLOBHQRKCMMNY-AWEZNQCLSA-N 1 0 381.440 0.878 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415846051 1189379750 /nfs/dbraw/zinc/37/97/50/1189379750.db2.gz KLBZZJQPMQKMIC-IUODEOHRSA-N 1 0 381.440 0.829 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415846054 1189380101 /nfs/dbraw/zinc/38/01/01/1189380101.db2.gz KLBZZJQPMQKMIC-SWLSCSKDSA-N 1 0 381.440 0.829 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452365152 1189469307 /nfs/dbraw/zinc/46/93/07/1189469307.db2.gz NKIYMARLLSPIIQ-GDBMZVCRSA-N 1 0 394.497 0.188 20 30 GCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000641768556 1189649500 /nfs/dbraw/zinc/64/95/00/1189649500.db2.gz CAZTYYNMKJPWCW-KRWDZBQOSA-N 1 0 376.453 0.797 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418362281 1189768818 /nfs/dbraw/zinc/76/88/18/1189768818.db2.gz AZQOEQDAODQMSN-AWEZNQCLSA-N 1 0 379.486 0.430 20 30 GCEDRO C[NH+](C)C1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC1 ZINC000500429019 1189828440 /nfs/dbraw/zinc/82/84/40/1189828440.db2.gz BUBNMZIFJXWYKD-UHFFFAOYSA-N 1 0 387.459 0.946 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)OCCC[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000893390676 1189871763 /nfs/dbraw/zinc/87/17/63/1189871763.db2.gz TTYOUPMCVFWKDC-HNNXBMFYSA-N 1 0 380.466 0.866 20 30 GCEDRO CC[NH+]1CCN(c2cccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)c2)CC1 ZINC000613753451 1189897084 /nfs/dbraw/zinc/89/70/84/1189897084.db2.gz RYDOLNVWOHECIM-UHFFFAOYSA-N 1 0 398.511 0.871 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1)c1ccc(C#N)cc1 ZINC000419276432 1193780133 /nfs/dbraw/zinc/78/01/33/1193780133.db2.gz FLTSWYSMSDMNCF-PBHICJAKSA-N 1 0 383.452 0.158 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1 ZINC000419286087 1193786081 /nfs/dbraw/zinc/78/60/81/1193786081.db2.gz NTPAYMBWEYJXGX-YOEHRIQHSA-N 1 0 385.468 0.582 20 30 GCEDRO C[NH+]=C(NCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1)NCc1ccco1 ZINC000171410581 1193804463 /nfs/dbraw/zinc/80/44/63/1193804463.db2.gz PFWJOWXUOISKPY-UHFFFAOYSA-N 1 0 381.414 0.831 20 30 GCEDRO CCO[C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000982787257 1193896303 /nfs/dbraw/zinc/89/63/03/1193896303.db2.gz OXOUFCLDAHBMAC-GFOCRRMGSA-N 1 0 387.484 0.820 20 30 GCEDRO CC/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261678054 1193923099 /nfs/dbraw/zinc/92/30/99/1193923099.db2.gz HJSISVHJUHRWBR-UHFFFAOYSA-N 1 0 377.518 0.743 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1cccc(OC)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261720638 1193923940 /nfs/dbraw/zinc/92/39/40/1193923940.db2.gz KUKQPEPIDNTHLT-KRWDZBQOSA-N 1 0 386.456 0.386 20 30 GCEDRO C[NH+]=C(NCCc1nnc2n1CCCCC2)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261748751 1193924643 /nfs/dbraw/zinc/92/46/43/1193924643.db2.gz LOEIDRFEQUYSMW-MRXNPFEDSA-N 1 0 386.504 0.929 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261746678 1193924756 /nfs/dbraw/zinc/92/47/56/1193924756.db2.gz LJDRNSYHJOJTJS-ZDUSSCGKSA-N 1 0 398.514 0.278 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261791295 1193926682 /nfs/dbraw/zinc/92/66/82/1193926682.db2.gz QKSLUYPWYQMJHK-HNNXBMFYSA-N 1 0 385.490 0.267 20 30 GCEDRO CC[NH+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261808377 1193927216 /nfs/dbraw/zinc/92/72/16/1193927216.db2.gz SJIHNGUZYNESTA-QGZVFWFLSA-N 1 0 388.447 0.907 20 30 GCEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261834571 1193928004 /nfs/dbraw/zinc/92/80/04/1193928004.db2.gz VQMSVPSLZZYNQX-UHFFFAOYSA-N 1 0 384.488 0.767 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCO[C@H](c3cnn(C)c3)C2)c1 ZINC000261836248 1193928022 /nfs/dbraw/zinc/92/80/22/1193928022.db2.gz WCJBTVODZLMROM-SFHVURJKSA-N 1 0 380.452 0.989 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261842416 1193928717 /nfs/dbraw/zinc/92/87/17/1193928717.db2.gz WJZBRQKZCPXJQC-HNNXBMFYSA-N 1 0 399.503 0.197 20 30 GCEDRO C[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261952107 1193932964 /nfs/dbraw/zinc/93/29/64/1193932964.db2.gz HRRZMORFTONPRH-UHFFFAOYSA-N 1 0 375.521 0.391 20 30 GCEDRO C[NH+]=C(NCC(=O)N(C)CCc1ccccn1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261950229 1193933086 /nfs/dbraw/zinc/93/30/86/1193933086.db2.gz HEVGWGJGZAORJG-UHFFFAOYSA-N 1 0 395.529 0.167 20 30 GCEDRO C[NH+]=C(NCc1ccc(N2CCOCC2)nc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261958208 1193933502 /nfs/dbraw/zinc/93/35/02/1193933502.db2.gz JJIXAGNYPFRZHL-UHFFFAOYSA-N 1 0 395.529 0.503 20 30 GCEDRO C[C@H]1CN(c2ccc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)cn2)CCO1 ZINC000261969665 1193933741 /nfs/dbraw/zinc/93/37/41/1193933741.db2.gz CSJMIRPJFVJZKG-INIZCTEOSA-N 1 0 396.499 0.734 20 30 GCEDRO [NH2+]=C(NCc1cccnc1N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000261969061 1193933874 /nfs/dbraw/zinc/93/38/74/1193933874.db2.gz CIRRZDLUXLPNBO-UHFFFAOYSA-N 1 0 382.472 0.345 20 30 GCEDRO Cc1nnc(CNC(=[NH+]CCN2CCOCC2)N2CCc3ccccc32)n1C ZINC000261985903 1193934558 /nfs/dbraw/zinc/93/45/58/1193934558.db2.gz QDHSJAGCNVKVHV-UHFFFAOYSA-N 1 0 383.500 0.964 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CCN(c3ncccn3)CC2)n1C ZINC000261990119 1193935037 /nfs/dbraw/zinc/93/50/37/1193935037.db2.gz RDEMJATWNAZWII-MRXNPFEDSA-N 1 0 399.503 0.360 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261989506 1193935121 /nfs/dbraw/zinc/93/51/21/1193935121.db2.gz QXZFKCRKMGPUBQ-AWEZNQCLSA-N 1 0 390.488 0.082 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262272463 1193943650 /nfs/dbraw/zinc/94/36/50/1193943650.db2.gz HDBFJYHJNJBZGB-MRXNPFEDSA-N 1 0 375.473 0.748 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCCO1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000262280470 1193944116 /nfs/dbraw/zinc/94/41/16/1193944116.db2.gz IZAOVDNGTBWKLB-IRXDYDNUSA-N 1 0 392.504 0.396 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@H]1CCc2ccccc2C1)N[C@H]1CCC(=O)N(C)C1 ZINC000262328684 1193945215 /nfs/dbraw/zinc/94/52/15/1193945215.db2.gz UNDNJBVTHACOKW-ROUUACIJSA-N 1 0 385.512 0.788 20 30 GCEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262340346 1193945312 /nfs/dbraw/zinc/94/53/12/1193945312.db2.gz CNDBJDGTKKAWAW-CQSZACIVSA-N 1 0 398.508 0.528 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@H]1CCCN(c2ncccn2)C1 ZINC000262354644 1193945803 /nfs/dbraw/zinc/94/58/03/1193945803.db2.gz FREBIKXTLVAGES-CVEARBPZSA-N 1 0 394.545 0.824 20 30 GCEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262372971 1193946679 /nfs/dbraw/zinc/94/66/79/1193946679.db2.gz IZSRVUDITBPUAW-HNNXBMFYSA-N 1 0 380.518 0.389 20 30 GCEDRO C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCN(c2ncccn2)CC1 ZINC000262509946 1193949659 /nfs/dbraw/zinc/94/96/59/1193949659.db2.gz BEEZREPZJHELQH-UHFFFAOYSA-N 1 0 389.485 0.022 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1)C(C)(C)C[NH+](C)C ZINC000513469340 1193954249 /nfs/dbraw/zinc/95/42/49/1193954249.db2.gz ONWIHCLNUCSGCT-HNNXBMFYSA-N 1 0 386.500 0.694 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](CNC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000982866106 1193980619 /nfs/dbraw/zinc/98/06/19/1193980619.db2.gz MOMLJSMUNOPQGM-AZQPHWPRSA-N 1 0 385.508 0.720 20 30 GCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261807224 1194010861 /nfs/dbraw/zinc/01/08/61/1194010861.db2.gz SBVCGTFWRXSZRM-DLBZAZTESA-N 1 0 383.518 0.130 20 30 GCEDRO C=C(C)COCCNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419400677 1194019368 /nfs/dbraw/zinc/01/93/68/1194019368.db2.gz LUYMTJGVCUOCRK-ROUUACIJSA-N 1 0 375.469 0.966 20 30 GCEDRO N#CCC[C@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000419472813 1194038950 /nfs/dbraw/zinc/03/89/50/1194038950.db2.gz KCAPXKDLFLNGOI-ROUUACIJSA-N 1 0 399.495 0.994 20 30 GCEDRO C[NH+]=C(NC[C@@H]1COCCO1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261808828 1194061350 /nfs/dbraw/zinc/06/13/50/1194061350.db2.gz SHCGYKDESLMQJL-MRXNPFEDSA-N 1 0 380.876 0.975 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)nc1 ZINC000419614536 1194073405 /nfs/dbraw/zinc/07/34/05/1194073405.db2.gz NIHCMRWSBUZWHS-MRLCAUJQSA-N 1 0 397.479 0.827 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@@H](C)[NH2+]1 ZINC000419614298 1194073448 /nfs/dbraw/zinc/07/34/48/1194073448.db2.gz 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JBRSRPWVKALJAL-INIZCTEOSA-N 1 0 384.484 0.450 20 30 GCEDRO CCn1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000422489106 1194655868 /nfs/dbraw/zinc/65/58/68/1194655868.db2.gz AARMMJOCZOJOLB-UHFFFAOYSA-N 1 0 382.468 0.981 20 30 GCEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017953 1194717901 /nfs/dbraw/zinc/71/79/01/1194717901.db2.gz XOAIJTMWJQPYKV-APWZRJJASA-N 1 0 383.496 0.788 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017954 1194717909 /nfs/dbraw/zinc/71/79/09/1194717909.db2.gz XOAIJTMWJQPYKV-LPHOPBHVSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423016517 1194717927 /nfs/dbraw/zinc/71/79/27/1194717927.db2.gz TXLHMFCQDYZTRE-MOPGFXCFSA-N 1 0 381.480 0.270 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+] ZINC000423039766 1194721511 /nfs/dbraw/zinc/72/15/11/1194721511.db2.gz RPBDAXXQVCVWFN-APWZRJJASA-N 1 0 383.496 0.788 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QSWXPEGIDYBFSR-IBGZPJMESA-N 1 0 395.507 0.825 20 30 GCEDRO C=CCCCCCN(C)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423340298 1194750208 /nfs/dbraw/zinc/75/02/08/1194750208.db2.gz JHLZNFXBTKSESI-QGZVFWFLSA-N 1 0 378.517 0.862 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1=O ZINC000423494629 1194760900 /nfs/dbraw/zinc/76/09/00/1194760900.db2.gz SLJQNTNKLUFAPZ-CVEARBPZSA-N 1 0 376.501 0.468 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423533092 1194761937 /nfs/dbraw/zinc/76/19/37/1194761937.db2.gz WRNSNDHVMZBLRZ-XUVXKRRUSA-N 1 0 395.507 0.791 20 30 GCEDRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000423539491 1194765003 /nfs/dbraw/zinc/76/50/03/1194765003.db2.gz IKVBGWIHUFIDCS-OAHLLOKOSA-N 1 0 399.499 0.233 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@H]2C)CC1 ZINC000423539468 1194765060 /nfs/dbraw/zinc/76/50/60/1194765060.db2.gz IIMTUMZVRJORKL-OAHLLOKOSA-N 1 0 399.499 0.233 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)C2CC2)cc1 ZINC000423571857 1194768562 /nfs/dbraw/zinc/76/85/62/1194768562.db2.gz PAWPKOJVIGRRAD-IBGZPJMESA-N 1 0 381.480 0.555 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@@]1(C)C[NH3+] ZINC000423572005 1194768591 /nfs/dbraw/zinc/76/85/91/1194768591.db2.gz WOSCGHJFFZTWGE-PUYQSQJYSA-N 1 0 395.463 0.302 20 30 GCEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000423604634 1194772376 /nfs/dbraw/zinc/77/23/76/1194772376.db2.gz INGGCADFXDKOAG-ZDUSSCGKSA-N 1 0 398.423 0.275 20 30 GCEDRO C[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000423604628 1194772511 /nfs/dbraw/zinc/77/25/11/1194772511.db2.gz INGGCADFXDKOAG-CYBMUJFWSA-N 1 0 398.423 0.275 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000423641507 1194776974 /nfs/dbraw/zinc/77/69/74/1194776974.db2.gz ATFNRISXHANWOY-HNNXBMFYSA-N 1 0 387.459 0.946 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1C#N ZINC000423653381 1194779599 /nfs/dbraw/zinc/77/95/99/1194779599.db2.gz OTRAENCQSYRHKJ-WCQYABFASA-N 1 0 376.486 0.168 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)[C@@H](C)C[NH2+]1 ZINC000423655435 1194780055 /nfs/dbraw/zinc/78/00/55/1194780055.db2.gz SHWQCUWDMKHPOS-LPWZSFRNSA-N 1 0 381.436 0.067 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1)[C@@H]1CC[NH2+]C1 ZINC000423666677 1194781940 /nfs/dbraw/zinc/78/19/40/1194781940.db2.gz SLUSFASHTVNEIQ-MOPGFXCFSA-N 1 0 383.496 0.823 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3snc(C)c3C#N)CC2)C1 ZINC000423696202 1194783519 /nfs/dbraw/zinc/78/35/19/1194783519.db2.gz HPTQUCWGLISYPE-AWEZNQCLSA-N 1 0 390.513 0.430 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)c1C#N ZINC000423677877 1194784816 /nfs/dbraw/zinc/78/48/16/1194784816.db2.gz KGLNRIODQOVASC-TXEJJXNPSA-N 1 0 376.486 0.181 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H](CC[NH3+])C3)CC2)c1C#N ZINC000423687426 1194786084 /nfs/dbraw/zinc/78/60/84/1194786084.db2.gz VWGQIUQFXPFUFU-AWEZNQCLSA-N 1 0 390.513 0.559 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423722750 1194789088 /nfs/dbraw/zinc/78/90/88/1194789088.db2.gz PXPXGUZRPWFVAX-VTJXTGGHSA-N 1 0 395.463 0.459 20 30 GCEDRO C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000423726436 1194789675 /nfs/dbraw/zinc/78/96/75/1194789675.db2.gz UFQAWFVBRRUMHP-AWEZNQCLSA-N 1 0 380.452 0.561 20 30 GCEDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H]1C[NH3+] ZINC000423727461 1194789909 /nfs/dbraw/zinc/78/99/09/1194789909.db2.gz JBPCCJRHTCRLMX-KBXCAEBGSA-N 1 0 387.459 0.932 20 30 GCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269553574 1194793147 /nfs/dbraw/zinc/79/31/47/1194793147.db2.gz WERVMNYFNBCNTP-UQZKUAJDSA-N 1 0 386.496 0.610 20 30 GCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)CC2)C1 ZINC001269553573 1194793153 /nfs/dbraw/zinc/79/31/53/1194793153.db2.gz WERVMNYFNBCNTP-SGTQZHETSA-N 1 0 386.496 0.610 20 30 GCEDRO CS(=O)(=O)c1ccc(NCCNC(=O)[C@@H]([NH3+])CCCC#N)c([N+](=O)[O-])c1 ZINC000424066367 1194800465 /nfs/dbraw/zinc/80/04/65/1194800465.db2.gz SITAHAUXHWNMSN-LBPRGKRZSA-N 1 0 383.430 0.548 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424078440 1194800967 /nfs/dbraw/zinc/80/09/67/1194800967.db2.gz PVQXVVDCHNMIJA-OAHLLOKOSA-N 1 0 395.441 0.449 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424060914 1194801574 /nfs/dbraw/zinc/80/15/74/1194801574.db2.gz DMLSAHINSPUCHZ-INIZCTEOSA-N 1 0 380.470 0.345 20 30 GCEDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424086056 1194801987 /nfs/dbraw/zinc/80/19/87/1194801987.db2.gz ZZAHTLJYAXPSJK-INIZCTEOSA-N 1 0 380.470 0.549 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1 ZINC000424092444 1194802160 /nfs/dbraw/zinc/80/21/60/1194802160.db2.gz PCKHPNUKBVFDTC-NVXWUHKLSA-N 1 0 394.497 0.781 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000424247657 1194806657 /nfs/dbraw/zinc/80/66/57/1194806657.db2.gz WPZLVDYWDBNBCL-DLBZAZTESA-N 1 0 389.481 0.451 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000424544397 1194822917 /nfs/dbraw/zinc/82/29/17/1194822917.db2.gz KQONQOAEKFPAFN-AITUJVMLSA-N 1 0 387.480 0.964 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)nn1 ZINC000424550741 1194823899 /nfs/dbraw/zinc/82/38/99/1194823899.db2.gz UFUCPDJRLUKWNL-QZTJIDSGSA-N 1 0 398.467 0.351 20 30 GCEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424552361 1194824284 /nfs/dbraw/zinc/82/42/84/1194824284.db2.gz XTIHFJPDDPQLSN-RBUKOAKNSA-N 1 0 392.463 0.760 20 30 GCEDRO COCC[N@H+](C)CCNC(=O)CC[C@@H]1NC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000505422093 1194845617 /nfs/dbraw/zinc/84/56/17/1194845617.db2.gz OILYBHHSODXECC-INIZCTEOSA-N 1 0 387.440 0.458 20 30 GCEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000430117737 1194866541 /nfs/dbraw/zinc/86/65/41/1194866541.db2.gz ZRODDQKMXHLVEF-UHFFFAOYSA-N 1 0 393.513 0.523 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)C2(c3cccc(C#N)c3)CC2)CC1=O ZINC000425325488 1194911694 /nfs/dbraw/zinc/91/16/94/1194911694.db2.gz XFSMEKZJFJEMRX-SFHVURJKSA-N 1 0 384.480 0.885 20 30 GCEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)CN1CCOCC1 ZINC000505649294 1194912891 /nfs/dbraw/zinc/91/28/91/1194912891.db2.gz QRUZYPRIKDKFOJ-HXUWFJFHSA-N 1 0 375.469 0.943 20 30 GCEDRO C=CCCc1ccccc1NC(=O)C(=O)NC[C@](C)(O)CN1CCOCC1 ZINC000505649293 1194913025 /nfs/dbraw/zinc/91/30/25/1194913025.db2.gz QRUZYPRIKDKFOJ-FQEVSTJZSA-N 1 0 375.469 0.943 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000514850249 1194920455 /nfs/dbraw/zinc/92/04/55/1194920455.db2.gz QNUFPQJKHRZGHB-HNNXBMFYSA-N 1 0 391.497 0.574 20 30 GCEDRO CNC(=O)[C@H]1CCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000515537285 1194982282 /nfs/dbraw/zinc/98/22/82/1194982282.db2.gz YEFZIRYWXDLHHJ-ROUUACIJSA-N 1 0 399.495 0.479 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)n2)c(F)c1 ZINC000516195034 1195030576 /nfs/dbraw/zinc/03/05/76/1195030576.db2.gz IBFZQYXKTYDDCQ-TZMCWYRMSA-N 1 0 383.387 0.659 20 30 GCEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000516608697 1195075589 /nfs/dbraw/zinc/07/55/89/1195075589.db2.gz SMNLSRLBMOVUKK-MRXNPFEDSA-N 1 0 394.497 0.406 20 30 GCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CNS(=O)(=O)c1cccc(C#N)c1 ZINC000516608696 1195075700 /nfs/dbraw/zinc/07/57/00/1195075700.db2.gz SMNLSRLBMOVUKK-INIZCTEOSA-N 1 0 394.497 0.406 20 30 GCEDRO CC(=O)N[C@@H](CS)C(=O)N1CCC[C@]2(CCC[N@@H+](CC(=O)N(C)C)C2)C1 ZINC001270179257 1195076957 /nfs/dbraw/zinc/07/69/57/1195076957.db2.gz JQBIUOZFFDVRGS-YJBOKZPZSA-N 1 0 384.546 0.214 20 30 GCEDRO C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000425877039 1195144265 /nfs/dbraw/zinc/14/42/65/1195144265.db2.gz GZJLDUOYSMSUNN-YJBOKZPZSA-N 1 0 399.495 0.781 20 30 GCEDRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)[C@@H](C#N)Cc1cccs1)C2 ZINC001270292539 1195178102 /nfs/dbraw/zinc/17/81/02/1195178102.db2.gz AOCANZREFQHKRP-CQSZACIVSA-N 1 0 376.482 0.432 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000518007925 1195236757 /nfs/dbraw/zinc/23/67/57/1195236757.db2.gz MQGZIMCXVJFNBT-UHFFFAOYSA-N 1 0 380.470 0.580 20 30 GCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C/N=C1/NS(=O)(=O)c2ccccc21 ZINC000729432101 1195250528 /nfs/dbraw/zinc/25/05/28/1195250528.db2.gz OSNLDHAITAPPSB-AWEZNQCLSA-N 1 0 394.497 0.294 20 30 GCEDRO CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000518148384 1195254660 /nfs/dbraw/zinc/25/46/60/1195254660.db2.gz PZGZCVZKYHPRQL-GOSISDBHSA-N 1 0 399.495 0.623 20 30 GCEDRO Cc1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)cc1S(=O)(=O)NCC#N ZINC000518299753 1195276197 /nfs/dbraw/zinc/27/61/97/1195276197.db2.gz BUAPIIPZXZYGOK-UHFFFAOYSA-N 1 0 375.454 0.515 20 30 GCEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261980090 1195296930 /nfs/dbraw/zinc/29/69/30/1195296930.db2.gz OREGXILBRHDNNQ-GOSISDBHSA-N 1 0 388.476 0.065 20 30 GCEDRO CC[NH+]1CCN([C@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000440090507 1195382115 /nfs/dbraw/zinc/38/21/15/1195382115.db2.gz HHFBXGFMBAYEJG-CYBMUJFWSA-N 1 0 381.458 0.771 20 30 GCEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000440364818 1195411659 /nfs/dbraw/zinc/41/16/59/1195411659.db2.gz MEFJRGPFBNUAAG-ZFWWWQNUSA-N 1 0 396.426 1.517 20 30 GCEDRO CCN(C[C@@H](C)C#N)C(=O)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000415116339 1195427739 /nfs/dbraw/zinc/42/77/39/1195427739.db2.gz XUNOVJIBFVJVOE-INIZCTEOSA-N 1 0 387.484 0.917 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H](C3CC3)C(C)(C)CO)CC2)o1 ZINC000550100840 1195436218 /nfs/dbraw/zinc/43/62/18/1195436218.db2.gz LTAPAVQPSNHEKV-KRWDZBQOSA-N 1 0 375.473 0.890 20 30 GCEDRO CN(CCC#N)S(=O)(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000506941426 1195481501 /nfs/dbraw/zinc/48/15/01/1195481501.db2.gz VFFUHKRAECSTCD-UHFFFAOYSA-N 1 0 379.530 0.874 20 30 GCEDRO Cc1nsc(N2CCN(C[C@H](O)C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1C#N ZINC000519849431 1195577440 /nfs/dbraw/zinc/57/74/40/1195577440.db2.gz LDFYIEGITUHECB-LZWOXQAQSA-N 1 0 379.530 0.915 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1=O ZINC000520259353 1195610955 /nfs/dbraw/zinc/61/09/55/1195610955.db2.gz DCKCKQJYWLYXQA-ROUUACIJSA-N 1 0 386.496 0.521 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)N2CC[NH+](CC)CC2)cc1 ZINC000112917443 1195645759 /nfs/dbraw/zinc/64/57/59/1195645759.db2.gz CCVGRXNEGCQPSJ-MRXNPFEDSA-N 1 0 394.541 0.907 20 30 GCEDRO CC(C)[C@@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000550382402 1195650594 /nfs/dbraw/zinc/65/05/94/1195650594.db2.gz UENJTKKKDLXLSH-LJQANCHMSA-N 1 0 385.512 0.905 20 30 GCEDRO CC(C)[C@H](CNC(=O)C(=O)N(C)Cc1ccc(C#N)cc1)N1CC[NH+](C)CC1 ZINC000550382401 1195650685 /nfs/dbraw/zinc/65/06/85/1195650685.db2.gz UENJTKKKDLXLSH-IBGZPJMESA-N 1 0 385.512 0.905 20 30 GCEDRO CS(=O)(=O)N1CC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000328649611 1195657237 /nfs/dbraw/zinc/65/72/37/1195657237.db2.gz ACSMBNQSDMPTOP-OAHLLOKOSA-N 1 0 395.529 0.831 20 30 GCEDRO CCS(=O)(=O)N1CC(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000328664498 1195658614 /nfs/dbraw/zinc/65/86/14/1195658614.db2.gz BOZOZHNOYICYHX-OAHLLOKOSA-N 1 0 388.534 0.226 20 30 GCEDRO CS(=O)(=O)N1CC[C@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000328669733 1195659355 /nfs/dbraw/zinc/65/93/55/1195659355.db2.gz FJRFSULBPKMUKM-MRXNPFEDSA-N 1 0 388.534 0.226 20 30 GCEDRO CS(=O)(=O)c1cccnc1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000328686694 1195660817 /nfs/dbraw/zinc/66/08/17/1195660817.db2.gz YMWTXAYOYUIZCS-HNNXBMFYSA-N 1 0 396.513 0.943 20 30 GCEDRO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000328804664 1195665362 /nfs/dbraw/zinc/66/53/62/1195665362.db2.gz KKEKVDOXVXZFCQ-INIZCTEOSA-N 1 0 388.534 0.369 20 30 GCEDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000328858318 1195671454 /nfs/dbraw/zinc/67/14/54/1195671454.db2.gz YHPNWLQMSBLEPN-CZUORRHYSA-N 1 0 381.502 0.884 20 30 GCEDRO CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000328892742 1195674684 /nfs/dbraw/zinc/67/46/84/1195674684.db2.gz UMASQWQCBTXWES-IIDMSEBBSA-N 1 0 376.505 0.922 20 30 GCEDRO CCN1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C(=O)C1=O ZINC000328948218 1195677930 /nfs/dbraw/zinc/67/79/30/1195677930.db2.gz MWMRBCCBBQGXKZ-CVEARBPZSA-N 1 0 380.489 0.402 20 30 GCEDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000328921889 1195680158 /nfs/dbraw/zinc/68/01/58/1195680158.db2.gz BVFOKBVHSCFHID-HZPDHXFCSA-N 1 0 382.486 0.635 20 30 GCEDRO CN1CCO[C@@H](CNC(=O)N2CCN(S(C)(=O)=O)c3ccccc3C2)C1 ZINC000328921218 1195680436 /nfs/dbraw/zinc/68/04/36/1195680436.db2.gz MAWPFHXKJMKJEZ-HNNXBMFYSA-N 1 0 382.486 0.513 20 30 GCEDRO O=C(CN1C[C@H](F)C[C@H]1C(=O)N1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000328961216 1195682312 /nfs/dbraw/zinc/68/23/12/1195682312.db2.gz KPACWIMQPWOXRO-PBHICJAKSA-N 1 0 382.480 0.841 20 30 GCEDRO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)C1 ZINC000328979058 1195683386 /nfs/dbraw/zinc/68/33/86/1195683386.db2.gz XGPXFCFMNNIJRF-UHOSZYNNSA-N 1 0 379.549 0.912 20 30 GCEDRO CC(=O)N[C@@H]1CCCN(C(=O)CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000328979057 1195683486 /nfs/dbraw/zinc/68/34/86/1195683486.db2.gz XGPXFCFMNNIJRF-QRQLOZEOSA-N 1 0 379.549 0.912 20 30 GCEDRO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000330638581 1195698169 /nfs/dbraw/zinc/69/81/69/1195698169.db2.gz BBNKNUAHFPUJKU-OAHLLOKOSA-N 1 0 396.513 0.794 20 30 GCEDRO CNS(=O)(=O)c1cccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1C ZINC000330660675 1195699545 /nfs/dbraw/zinc/69/95/45/1195699545.db2.gz QYDQCMWGWGEEIY-UHFFFAOYSA-N 1 0 384.502 0.837 20 30 GCEDRO CN(C)S(=O)(=O)c1cccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000330630714 1195700588 /nfs/dbraw/zinc/70/05/88/1195700588.db2.gz ORHILQRZIDCAPC-UHFFFAOYSA-N 1 0 384.502 0.871 20 30 GCEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000330725487 1195704516 /nfs/dbraw/zinc/70/45/16/1195704516.db2.gz DUXJDMZOOTVEPA-UKRRQHHQSA-N 1 0 379.486 0.944 20 30 GCEDRO C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000330776787 1195707124 /nfs/dbraw/zinc/70/71/24/1195707124.db2.gz ZYNXQPFPILZJAG-HZPDHXFCSA-N 1 0 389.566 0.376 20 30 GCEDRO Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1S(=O)(=O)NCC#N ZINC000330836535 1195709912 /nfs/dbraw/zinc/70/99/12/1195709912.db2.gz WKXZAWQUQQXTSL-HNNXBMFYSA-N 1 0 380.470 0.200 20 30 GCEDRO C[C@H](CNC(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1)C[NH+]1CCN(C)CC1 ZINC000330977690 1195716518 /nfs/dbraw/zinc/71/65/18/1195716518.db2.gz LBJSWNZHSGNJTD-CVEARBPZSA-N 1 0 389.566 0.045 20 30 GCEDRO CC(C)[N@H+](C)CCNC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000331107065 1195719904 /nfs/dbraw/zinc/71/99/04/1195719904.db2.gz HAERVWYHLGPHES-UHFFFAOYSA-N 1 0 385.490 0.769 20 30 GCEDRO CN(CCNC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC(F)(F)F ZINC000331121341 1195720348 /nfs/dbraw/zinc/72/03/48/1195720348.db2.gz MGRVUFAHLHIFBM-ZDUSSCGKSA-N 1 0 379.427 0.633 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000331201950 1195723324 /nfs/dbraw/zinc/72/33/24/1195723324.db2.gz VWKRJZLAMRFAEI-ZACQAIPSSA-N 1 0 399.561 0.129 20 30 GCEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCO[C@H](C(N)=O)C2)CC1 ZINC000331200429 1195723460 /nfs/dbraw/zinc/72/34/60/1195723460.db2.gz WOBLCLPGDSIYOW-AWEZNQCLSA-N 1 0 383.493 0.763 20 30 GCEDRO COCCC(=O)N1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000331217554 1195723922 /nfs/dbraw/zinc/72/39/22/1195723922.db2.gz GKSGNRDOEZNATP-HNNXBMFYSA-N 1 0 384.521 0.705 20 30 GCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1cccc(C#Cc2ccccn2)c1 ZINC000132020871 1195762474 /nfs/dbraw/zinc/76/24/74/1195762474.db2.gz LUHQHAWNSKGCGW-OAQYLSRUSA-N 1 0 380.448 0.849 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)CC1 ZINC000180648346 1195769436 /nfs/dbraw/zinc/76/94/36/1195769436.db2.gz AZYDEESQJGEKJY-WOJBJXKFSA-N 1 0 391.560 0.723 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000579462026 1195772925 /nfs/dbraw/zinc/77/29/25/1195772925.db2.gz WTJNVYKKVVSMGJ-QZTJIDSGSA-N 1 0 381.480 0.807 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000729505491 1195779335 /nfs/dbraw/zinc/77/93/35/1195779335.db2.gz KVLLAAFJOLLXKN-MRXNPFEDSA-N 1 0 385.468 0.493 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2C[N@H+](CCN3C(=O)CCC3=O)C[C@H]21 ZINC001075805250 1195856030 /nfs/dbraw/zinc/85/60/30/1195856030.db2.gz SXQDUCXFQUZOKN-HZMVEIRTSA-N 1 0 375.469 0.649 20 30 GCEDRO N#Cc1ncn(CCNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)n1 ZINC000508359350 1195921828 /nfs/dbraw/zinc/92/18/28/1195921828.db2.gz GMGOIQAEZHGODP-UHFFFAOYSA-N 1 0 381.440 0.891 20 30 GCEDRO CNS(=O)(=O)c1cccc(C[NH2+]C[C@@H](O)COc2ccc(C#N)cc2)c1 ZINC000521227373 1195978514 /nfs/dbraw/zinc/97/85/14/1195978514.db2.gz HIUGFTPYSCQRHG-MRXNPFEDSA-N 1 0 375.450 0.996 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000508388386 1195979439 /nfs/dbraw/zinc/97/94/39/1195979439.db2.gz SJGJUDZEVPHHAU-UHFFFAOYSA-N 1 0 392.485 0.535 20 30 GCEDRO CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000521392191 1195994033 /nfs/dbraw/zinc/99/40/33/1195994033.db2.gz HHNDAGHYEYJAGB-UHFFFAOYSA-N 1 0 398.511 0.935 20 30 GCEDRO N#Cc1ccc(CN2CC[C@H]([NH2+]C3CCC4(CC3)NC(=O)NC4=O)C2=O)cc1 ZINC000521952916 1196028322 /nfs/dbraw/zinc/02/83/22/1196028322.db2.gz OFNYAULMOOBPKX-NGEICVOHSA-N 1 0 381.436 0.770 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087576384 1196049624 /nfs/dbraw/zinc/04/96/24/1196049624.db2.gz DXNKKRKBCSYRON-TWMKSMIVSA-N 1 0 392.500 0.879 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000550502141 1196059990 /nfs/dbraw/zinc/05/99/90/1196059990.db2.gz DFYQZYPCCAJKQH-IHPCNDPISA-N 1 0 378.517 0.588 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)[C@@H]1CC ZINC001087758729 1196074215 /nfs/dbraw/zinc/07/42/15/1196074215.db2.gz IVSVZHXTVPPNKO-MPTYRVRUSA-N 1 0 378.473 0.489 20 30 GCEDRO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000474158909 1196092787 /nfs/dbraw/zinc/09/27/87/1196092787.db2.gz OHPJKVBMMMQKJU-IBGZPJMESA-N 1 0 384.480 0.870 20 30 GCEDRO C#CC[NH+]1CCC(Nc2cc(C(N)=O)nc(NC3CC[NH+](CC#C)CC3)n2)CC1 ZINC000895811818 1196113529 /nfs/dbraw/zinc/11/35/29/1196113529.db2.gz XDQFHICIIHHJOW-UHFFFAOYSA-N 1 0 395.511 0.595 20 30 GCEDRO CCc1nsc(N2CCN(C(NCC(=O)N3CCCCC3)=[NH+]C)CC2)n1 ZINC000179049149 1196125477 /nfs/dbraw/zinc/12/54/77/1196125477.db2.gz MBMLDVDMFFIGEE-UHFFFAOYSA-N 1 0 379.534 0.810 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000896121947 1196127729 /nfs/dbraw/zinc/12/77/29/1196127729.db2.gz NNLWYJJFHDCRHZ-UHFFFAOYSA-N 1 0 399.561 0.292 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H]2C[N@@H+](CCN3C(=O)CCC3=O)CC[C@@H]2C1 ZINC001087970120 1196140698 /nfs/dbraw/zinc/14/06/98/1196140698.db2.gz FRNPRQFEOTVZDO-XDNAFOTISA-N 1 0 389.496 0.897 20 30 GCEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)Cn3c4ccccc4n(C)c3=O)CC2)C1=O ZINC000329052455 1196159970 /nfs/dbraw/zinc/15/99/70/1196159970.db2.gz ACEFPCCAGXPUOR-KRWDZBQOSA-N 1 0 385.468 0.992 20 30 GCEDRO C[C@H](CNC(=O)N1CCC[C@](O)(C(=O)N2CCCC2)C1)C[NH+]1CCN(C)CC1 ZINC000329085309 1196161963 /nfs/dbraw/zinc/16/19/63/1196161963.db2.gz UDDGDOFDANXUMY-YLJYHZDGSA-N 1 0 395.548 0.233 20 30 GCEDRO C[NH+]1CCN(CCNC(=O)c2cccc(CN3CCS(=O)(=O)CC3)c2)CC1 ZINC000329089259 1196162663 /nfs/dbraw/zinc/16/26/63/1196162663.db2.gz IKQZYOHLIHQPAX-UHFFFAOYSA-N 1 0 394.541 0.469 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)c1 ZINC000896575929 1196169288 /nfs/dbraw/zinc/16/92/88/1196169288.db2.gz DIEIEBWLKSRMBS-RHSMWYFYSA-N 1 0 380.514 0.515 20 30 GCEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cn(CC(=O)C(C)(C)C)nn3)CC2)C1=O ZINC000329195325 1196174367 /nfs/dbraw/zinc/17/43/67/1196174367.db2.gz UDPXGPJMCSVPPM-OAHLLOKOSA-N 1 0 390.488 0.893 20 30 GCEDRO CC[NH+]1CCN([C@@H]2CCN(C(=O)NCc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000329192655 1196174569 /nfs/dbraw/zinc/17/45/69/1196174569.db2.gz SZCWHVUKRLABKO-MRXNPFEDSA-N 1 0 395.529 0.460 20 30 GCEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@@H]3COCCN3CC(F)(F)F)CC2)C1=O ZINC000329197897 1196175097 /nfs/dbraw/zinc/17/50/97/1196175097.db2.gz VLWJSNAGOQPUMI-KBPBESRZSA-N 1 0 392.422 0.901 20 30 GCEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)[C@H]3COCCN3CC(F)(F)F)CC2)C1=O ZINC000329197908 1196175186 /nfs/dbraw/zinc/17/51/86/1196175186.db2.gz VLWJSNAGOQPUMI-UONOGXRCSA-N 1 0 392.422 0.901 20 30 GCEDRO C[C@H](NC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1)c1nnc2ccccn21 ZINC000329204511 1196175776 /nfs/dbraw/zinc/17/57/76/1196175776.db2.gz WRXIJIZVVJBMNA-HNNXBMFYSA-N 1 0 385.472 0.944 20 30 GCEDRO CN1CC[C@@H]([NH+]2CCC(NC(=O)c3cccnc3N3CCOCC3)CC2)C1=O ZINC000329203740 1196175792 /nfs/dbraw/zinc/17/57/92/1196175792.db2.gz XISFRCIHSQRFIO-QGZVFWFLSA-N 1 0 387.484 0.918 20 30 GCEDRO C[C@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCN1S(C)(=O)=O ZINC000329277232 1196182301 /nfs/dbraw/zinc/18/23/01/1196182301.db2.gz LMYOJMYGLDOULR-GJZGRUSLSA-N 1 0 388.534 0.367 20 30 GCEDRO C[NH+]1CCN(c2cc(CNC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)ccn2)CC1 ZINC000329332510 1196186148 /nfs/dbraw/zinc/18/61/48/1196186148.db2.gz JSSNXGSAZOVJKE-MRXNPFEDSA-N 1 0 386.500 0.848 20 30 GCEDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]3CC(=O)N(C4CC4)C3)cn2)CC1 ZINC000329356598 1196188147 /nfs/dbraw/zinc/18/81/47/1196188147.db2.gz WFPNQLPBWMWGRB-INIZCTEOSA-N 1 0 386.500 0.848 20 30 GCEDRO C[NH+]1CCN(c2ccc(CNC(=O)NC[C@H]3CC(=O)N(C4CC4)C3)cn2)CC1 ZINC000329356599 1196188359 /nfs/dbraw/zinc/18/83/59/1196188359.db2.gz WFPNQLPBWMWGRB-MRXNPFEDSA-N 1 0 386.500 0.848 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)CN1C(=O)Cn2c(cc3ccccc32)C1=O ZINC000329373475 1196189769 /nfs/dbraw/zinc/18/97/69/1196189769.db2.gz NAJNOGZQLCBHEA-HNNXBMFYSA-N 1 0 383.452 0.826 20 30 GCEDRO CC(C)[C@H](CNC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C)[NH+]1CCN(C)CC1 ZINC000329408998 1196192704 /nfs/dbraw/zinc/19/27/04/1196192704.db2.gz BCULRJXMZCNFJS-QRVBRYPASA-N 1 0 381.565 0.967 20 30 GCEDRO CN(C)C(=O)[C@@H]1CC[C@@H](CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)O1 ZINC000329414602 1196193493 /nfs/dbraw/zinc/19/34/93/1196193493.db2.gz YTWZFMRWNPECJA-IRXDYDNUSA-N 1 0 382.505 0.580 20 30 GCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(S(=O)(=O)NCC2CC2)c1 ZINC000329422334 1196194401 /nfs/dbraw/zinc/19/44/01/1196194401.db2.gz FMJZQHWPXVAJFH-MRXNPFEDSA-N 1 0 380.514 0.925 20 30 GCEDRO CN1CCN(C(=O)c2cc(NC(=O)NC[C@@H]3C[N@H+](C)CCN3C)ccn2)CC1 ZINC000329472469 1196199422 /nfs/dbraw/zinc/19/94/22/1196199422.db2.gz ZKEDXXTUZYHPBG-MRXNPFEDSA-N 1 0 389.504 0.041 20 30 GCEDRO C[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCN1S(C)(=O)=O ZINC000329491067 1196200860 /nfs/dbraw/zinc/20/08/60/1196200860.db2.gz SQYINFHKSQSCEY-NUEKZKHPSA-N 1 0 388.534 0.244 20 30 GCEDRO CCc1nsc(N2CCCN(C(=O)NC[C@@H]3C[N@H+](C)CCN3C)CC2)n1 ZINC000329647514 1196215041 /nfs/dbraw/zinc/21/50/41/1196215041.db2.gz AQRBKTCATPGAJZ-CQSZACIVSA-N 1 0 381.550 0.772 20 30 GCEDRO CN(C)C(=O)CNC(N[C@@H]1CCO[C@]2(CCSC2)C1)=[NH+]C1CCOCC1 ZINC000262324596 1196215772 /nfs/dbraw/zinc/21/57/72/1196215772.db2.gz STQIWNFKTCSNPT-CRAIPNDOSA-N 1 0 384.546 0.844 20 30 GCEDRO C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCCN3CCNC(=O)C3)CC2)C[C@H](C)O1 ZINC000329699352 1196222969 /nfs/dbraw/zinc/22/29/69/1196222969.db2.gz GCVYBYMXTRTOGQ-IYBDPMFKSA-N 1 0 381.521 0.994 20 30 GCEDRO CC[NH+]1CCC(NC(=O)CN2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 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/nfs/dbraw/zinc/24/81/87/1196248187.db2.gz CQNDULDKXMRFNB-KDOFPFPSSA-N 1 0 395.504 0.399 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCSC1 ZINC000330086807 1196252023 /nfs/dbraw/zinc/25/20/23/1196252023.db2.gz SJHXHLAJPTVKEJ-IBGZPJMESA-N 1 0 397.589 0.968 20 30 GCEDRO Cn1cnc2c(c1=O)CCN(C(=O)NCc1ccc(N3CC[NH+](C)CC3)nc1)C2 ZINC000330117305 1196253939 /nfs/dbraw/zinc/25/39/39/1196253939.db2.gz WVBRDYXTYNUNPR-UHFFFAOYSA-N 1 0 397.483 0.399 20 30 GCEDRO C[C@H](NC(=O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)C(=O)N1CCCCC1 ZINC000330127282 1196254955 /nfs/dbraw/zinc/25/49/55/1196254955.db2.gz MTNDVQGZTIHIOS-DLBZAZTESA-N 1 0 393.532 0.582 20 30 GCEDRO CCN(C[C@@H](C)C#N)S(=O)(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000367132244 1196256224 /nfs/dbraw/zinc/25/62/24/1196256224.db2.gz ZSKCJGSAMOHQCE-HNNXBMFYSA-N 1 0 380.518 0.649 20 30 GCEDRO CN1CCN(C(=O)C2CCN(C(=O)NC[C@@]3([NH+](C)C)CCSC3)CC2)CC1 ZINC000330165566 1196257577 /nfs/dbraw/zinc/25/75/77/1196257577.db2.gz UQHLMDBMVOPJME-IBGZPJMESA-N 1 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CC[NH+](CC)CCN(C)C(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@H](CS)NC(C)=O ZINC001271272332 1196293189 /nfs/dbraw/zinc/29/31/89/1196293189.db2.gz OVKIIRMHCOCSKF-RLFYNMQTSA-N 1 0 384.546 0.212 20 30 GCEDRO CC[NH+](CC)CCN(C)C(=O)[C@H]1CC12CN(C(=O)[C@H](CS)NC(C)=O)C2 ZINC001271272079 1196293236 /nfs/dbraw/zinc/29/32/36/1196293236.db2.gz JSOFJQLXRLIPSC-CABCVRRESA-N 1 0 384.546 0.070 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262369392 1196320230 /nfs/dbraw/zinc/32/02/30/1196320230.db2.gz IHNCVIYDUJTWHN-YOEHRIQHSA-N 1 0 397.520 0.980 20 30 GCEDRO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000281708256 1196324858 /nfs/dbraw/zinc/32/48/58/1196324858.db2.gz CQQJJYOEQPVEMR-NJAFHUGGSA-N 1 0 380.514 0.795 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000281717837 1196325418 /nfs/dbraw/zinc/32/54/18/1196325418.db2.gz WXPOJOYMKDLAJR-UHFFFAOYSA-N 1 0 381.498 0.680 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)COCC[NH+](C)C ZINC001719900328 1196392813 /nfs/dbraw/zinc/39/28/13/1196392813.db2.gz VXUASXAMJHPBKG-BCDMZGRMSA-N 1 0 379.501 0.794 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(Cn4cncn4)CC3)CC2)o1 ZINC000186260841 1196394439 /nfs/dbraw/zinc/39/44/39/1196394439.db2.gz IOTMKFWQLXARNJ-UHFFFAOYSA-N 1 0 398.471 0.507 20 30 GCEDRO C=C(C)COCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000475476101 1196449860 /nfs/dbraw/zinc/44/98/60/1196449860.db2.gz FCXCJSYZLNKOFK-UHFFFAOYSA-N 1 0 390.440 0.804 20 30 GCEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000179081320 1196462857 /nfs/dbraw/zinc/46/28/57/1196462857.db2.gz BCVHKZDRQIINSE-LJQANCHMSA-N 1 0 379.549 0.865 20 30 GCEDRO COc1ccccc1[C@H](CNC(=O)C(=O)Nc1ccn(CCC#N)n1)N(C)C ZINC000444589985 1196505267 /nfs/dbraw/zinc/50/52/67/1196505267.db2.gz APOOVVPUXVYCGG-HNNXBMFYSA-N 1 0 384.440 1.163 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000524464272 1196597445 /nfs/dbraw/zinc/59/74/45/1196597445.db2.gz IIWIJNDBCMOXOX-QGZVFWFLSA-N 1 0 395.548 0.505 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)CCNS(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000524686444 1196616617 /nfs/dbraw/zinc/61/66/17/1196616617.db2.gz WUCLTMFNHMADMI-UHFFFAOYSA-N 1 0 395.441 0.367 20 30 GCEDRO C[NH+]1CCC(O)(CNC(=O)C(=O)Nc2cc(C#N)ccc2OC(F)F)CC1 ZINC000524908663 1196636720 /nfs/dbraw/zinc/63/67/20/1196636720.db2.gz RRHAMQLYMQMRIC-UHFFFAOYSA-N 1 0 382.367 0.671 20 30 GCEDRO CN(CC(=O)NCC[N@@H+]1CCCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000525877847 1196719689 /nfs/dbraw/zinc/71/96/89/1196719689.db2.gz VLSRZTNMULVERC-UHFFFAOYSA-N 1 0 380.470 0.017 20 30 GCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528404234 1196856005 /nfs/dbraw/zinc/85/60/05/1196856005.db2.gz HLIKOIALRVQGOD-LJQANCHMSA-N 1 0 394.475 0.524 20 30 GCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528404232 1196856320 /nfs/dbraw/zinc/85/63/20/1196856320.db2.gz HLIKOIALRVQGOD-IBGZPJMESA-N 1 0 394.475 0.524 20 30 GCEDRO COC[C@@]1(C(=O)OC)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1 ZINC000451334967 1196989163 /nfs/dbraw/zinc/98/91/63/1196989163.db2.gz MCEGMCGMXXTHTM-QFBILLFUSA-N 1 0 380.489 0.190 20 30 GCEDRO Cc1nn(C)c(N2CCN(C(=O)N[C@@H](C)CN3CC[NH+](C)CC3)CC2)c1C#N ZINC000530460835 1196989917 /nfs/dbraw/zinc/98/99/17/1196989917.db2.gz NAKGPNNAEDDECM-HNNXBMFYSA-N 1 0 388.520 0.068 20 30 GCEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451539260 1196998111 /nfs/dbraw/zinc/99/81/11/1196998111.db2.gz UQVAABGXTXJNLN-FUHWJXTLSA-N 1 0 393.532 0.653 20 30 GCEDRO C[C@@H]1CN(S(=O)(=O)N2CCO[C@H](C#N)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000451929744 1197024457 /nfs/dbraw/zinc/02/44/57/1197024457.db2.gz QCBUUASDUSWUJL-FUHWJXTLSA-N 1 0 378.498 0.909 20 30 GCEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1F ZINC000451994327 1197030051 /nfs/dbraw/zinc/03/00/51/1197030051.db2.gz WUZNIGBEQZLNBU-UHFFFAOYSA-N 1 0 386.449 0.546 20 30 GCEDRO CCS(=O)(=O)NCCCNC1=[NH+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN12 ZINC000304998694 1197038553 /nfs/dbraw/zinc/03/85/53/1197038553.db2.gz GOQFJSJPAIUAMG-ZDUSSCGKSA-N 1 0 389.522 0.196 20 30 GCEDRO C[NH+](C)C1(CNC2=[NH+]C[C@@H]3CN(C(=O)OC(C)(C)C)CCN23)CCOCC1 ZINC000305049827 1197042151 /nfs/dbraw/zinc/04/21/51/1197042151.db2.gz ZXJFGFLRIYWVME-OAHLLOKOSA-N 1 0 381.521 0.978 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCCn3cc([N+](=O)[O-])cn3)=[NH+]C[C@@H]2C1 ZINC000305148916 1197047462 /nfs/dbraw/zinc/04/74/62/1197047462.db2.gz ODIZNOXVBWSWNG-GFCCVEGCSA-N 1 0 379.421 0.672 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CCCO)cc1 ZINC000452350850 1197053708 /nfs/dbraw/zinc/05/37/08/1197053708.db2.gz OVWKAVSMVRWGNQ-INIZCTEOSA-N 1 0 381.498 0.728 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCC3CCS(=O)(=O)CC3)=[NH+]C[C@H]2C1 ZINC000305314664 1197060141 /nfs/dbraw/zinc/06/01/41/1197060141.db2.gz SNODFUCLXPCXLT-AWEZNQCLSA-N 1 0 386.518 0.692 20 30 GCEDRO 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/nfs/dbraw/zinc/73/45/31/1205734531.db2.gz DLYQVLYYMKQSHF-ACJLOTCBSA-N 1 0 376.482 0.858 20 30 GCEDRO Cn1cc(C(=O)NC[C@H]2CCC[N@@H+]2C[C@@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202165 1205735662 /nfs/dbraw/zinc/73/56/62/1205735662.db2.gz CPSLHCFUFQEUBU-SJORKVTESA-N 1 0 375.473 0.686 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CCO[C@H](C[NH+]2CCCC2)C1)c1ccn[nH]1 ZINC001177263559 1205765501 /nfs/dbraw/zinc/76/55/01/1205765501.db2.gz VSIVZLCDDRTDJF-GICLCMKGSA-N 1 0 393.444 0.017 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)N1CCCc2ccc(C[NH3+])nc21)c1cc[nH]n1 ZINC001177264245 1205765879 /nfs/dbraw/zinc/76/58/79/1205765879.db2.gz YIUVQTUYARMNKV-KQWNVCNZSA-N 1 0 386.412 0.527 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)N[C@H]1CC[N@@H+](C(C)C)C[C@H]1C)c1cc[nH]n1 ZINC001177267070 1205766156 /nfs/dbraw/zinc/76/61/56/1205766156.db2.gz SAPYCRSIWCTRKM-LHKXHVCISA-N 1 0 379.461 0.929 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)N(CC[NH3+])c1ccc(F)cc1)c1cc[nH]n1 ZINC001177267289 1205766179 /nfs/dbraw/zinc/76/61/79/1205766179.db2.gz VDSJLSRERSGVNI-JWGURIENSA-N 1 0 377.376 0.825 20 30 GCEDRO C#CC[NH+]1CCC(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC001178208794 1205783890 /nfs/dbraw/zinc/78/38/90/1205783890.db2.gz WJKGAIUBGPXWDS-UHFFFAOYSA-N 1 0 376.438 1.000 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@@H]1CCCO1 ZINC000773787519 1205796908 /nfs/dbraw/zinc/79/69/08/1205796908.db2.gz IBCAQZIZOKDCTF-IRXDYDNUSA-N 1 0 386.452 0.812 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCCO1 ZINC000773799192 1205801862 /nfs/dbraw/zinc/80/18/62/1205801862.db2.gz RPKAPBFNTWDKTF-OALUTQOASA-N 1 0 384.480 0.670 20 30 GCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1NC(=O)CC12CN(C(=O)OC(C)(C)C)C2 ZINC001179224449 1205806453 /nfs/dbraw/zinc/80/64/53/1205806453.db2.gz KEIGXTBKIRIUBX-GOEBONIOSA-N 1 0 392.500 0.879 20 30 GCEDRO CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C#N)C2)CC1 ZINC001179649826 1205812682 /nfs/dbraw/zinc/81/26/82/1205812682.db2.gz AXHKKIFZSAFPDC-FUHWJXTLSA-N 1 0 382.530 0.189 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CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCC(C(=O)N[C@H](C#N)C(N)=O)CC2)C1 ZINC001183162387 1205888955 /nfs/dbraw/zinc/88/89/55/1205888955.db2.gz OXOZYZLXVPOMTO-ZIAGYGMSSA-N 1 0 379.461 0.201 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)C1 ZINC001184483825 1205911127 /nfs/dbraw/zinc/91/11/27/1205911127.db2.gz VNYMEBFFGMYEKL-MJQMVNBJSA-N 1 0 379.501 0.653 20 30 GCEDRO C[NH+](C)[C@H](CNC(=O)C(=O)NCCNc1ccc(C#N)cn1)Cc1ccccc1 ZINC000774917695 1205928204 /nfs/dbraw/zinc/92/82/04/1205928204.db2.gz HGFFMQZABMOPHG-SFHVURJKSA-N 1 0 394.479 0.770 20 30 GCEDRO N#Cc1ccc(I)c(C(=O)n2cnc(C[NH3+])cc2=N)c1 ZINC001185815529 1205930083 /nfs/dbraw/zinc/93/00/83/1205930083.db2.gz NPOYJDHKXPGSAY-UHFFFAOYSA-N 1 0 379.161 0.986 20 30 GCEDRO C[NH+]1CCN(Cc2ccccc2C(=O)Nc2nc(C#N)c(C#N)nc2N)CC1 ZINC001188338159 1205979869 /nfs/dbraw/zinc/97/98/69/1205979869.db2.gz GDYNRQHFWRKRAF-UHFFFAOYSA-N 1 0 376.424 0.802 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@H](C)c2ccc(OCCO)c(OC)c2)CC1 ZINC000775195083 1205991369 /nfs/dbraw/zinc/99/13/69/1205991369.db2.gz IQIWRJSLGXQJQR-MRXNPFEDSA-N 1 0 375.469 0.494 20 30 GCEDRO C#CCN1CCN(C(=O)C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000775239142 1206002122 /nfs/dbraw/zinc/00/21/22/1206002122.db2.gz WNQYMIVHPDELID-HNNXBMFYSA-N 1 0 378.498 0.023 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2[C@H](C)C(=O)NC(=O)NCC ZINC001110423921 1206029602 /nfs/dbraw/zinc/02/96/02/1206029602.db2.gz AQZLAHIUJACFTD-FPCVCCKLSA-N 1 0 380.489 0.925 20 30 GCEDRO C[NH+](C)CCNC(=O)c1noc2c1CN(c1ncnc3[nH]cc(C#N)c31)CC2 ZINC001164749718 720944365 /nfs/dbraw/zinc/94/43/65/720944365.db2.gz IIQLHYZPLURWAR-UHFFFAOYSA-N 1 0 380.412 0.672 20 30 GCEDRO C=CCNC(=O)c1cccnc1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164753424 720963064 /nfs/dbraw/zinc/96/30/64/720963064.db2.gz DWVKOCOSACETGW-UHFFFAOYSA-N 1 0 398.467 0.840 20 30 GCEDRO COc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)ncc1C#N ZINC001164868542 721267414 /nfs/dbraw/zinc/26/74/14/721267414.db2.gz BCKYUXFCFRYCQT-UHFFFAOYSA-N 1 0 388.472 0.364 20 30 GCEDRO CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3ncc4c(C#N)c[nH]c4n3)CC2)C1 ZINC001164873569 721280817 /nfs/dbraw/zinc/28/08/17/721280817.db2.gz OOMDTLQDEFRAMU-UHFFFAOYSA-N 1 0 397.483 0.837 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCNc2cncc(-c3nn[nH]n3)n2)CC1 ZINC001573281972 946682310 /nfs/dbraw/zinc/68/23/10/946682310.db2.gz DNIDURCQNISRGV-UHFFFAOYSA-N 1 0 383.460 0.262 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NCC2(Nc3cnc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC001573282244 946688011 /nfs/dbraw/zinc/68/80/11/946688011.db2.gz HFUOUUOVEMAXSH-UHFFFAOYSA-N 1 0 381.444 0.063 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2C[C@@H](Nc3nccnc3-c3nn[nH]n3)C2)CC1 ZINC001573282273 946688134 /nfs/dbraw/zinc/68/81/34/946688134.db2.gz HTSWMXQEGYFMLL-OKILXGFUSA-N 1 0 381.444 0.061 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCN(c3ncccc3-c3nn[nH]n3)[C@@H]2C)CC1 ZINC001573283604 946719413 /nfs/dbraw/zinc/71/94/13/946719413.db2.gz UHAPAQVHPLMNCF-PBHICJAKSA-N 1 0 394.483 0.690 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NC2CN(Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC001573283972 946733238 /nfs/dbraw/zinc/73/32/38/946733238.db2.gz YJLNSULUQZTTTD-UHFFFAOYSA-N 1 0 379.468 0.512 20 30 GCEDRO C#CCO[C@H](C)C(=O)N(C)CC(C)(C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573285669 946784644 /nfs/dbraw/zinc/78/46/44/946784644.db2.gz KTSCIENCUIMNKN-CQSZACIVSA-N 1 0 385.472 0.927 20 30 GCEDRO C#CC[NH2+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)CC2)C1 ZINC001573286003 946791627 /nfs/dbraw/zinc/79/16/27/946791627.db2.gz RFYOSGFLQULHRK-WBVHZDCISA-N 1 0 383.456 0.817 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCNC(=O)c1cc(-c2nn[nH]n2)c[nH]1)C(C)C ZINC001573285974 946792123 /nfs/dbraw/zinc/79/21/23/946792123.db2.gz QJXAOSDLKHPGFK-TZMCWYRMSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573286052 946794682 /nfs/dbraw/zinc/79/46/82/946794682.db2.gz SLLUZSRURQURHC-QLFBSQMISA-N 1 0 383.456 0.618 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N(CC)CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001573286156 946797679 /nfs/dbraw/zinc/79/76/79/946797679.db2.gz VBJCZIDKXBLTRG-HNNXBMFYSA-N 1 0 387.513 0.964 20 30 GCEDRO C#Cc1ccc(C(=O)N(C)CCOCCNc2cc[nH+]cc2-c2nn[nH]n2)cc1 ZINC001573287353 946835646 /nfs/dbraw/zinc/83/56/46/946835646.db2.gz BIXYOGWRACRZHP-UHFFFAOYSA-N 1 0 391.435 0.866 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@H](C)[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573287535 946841789 /nfs/dbraw/zinc/84/17/89/946841789.db2.gz JJUUICGDPSFEDX-QWHCGFSZSA-N 1 0 376.424 0.987 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)cc1 ZINC001573288067 946856410 /nfs/dbraw/zinc/85/64/10/946856410.db2.gz MKSGSVZCVUPNGJ-GOSISDBHSA-N 1 0 376.420 0.729 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@@H]2[C@H]3CN(c4cc(C)[nH+]cc4-c4nn[nH]n4)C[C@H]32)nc1 ZINC001573290172 946897568 /nfs/dbraw/zinc/89/75/68/946897568.db2.gz GFWHUIXMYSROBR-HWWDLCQESA-N 1 0 386.419 0.811 20 30 GCEDRO C#Cc1cncc(C(=O)N2C[C@H](C)[C@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573290149 946898825 /nfs/dbraw/zinc/89/88/25/946898825.db2.gz FUFRXQQCTAZURL-XJKSGUPXSA-N 1 0 388.435 0.880 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573561072 946960387 /nfs/dbraw/zinc/96/03/87/946960387.db2.gz ILZLAQMGLRKMKG-RISCZKNCSA-N 1 0 375.408 0.417 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573294010 946975181 /nfs/dbraw/zinc/97/51/81/946975181.db2.gz RHAPBJFPBYZXMG-CYBMUJFWSA-N 1 0 388.476 0.670 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001573562765 946980419 /nfs/dbraw/zinc/98/04/19/946980419.db2.gz XPHPGRNNAPVRIJ-AAEUAGOBSA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573565540 947009796 /nfs/dbraw/zinc/00/97/96/947009796.db2.gz RTKVBHDMINXGQB-LLVKDONJSA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573565946 947018377 /nfs/dbraw/zinc/01/83/77/947018377.db2.gz XHUVKETVHCSBFV-GFCCVEGCSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573566756 947031277 /nfs/dbraw/zinc/03/12/77/947031277.db2.gz GLYVFVZQWSYJTO-WMLDXEAASA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567680 947052783 /nfs/dbraw/zinc/05/27/83/947052783.db2.gz QVAVODNLIMNKJE-KPZWWZAWSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C1CC(C)(C(=O)NC[C@@]2(O)CCN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001573296938 947057534 /nfs/dbraw/zinc/05/75/34/947057534.db2.gz BVAIBBFIYDVORF-IBGZPJMESA-N 1 0 383.456 0.984 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573568193 947068212 /nfs/dbraw/zinc/06/82/12/947068212.db2.gz ZDIBHLYFWRXKIC-NWDGAFQWSA-N 1 0 375.458 0.795 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573568195 947068398 /nfs/dbraw/zinc/06/83/98/947068398.db2.gz ZDIBHLYFWRXKIC-VXGBXAGGSA-N 1 0 375.458 0.795 20 30 GCEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573300357 947109460 /nfs/dbraw/zinc/10/94/60/947109460.db2.gz OVIIDFALGUKWMY-GUYCJALGSA-N 1 0 385.472 0.932 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001573574343 947129025 /nfs/dbraw/zinc/12/90/25/947129025.db2.gz RICRJLJOOMJIGQ-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(Nc2ncc(-c3nn[nH]n3)cc2F)CC1 ZINC001573583752 947206987 /nfs/dbraw/zinc/20/69/87/947206987.db2.gz OJQIETCEBGSNDI-LLVKDONJSA-N 1 0 387.423 0.553 20 30 GCEDRO C=CCCOCC(=O)NC[C@H]1COCCN1c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573336524 947505220 /nfs/dbraw/zinc/50/52/20/947505220.db2.gz OKZLFYXIBMQXFF-AWEZNQCLSA-N 1 0 387.444 0.484 20 30 GCEDRO C=CCOCC[NH2+]C[C@@H]1CN(C(=O)c2c[nH]c(-c3nn[nH]n3)c2)CCCO1 ZINC001573348579 947586867 /nfs/dbraw/zinc/58/68/67/947586867.db2.gz SCOVUMCSURAPDC-CQSZACIVSA-N 1 0 375.433 0.218 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@H]2CC[C@@H](Nc3cc[nH+]cc3-c3nn[nH]n3)C2)nn1 ZINC001573351822 947621050 /nfs/dbraw/zinc/62/10/50/947621050.db2.gz VNTKALWXFIRLDS-QWHCGFSZSA-N 1 0 394.443 0.472 20 30 GCEDRO C[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124580 952541186 /nfs/dbraw/zinc/54/11/86/952541186.db2.gz NQXZLGWYOCYQQP-DGCLKSJQSA-N 1 0 377.412 0.704 20 30 GCEDRO C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C#N)cc2C(=O)[O-])C[C@H]1C[NH+](C)C ZINC001598246478 991004551 /nfs/dbraw/zinc/00/45/51/991004551.db2.gz PAMOFGGUVWZCGL-HUUCEWRRSA-N 1 0 394.497 0.616 20 30 GCEDRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[NH+](CC2CC2)CC1 ZINC000328661214 530154109 /nfs/dbraw/zinc/15/41/09/530154109.db2.gz WPMKRCUFCLGPKD-UHFFFAOYSA-N 1 0 376.548 0.307 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000571396456 530117896 /nfs/dbraw/zinc/11/78/96/530117896.db2.gz DPDOGNDCRZULPU-HNNXBMFYSA-N 1 0 383.290 0.975 20 30 GCEDRO C[NH+]=C(NC[C@H](C)SC)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261651910 530128970 /nfs/dbraw/zinc/12/89/70/530128970.db2.gz ACIQVDLGOLMAIV-LBPRGKRZSA-N 1 0 375.520 0.449 20 30 GCEDRO N#Cc1cccc(CS(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261606494 530190003 /nfs/dbraw/zinc/19/00/03/530190003.db2.gz ARHNEKHMXVIYRS-CQSZACIVSA-N 1 0 376.404 0.814 20 30 GCEDRO Cc1ccc(C#N)cc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261854914 530194157 /nfs/dbraw/zinc/19/41/57/530194157.db2.gz RTSQZFJFWKBMLW-AWEZNQCLSA-N 1 0 376.404 0.981 20 30 GCEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000518396454 530227968 /nfs/dbraw/zinc/22/79/68/530227968.db2.gz FVCHXFAKHNULME-CYBMUJFWSA-N 1 0 386.499 0.251 20 30 GCEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000569355763 530228397 /nfs/dbraw/zinc/22/83/97/530228397.db2.gz YESPRZKZNNQBDY-ZDUSSCGKSA-N 1 0 386.499 0.251 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1Br ZINC000583154450 530334244 /nfs/dbraw/zinc/33/42/44/530334244.db2.gz BMKYIOPBFFTCBP-MFKMUULPSA-N 1 0 399.270 0.253 20 30 GCEDRO N#CCc1ccccc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000601343355 530379096 /nfs/dbraw/zinc/37/90/96/530379096.db2.gz NSBSAVOSJDUFFJ-AWEZNQCLSA-N 1 0 376.404 0.867 20 30 GCEDRO N#CCc1ccccc1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000601343356 530379220 /nfs/dbraw/zinc/37/92/20/530379220.db2.gz NSBSAVOSJDUFFJ-CQSZACIVSA-N 1 0 376.404 0.867 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000591767210 530410768 /nfs/dbraw/zinc/41/07/68/530410768.db2.gz ZMJCFGQTJRJFMM-CABCVRRESA-N 1 0 386.543 0.697 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000593527212 530422189 /nfs/dbraw/zinc/42/21/89/530422189.db2.gz HVOQTGSIWZZMGC-UHFFFAOYSA-N 1 0 376.548 0.315 20 30 GCEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638796 530433380 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20 30 GCEDRO C[NH+]=C(NCCOc1ncccc1C(F)(F)F)NCCN1CCOCC1 ZINC000160522585 1185253313 /nfs/dbraw/zinc/25/33/13/1185253313.db2.gz UHUYQJDQNZLDKJ-UHFFFAOYSA-N 1 0 375.395 0.976 20 30 GCEDRO N#Cc1cccc(S(=O)(=O)N2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261863851 1185278575 /nfs/dbraw/zinc/27/85/75/1185278575.db2.gz NJOYCFAOFFONDD-NVXWUHKLSA-N 1 0 376.482 0.827 20 30 GCEDRO N#Cc1cccc(S(=O)(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261863847 1185279019 /nfs/dbraw/zinc/27/90/19/1185279019.db2.gz NJOYCFAOFFONDD-DOTOQJQBSA-N 1 0 376.482 0.827 20 30 GCEDRO COCCOc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cn1 ZINC000275926167 1185291402 /nfs/dbraw/zinc/29/14/02/1185291402.db2.gz VCKKMYSZPCAFMD-UHFFFAOYSA-N 1 0 377.445 0.739 20 30 GCEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1)c1ccc(F)c(F)c1 ZINC000580660607 1185300327 /nfs/dbraw/zinc/30/03/27/1185300327.db2.gz RYYBTQYDFIHRBL-WQVCFCJDSA-N 1 0 392.406 0.469 20 30 GCEDRO COC[C@]1(CNC(=O)N2CCN(c3c(C#N)c(C)nn3C)CC2)CCC[NH2+]1 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C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000158292955 1186529544 /nfs/dbraw/zinc/52/95/44/1186529544.db2.gz LXMYYQNFXRGYKU-ZFWWWQNUSA-N 1 0 376.482 0.826 20 30 GCEDRO C[NH+]=C(NCc1cccnc1-n1ccnc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000114086517 1186573596 /nfs/dbraw/zinc/57/35/96/1186573596.db2.gz LYDMVEAQGBKBQB-KRWDZBQOSA-N 1 0 397.483 0.666 20 30 GCEDRO Cc1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ccc1C#N ZINC000277798198 1186613794 /nfs/dbraw/zinc/61/37/94/1186613794.db2.gz GXWVNCGRTMJWOS-KRWDZBQOSA-N 1 0 376.482 0.794 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000582932351 1186731822 /nfs/dbraw/zinc/73/18/22/1186731822.db2.gz BPNXUHRYHIZDKN-AWEZNQCLSA-N 1 0 387.488 0.388 20 30 GCEDRO CN(C)C(=O)[C@H]1CC[C@@H](CNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)O1 ZINC000091537402 1186750715 /nfs/dbraw/zinc/75/07/15/1186750715.db2.gz YVMLJCGKHHJEBJ-DLBZAZTESA-N 1 0 377.464 0.898 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CC[C@@H](C[NH+](CC)CC)C1)c1ccn[nH]1 ZINC000278064791 1186765124 /nfs/dbraw/zinc/76/51/24/1186765124.db2.gz VHNGYAHFPZJJPO-HGNXGAGXSA-N 1 0 379.461 0.884 20 30 GCEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)NC1CCN(C(C)=O)CC1 ZINC000262237785 1186784837 /nfs/dbraw/zinc/78/48/37/1186784837.db2.gz NLARXMZHNIEXJK-LJQANCHMSA-N 1 0 397.589 0.760 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000248151189 1186803688 /nfs/dbraw/zinc/80/36/88/1186803688.db2.gz QUQPPQJZZWSQFZ-YDHLFZDLSA-N 1 0 376.482 0.966 20 30 GCEDRO C[C@H](C#N)CN(C)S(=O)(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583250724 1186807559 /nfs/dbraw/zinc/80/75/59/1186807559.db2.gz SDYVFHMUQWFEGR-SJLPKXTDSA-N 1 0 379.530 0.901 20 30 GCEDRO C[C@@H](C#N)CN(C)S(=O)(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583250725 1186807853 /nfs/dbraw/zinc/80/78/53/1186807853.db2.gz SDYVFHMUQWFEGR-WMZOPIPTSA-N 1 0 379.530 0.901 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 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C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000378306751 1189469492 /nfs/dbraw/zinc/46/94/92/1189469492.db2.gz KNQVYILRWZORGF-VQIMIIECSA-N 1 0 383.496 0.772 20 30 GCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000641768557 1189648997 /nfs/dbraw/zinc/64/89/97/1189648997.db2.gz CAZTYYNMKJPWCW-QGZVFWFLSA-N 1 0 376.453 0.797 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC1 ZINC000584834000 1189684132 /nfs/dbraw/zinc/68/41/32/1189684132.db2.gz GXWYOPZRDACTHP-LESCRADOSA-N 1 0 399.470 0.932 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000584834003 1189684293 /nfs/dbraw/zinc/68/42/93/1189684293.db2.gz GXWYOPZRDACTHP-ZVZYQTTQSA-N 1 0 399.470 0.932 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1C(F)(F)F ZINC000566496484 1189695871 /nfs/dbraw/zinc/69/58/71/1189695871.db2.gz RTILWCANKQZMCN-GWCFXTLKSA-N 1 0 388.371 0.510 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1C(F)(F)F ZINC000566496485 1189696204 /nfs/dbraw/zinc/69/62/04/1189696204.db2.gz RTILWCANKQZMCN-GXFFZTMASA-N 1 0 388.371 0.510 20 30 GCEDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001267995905 1189837851 /nfs/dbraw/zinc/83/78/51/1189837851.db2.gz RBEXETQAJZRYFE-UCTAPSKPSA-N 1 0 395.503 0.920 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125179486 1189983040 /nfs/dbraw/zinc/98/30/40/1189983040.db2.gz CKDJHEIAFFMNBP-CQSZACIVSA-N 1 0 383.460 0.849 20 30 GCEDRO N#Cc1ccc([C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C(N)=O)cc1 ZINC000126207969 1193755284 /nfs/dbraw/zinc/75/52/84/1193755284.db2.gz WKCXBVOGRDJEOX-ZDUSSCGKSA-N 1 0 390.387 0.988 20 30 GCEDRO CCc1nsc(N2CCN(C(NCC3(CO)CCOCC3)=[NH+]C)CC2)n1 ZINC000261717140 1193763760 /nfs/dbraw/zinc/76/37/60/1193763760.db2.gz HXKMDELSVKATLS-UHFFFAOYSA-N 1 0 382.534 0.587 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1 ZINC000419286084 1193786262 /nfs/dbraw/zinc/78/62/62/1193786262.db2.gz NTPAYMBWEYJXGX-PBHICJAKSA-N 1 0 385.468 0.582 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccc(C#N)cc1 ZINC000419286086 1193786446 /nfs/dbraw/zinc/78/64/46/1193786446.db2.gz NTPAYMBWEYJXGX-WMLDXEAASA-N 1 0 385.468 0.582 20 30 GCEDRO CCc1nsc(N2CCN(C(NCCC(=O)N3CCOCC3)=[NH+]C)CC2)n1 ZINC000261725114 1193791660 /nfs/dbraw/zinc/79/16/60/1193791660.db2.gz ITIBJYLRTKIVRI-UHFFFAOYSA-N 1 0 395.533 0.047 20 30 GCEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261740590 1193841315 /nfs/dbraw/zinc/84/13/15/1193841315.db2.gz KRBLYZCFWFLAKW-IBGZPJMESA-N 1 0 388.472 0.866 20 30 GCEDRO CCNC(=O)C(C)(C)CNC(=[NH+]C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261742330 1193846214 /nfs/dbraw/zinc/84/62/14/1193846214.db2.gz KUSDYDIVMFNQKR-GOSISDBHSA-N 1 0 380.493 0.034 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)N2CCO[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000419354294 1193851740 /nfs/dbraw/zinc/85/17/40/1193851740.db2.gz DPPAMTZZCQURJI-OAHLLOKOSA-N 1 0 377.441 0.235 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261782594 1193903455 /nfs/dbraw/zinc/90/34/55/1193903455.db2.gz PLXISBGXXXPDPL-LEWJYISDSA-N 1 0 399.495 0.706 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261621753 1193921626 /nfs/dbraw/zinc/92/16/26/1193921626.db2.gz BKBXHWNWVSSLBS-KRWDZBQOSA-N 1 0 385.512 0.805 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261681373 1193922991 /nfs/dbraw/zinc/92/29/91/1193922991.db2.gz DDTCNZQBEMQORC-DOTOQJQBSA-N 1 0 386.504 0.921 20 30 GCEDRO C[NH+]=C(NCCc1cn2ccccc2n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261727115 1193923817 /nfs/dbraw/zinc/92/38/17/1193923817.db2.gz LHBUYDCXGMKFCV-UHFFFAOYSA-N 1 0 380.456 0.535 20 30 GCEDRO [NH2+]=C(NC[C@H]1CC(=O)N(Cc2ccccc2)C1)N1CCN(c2ncccn2)CC1 ZINC000261775127 1193925808 /nfs/dbraw/zinc/92/58/08/1193925808.db2.gz KUBUMVBTXVSHAX-GOSISDBHSA-N 1 0 393.495 0.962 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261791298 1193926731 /nfs/dbraw/zinc/92/67/31/1193926731.db2.gz QKSLUYPWYQMJHK-OAHLLOKOSA-N 1 0 385.490 0.267 20 30 GCEDRO CC[NH+]=C(NCc1cccn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261798254 1193926838 /nfs/dbraw/zinc/92/68/38/1193926838.db2.gz RDXXZGBOCIEYRN-UHFFFAOYSA-N 1 0 394.501 0.626 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1=O ZINC000513241108 1193927288 /nfs/dbraw/zinc/92/72/88/1193927288.db2.gz PUXCZYMNMAZRRQ-AWEZNQCLSA-N 1 0 388.424 0.818 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261828521 1193927872 /nfs/dbraw/zinc/92/78/72/1193927872.db2.gz VEMSDGSYIPROKG-UHFFFAOYSA-N 1 0 393.455 0.425 20 30 GCEDRO C[NH+]=C(NCc1cn2ccc(C)cc2n1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261834641 1193928177 /nfs/dbraw/zinc/92/81/77/1193928177.db2.gz VRLUXKPHOVIKOL-UHFFFAOYSA-N 1 0 380.456 0.800 20 30 GCEDRO CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C(=O)N1CCc2ccc(C#N)cc21 ZINC000433653304 1193928459 /nfs/dbraw/zinc/92/84/59/1193928459.db2.gz JEWNVYALXGUVQQ-UHFFFAOYSA-N 1 0 383.496 0.932 20 30 GCEDRO COC(=O)Cn1cc(CNC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)nn1 ZINC000433675479 1193932551 /nfs/dbraw/zinc/93/25/51/1193932551.db2.gz QDNAVQYMDSKVFB-UHFFFAOYSA-N 1 0 399.455 0.596 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCN(c3ccccn3)CC2)n1C ZINC000261948105 1193932910 /nfs/dbraw/zinc/93/29/10/1193932910.db2.gz GMCMSVUBEXIXBA-KRWDZBQOSA-N 1 0 398.515 0.965 20 30 GCEDRO C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261949355 1193933065 /nfs/dbraw/zinc/93/30/65/1193933065.db2.gz GVPRJMYLXWGRPI-OAHLLOKOSA-N 1 0 389.481 0.958 20 30 GCEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261947049 1193933099 /nfs/dbraw/zinc/93/30/99/1193933099.db2.gz GFPYYZSBQZOINW-UHFFFAOYSA-N 1 0 376.486 0.852 20 30 GCEDRO C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000261970599 1193933796 /nfs/dbraw/zinc/93/37/96/1193933796.db2.gz MPCOTHGPWLMNGL-FUHWJXTLSA-N 1 0 375.521 0.506 20 30 GCEDRO [NH2+]=C(NC[C@@H](c1ccccc1)N1CCOCC1)N1CCN(c2ncccn2)CC1 ZINC000261975551 1193934283 /nfs/dbraw/zinc/93/42/83/1193934283.db2.gz FYAYULXMCJMAQQ-IBGZPJMESA-N 1 0 395.511 0.987 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262005383 1193935445 /nfs/dbraw/zinc/93/54/45/1193935445.db2.gz VNGOMKMIVJUWKH-OAHLLOKOSA-N 1 0 389.481 0.958 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261998608 1193935700 /nfs/dbraw/zinc/93/57/00/1193935700.db2.gz SZDLTNGWDQHXKN-NRFANRHFSA-N 1 0 387.528 0.492 20 30 GCEDRO CN(C)C(=O)CNC(N[C@H]1CCCN(c2ncccn2)C1)=[NH+]C1CCOCC1 ZINC000262263995 1193943580 /nfs/dbraw/zinc/94/35/80/1193943580.db2.gz FJZOBYUAJTZAMZ-INIZCTEOSA-N 1 0 389.504 0.248 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCO1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000262274239 1193943602 /nfs/dbraw/zinc/94/36/02/1193943602.db2.gz HLRURVSPYBBNGX-CVEARBPZSA-N 1 0 378.477 0.006 20 30 GCEDRO CN(C)C(=O)CNC(N[C@@H]1CCCN(c2ncccn2)C1)=[NH+]C1CCOCC1 ZINC000262263996 1193943657 /nfs/dbraw/zinc/94/36/57/1193943657.db2.gz FJZOBYUAJTZAMZ-MRXNPFEDSA-N 1 0 389.504 0.248 20 30 GCEDRO Cc1nc2n(n1)C[C@@H](NC(NCc1cccs1)=[NH+]CC(=O)N(C)C)CC2 ZINC000262293406 1193944606 /nfs/dbraw/zinc/94/46/06/1193944606.db2.gz LUFUTSNBCAKWBA-ZDUSSCGKSA-N 1 0 375.502 0.786 20 30 GCEDRO CCC[NH+]=C(NCC(=O)N(C)C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000262325425 1193944866 /nfs/dbraw/zinc/94/48/66/1193944866.db2.gz TURMUHKVVYQUSU-CQSZACIVSA-N 1 0 387.492 0.079 20 30 GCEDRO CC[C@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262389130 1193946769 /nfs/dbraw/zinc/94/67/69/1193946769.db2.gz LTVFXPXSOKXWDR-JKSUJKDBSA-N 1 0 394.545 0.777 20 30 GCEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262428110 1193947825 /nfs/dbraw/zinc/94/78/25/1193947825.db2.gz RZAYWFDAVJKLAA-HNNXBMFYSA-N 1 0 396.513 0.828 20 30 GCEDRO CNS(=O)(=O)c1cccc(CNC(=[NH+]C)N2CC[C@H](c3cnn(C)c3)C2)c1 ZINC000262489917 1193949355 /nfs/dbraw/zinc/94/93/55/1193949355.db2.gz UMJRHVQKKQGSEB-HNNXBMFYSA-N 1 0 390.513 0.893 20 30 GCEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262568934 1193951377 /nfs/dbraw/zinc/95/13/77/1193951377.db2.gz MLWDSUHIWZFTJD-HNNXBMFYSA-N 1 0 378.502 0.165 20 30 GCEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262573748 1193951448 /nfs/dbraw/zinc/95/14/48/1193951448.db2.gz NRRCXVUPEBVDGE-INIZCTEOSA-N 1 0 377.514 0.770 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)Cc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262605995 1193952217 /nfs/dbraw/zinc/95/22/17/1193952217.db2.gz ZRRXGEKEQRTWEW-SFHVURJKSA-N 1 0 399.495 0.474 20 30 GCEDRO CS(=O)(=O)N[C@H]1CCCC[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262683299 1193953579 /nfs/dbraw/zinc/95/35/79/1193953579.db2.gz XIUHRCHXWLXGFR-CABCVRRESA-N 1 0 395.533 0.021 20 30 GCEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262756777 1193955075 /nfs/dbraw/zinc/95/50/75/1193955075.db2.gz BRDSFHOJZUFCST-OAHLLOKOSA-N 1 0 379.436 0.498 20 30 GCEDRO Cc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)ccc1S(N)(=O)=O ZINC000262810858 1193956141 /nfs/dbraw/zinc/95/61/41/1193956141.db2.gz UHXAKEMMZILHMD-UHFFFAOYSA-N 1 0 389.485 0.069 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2C)CC1 ZINC000280221420 1193980706 /nfs/dbraw/zinc/98/07/06/1193980706.db2.gz BETNQSIFXIMHKG-UHFFFAOYSA-N 1 0 388.468 0.825 20 30 GCEDRO N#CCC[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419474007 1194039339 /nfs/dbraw/zinc/03/93/39/1194039339.db2.gz MAGLIZDQKRFSJT-IRXDYDNUSA-N 1 0 385.468 0.461 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)CC2)nc1 ZINC000419618263 1194070241 /nfs/dbraw/zinc/07/02/41/1194070241.db2.gz WRUVSNCLULMQLQ-VLMYXLFRSA-N 1 0 397.479 0.955 20 30 GCEDRO [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C(=O)NCC#Cc1cccc(F)c1 ZINC000419671897 1194079429 /nfs/dbraw/zinc/07/94/29/1194079429.db2.gz GUVWSQRVXGHTGR-KRWDZBQOSA-N 1 0 388.443 0.140 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000419732382 1194090202 /nfs/dbraw/zinc/09/02/02/1194090202.db2.gz PFQWFHNXCDIFQM-VLMYXLFRSA-N 1 0 397.479 0.955 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)CC[NH2+]1 ZINC000419737845 1194099510 /nfs/dbraw/zinc/09/95/10/1194099510.db2.gz VBGHNBWBQQERBZ-UHFFFAOYSA-N 1 0 385.468 0.970 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC3([NH3+])CCCCC3)CC2)cc1 ZINC000419805640 1194107568 /nfs/dbraw/zinc/10/75/68/1194107568.db2.gz QHIUXFCFBMXPBM-UHFFFAOYSA-N 1 0 383.496 0.980 20 30 GCEDRO COCC1(C#N)CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000501339274 1194113717 /nfs/dbraw/zinc/11/37/17/1194113717.db2.gz YMMZJGWIUKWDPB-KRWDZBQOSA-N 1 0 392.500 0.478 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC2CC[NH2+]CC2)CC1 ZINC000419857244 1194123193 /nfs/dbraw/zinc/12/31/93/1194123193.db2.gz ZNTPGKWXKDUZPX-UHFFFAOYSA-N 1 0 392.463 0.623 20 30 GCEDRO 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C=CCN(CCc1ccccc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423190817 1194738243 /nfs/dbraw/zinc/73/82/43/1194738243.db2.gz ROBWMQALCABHGU-GOSISDBHSA-N 1 0 386.496 0.557 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H](C)[NH2+]1 ZINC000423229140 1194742067 /nfs/dbraw/zinc/74/20/67/1194742067.db2.gz GMCPTRPLQRDDLB-GJZGRUSLSA-N 1 0 397.479 0.944 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000423318386 1194747105 /nfs/dbraw/zinc/74/71/05/1194747105.db2.gz BQKTUAYTMZQRLJ-RBUKOAKNSA-N 1 0 383.496 0.810 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000423346896 1194748697 /nfs/dbraw/zinc/74/86/97/1194748697.db2.gz ZICCKPHLBXPHBV-RXVVDRJESA-N 1 0 381.480 0.435 20 30 GCEDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000423506170 1194760139 /nfs/dbraw/zinc/76/01/39/1194760139.db2.gz OUUJVACIOCMPTG-OAHLLOKOSA-N 1 0 389.887 0.928 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1=O ZINC000423493946 1194760686 /nfs/dbraw/zinc/76/06/86/1194760686.db2.gz RKJRSZMLSRWTJD-USXIJHARSA-N 1 0 388.443 0.324 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1=O ZINC000423494631 1194761167 /nfs/dbraw/zinc/76/11/67/1194761167.db2.gz SLJQNTNKLUFAPZ-HZPDHXFCSA-N 1 0 376.501 0.468 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000423560749 1194764019 /nfs/dbraw/zinc/76/40/19/1194764019.db2.gz LMEVFTXYROGXCP-ZUOKHONESA-N 1 0 381.436 0.069 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)C2CC2)cc1 ZINC000423575379 1194769277 /nfs/dbraw/zinc/76/92/77/1194769277.db2.gz VNCKLCCDPVSQCU-LJQANCHMSA-N 1 0 381.480 0.555 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000423636077 1194776157 /nfs/dbraw/zinc/77/61/57/1194776157.db2.gz AYHJOXFGULMPAT-CQSZACIVSA-N 1 0 390.513 0.572 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000423642538 1194776949 /nfs/dbraw/zinc/77/69/49/1194776949.db2.gz XDEBSYRQXDDZQB-GJZGRUSLSA-N 1 0 397.479 0.944 20 30 GCEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)C2)nc1 ZINC000423644515 1194777399 /nfs/dbraw/zinc/77/73/99/1194777399.db2.gz ZMKUKDMOHTULBG-GOSISDBHSA-N 1 0 397.479 0.924 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000423621369 1194778036 /nfs/dbraw/zinc/77/80/36/1194778036.db2.gz XVUMAFXPNKTNPY-GOSISDBHSA-N 1 0 397.479 0.946 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)[C@H](C)C[NH2+]1 ZINC000423655433 1194779945 /nfs/dbraw/zinc/77/99/45/1194779945.db2.gz SHWQCUWDMKHPOS-CWMDILNDSA-N 1 0 381.436 0.067 20 30 GCEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)nc1 ZINC000423668519 1194782229 /nfs/dbraw/zinc/78/22/29/1194782229.db2.gz PWIILDDDJQAUIX-GOSISDBHSA-N 1 0 393.447 0.920 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000423692633 1194783249 /nfs/dbraw/zinc/78/32/49/1194783249.db2.gz ZWVDOBIUNORCKZ-QGZVFWFLSA-N 1 0 385.468 0.363 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]12C(=O)Nc1ccccc12 ZINC000423678669 1194784686 /nfs/dbraw/zinc/78/46/86/1194784686.db2.gz DFFNCGDQFYCWTG-MBIULKOWSA-N 1 0 393.447 0.211 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)c1C#N ZINC000423687427 1194785948 /nfs/dbraw/zinc/78/59/48/1194785948.db2.gz VWGQIUQFXPFUFU-CQSZACIVSA-N 1 0 390.513 0.559 20 30 GCEDRO CCCN(C(=O)C(=O)N1CC[C@H](Oc2ccc(C#N)cn2)C1)C1CC[NH2+]CC1 ZINC000423690904 1194786425 /nfs/dbraw/zinc/78/64/25/1194786425.db2.gz ALOTYIIRLZIDCC-KRWDZBQOSA-N 1 0 385.468 0.924 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[NH2+]C(C)(C)C3)CC2)c1C#N ZINC000423708515 1194787008 /nfs/dbraw/zinc/78/70/08/1194787008.db2.gz GZVSAUCSUMHSBK-UHFFFAOYSA-N 1 0 376.486 0.182 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@H]1C[NH3+] ZINC000423716951 1194788211 /nfs/dbraw/zinc/78/82/11/1194788211.db2.gz ARNJXEMMXGKENQ-NEWSRXKRSA-N 1 0 383.496 0.809 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@H]1C[NH3+] ZINC000423716955 1194788217 /nfs/dbraw/zinc/78/82/17/1194788217.db2.gz ARNJXEMMXGKENQ-QRQLOZEOSA-N 1 0 383.496 0.809 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)[C@@H]1C[NH3+] ZINC000423719735 1194788694 /nfs/dbraw/zinc/78/86/94/1194788694.db2.gz CVHWTRREQJLUES-AMLORBGZSA-N 1 0 395.463 0.444 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000423746843 1194791612 /nfs/dbraw/zinc/79/16/12/1194791612.db2.gz PQWRDWQATJGJFS-OALUTQOASA-N 1 0 383.496 0.823 20 30 GCEDRO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000504515146 1194796129 /nfs/dbraw/zinc/79/61/29/1194796129.db2.gz ZQPZCDHUUIIVBH-GOSISDBHSA-N 1 0 377.445 0.361 20 30 GCEDRO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424101257 1194801418 /nfs/dbraw/zinc/80/14/18/1194801418.db2.gz YIIJGQQUFAWFRJ-INIZCTEOSA-N 1 0 385.534 0.661 20 30 GCEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424448407 1194812293 /nfs/dbraw/zinc/81/22/93/1194812293.db2.gz ORZRKZBSCWCTKB-JKSUJKDBSA-N 1 0 396.451 0.971 20 30 GCEDRO C=CCn1cc(CNC(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000424474202 1194814248 /nfs/dbraw/zinc/81/42/48/1194814248.db2.gz XROCLVYNLQBEIA-ZBFHGGJFSA-N 1 0 375.477 0.254 20 30 GCEDRO C=CCn1cc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nn1 ZINC000424474201 1194814337 /nfs/dbraw/zinc/81/43/37/1194814337.db2.gz XROCLVYNLQBEIA-HOCLYGCPSA-N 1 0 375.477 0.254 20 30 GCEDRO Cn1cc([C@@H]2CN(C(=O)C(=O)N3C[C@@H](c4ccccc4)[C@H](C#N)C3)C[C@H]2[NH3+])cn1 ZINC000424494417 1194817709 /nfs/dbraw/zinc/81/77/09/1194817709.db2.gz NIKZMMUILLRUTH-XGXHKWSGSA-N 1 0 392.463 0.439 20 30 GCEDRO C=CC[C@H](Cc1ccccc1)NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424549937 1194823600 /nfs/dbraw/zinc/82/36/00/1194823600.db2.gz MWDQSEPBEMSRKZ-CEXWTWQISA-N 1 0 381.480 0.977 20 30 GCEDRO C=CCCn1cc(C(=O)N(CC[NH+](CC)CC)[C@H]2CCS(=O)(=O)C2)nn1 ZINC000424748473 1194828938 /nfs/dbraw/zinc/82/89/38/1194828938.db2.gz HYKLSFZMSWDBLW-HNNXBMFYSA-N 1 0 383.518 0.825 20 30 GCEDRO COC[C@H]([NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)[C@H]1CCCO1 ZINC000434789788 1194870053 /nfs/dbraw/zinc/87/00/53/1194870053.db2.gz ZWMIRMDAFJOZKY-JKSUJKDBSA-N 1 0 377.445 0.287 20 30 GCEDRO COCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000505526256 1194871048 /nfs/dbraw/zinc/87/10/48/1194871048.db2.gz BFGIAGKROOJOLL-RDJZCZTQSA-N 1 0 399.451 0.600 20 30 GCEDRO C[C@H]1c2ncc(CC(=O)NC3CC[NH+](C)CC3)n2CCN1C(=O)CCS ZINC001269879397 1194876832 /nfs/dbraw/zinc/87/68/32/1194876832.db2.gz OVNADZXOZMZHNG-ZDUSSCGKSA-N 1 0 379.530 0.859 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2c(F)cc(C#N)cc2F)CC1=O ZINC000425316760 1194908164 /nfs/dbraw/zinc/90/81/64/1194908164.db2.gz MBTDKBKAEMARHA-ZDUSSCGKSA-N 1 0 380.395 0.745 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@H](NC(=O)c2ncc(C#N)cc2Cl)CC1=O ZINC000425322774 1194913363 /nfs/dbraw/zinc/91/33/63/1194913363.db2.gz TYYYBEVQTZZAMI-CYBMUJFWSA-N 1 0 379.848 0.516 20 30 GCEDRO C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(S(=O)(=O)[C@@H](C)C#N)cc1 ZINC000514942323 1194931585 /nfs/dbraw/zinc/93/15/85/1194931585.db2.gz DATSEKGRTWAPIO-OLZOCXBDSA-N 1 0 380.470 0.767 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000515537279 1194982109 /nfs/dbraw/zinc/98/21/09/1194982109.db2.gz YEFZIRYWXDLHHJ-MSOLQXFVSA-N 1 0 399.495 0.479 20 30 GCEDRO N#Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000516180439 1195030490 /nfs/dbraw/zinc/03/04/90/1195030490.db2.gz UQXPURIHGOPPRV-AEFFLSMTSA-N 1 0 393.447 0.891 20 30 GCEDRO C[N@H+](Cc1ccccc1)[C@H](CNS(=O)(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC000516195407 1195031043 /nfs/dbraw/zinc/03/10/43/1195031043.db2.gz WEWQRAHHONFADR-ZWKOTPCHSA-N 1 0 378.498 0.956 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c1C#N ZINC000516554507 1195068854 /nfs/dbraw/zinc/06/88/54/1195068854.db2.gz CWOLDFBORXVTSU-UHFFFAOYSA-N 1 0 385.384 0.710 20 30 GCEDRO CC(=O)N[C@@H](CS)C(=O)N1C[C@@H]2CC[N@@H+](CCn3ccnc3)CC[C@@H]2C1 ZINC001270180402 1195077715 /nfs/dbraw/zinc/07/77/15/1195077715.db2.gz WSFDTGUCLNGLIN-BBWFWOEESA-N 1 0 379.530 0.488 20 30 GCEDRO Cn1cc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3C(=O)CCCS(N)(=O)=O)cc1C#N ZINC001270209529 1195106641 /nfs/dbraw/zinc/10/66/41/1195106641.db2.gz IQMQSINMJLSIRX-HOTGVXAUSA-N 1 0 379.486 0.141 20 30 GCEDRO N#Cc1cccc(CN2C(=O)CC[C@@H]2C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)c1 ZINC000473583230 1195161924 /nfs/dbraw/zinc/16/19/24/1195161924.db2.gz QDXHNICVZIBXJP-ZWKOTPCHSA-N 1 0 397.479 0.505 20 30 GCEDRO COC[C@]1(CNC(=O)N2CCN(c3snc(C)c3C#N)CC2)CCC[NH2+]1 ZINC000517340350 1195172263 /nfs/dbraw/zinc/17/22/63/1195172263.db2.gz ICZUZPFALFTZBB-QGZVFWFLSA-N 1 0 378.502 0.923 20 30 GCEDRO N#CCCn1ccc(NC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000438309766 1195205085 /nfs/dbraw/zinc/20/50/85/1195205085.db2.gz ZYYCEOMUKGEVSP-UHFFFAOYSA-N 1 0 397.487 1.311 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000517688014 1195205774 /nfs/dbraw/zinc/20/57/74/1195205774.db2.gz JAMLIWBROSETFD-SFHVURJKSA-N 1 0 378.517 0.466 20 30 GCEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CNS(=O)(=O)c3cccc(C#N)c3)C2)C1 ZINC000517685048 1195207133 /nfs/dbraw/zinc/20/71/33/1195207133.db2.gz HLQHNKFKYKWUAK-SFHVURJKSA-N 1 0 376.482 0.781 20 30 GCEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000439208098 1195294808 /nfs/dbraw/zinc/29/48/08/1195294808.db2.gz JLSOXNZFXOTRON-UHFFFAOYSA-N 1 0 384.415 1.376 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)CN2C(=O)Cn3c4ccccc4cc3C2=O)CC1 ZINC000518817703 1195337596 /nfs/dbraw/zinc/33/75/96/1195337596.db2.gz BHRICGXFTLDAHB-UHFFFAOYSA-N 1 0 379.420 0.728 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262019123 1195420654 /nfs/dbraw/zinc/42/06/54/1195420654.db2.gz YKQKYSCRXPTOMO-HRCADAONSA-N 1 0 382.534 0.623 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@H](C3CC3)C(C)(C)CO)CC2)o1 ZINC000550100841 1195436078 /nfs/dbraw/zinc/43/60/78/1195436078.db2.gz LTAPAVQPSNHEKV-QGZVFWFLSA-N 1 0 375.473 0.890 20 30 GCEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)Cn2cnc(C#N)n2)CC1 ZINC000426865437 1195486651 /nfs/dbraw/zinc/48/66/51/1195486651.db2.gz WSXAKCYUNMWKHK-UHFFFAOYSA-N 1 0 383.456 0.439 20 30 GCEDRO C[C@@H]1CC2(CN1C(=O)C(=O)N1CCN(c3cnccc3C#N)CC1)CC[NH2+]CC2 ZINC000519595008 1195503634 /nfs/dbraw/zinc/50/36/34/1195503634.db2.gz FYLMOJOGZQPBSD-MRXNPFEDSA-N 1 0 396.495 0.592 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)C1 ZINC001270759977 1195528552 /nfs/dbraw/zinc/52/85/52/1195528552.db2.gz DCVKXTXQHSJSQO-LTGMSYCWSA-N 1 0 390.484 0.250 20 30 GCEDRO C#CCNC(=O)CN1CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000729477781 1195554563 /nfs/dbraw/zinc/55/45/63/1195554563.db2.gz CRRVYHGFGMLWNL-UHFFFAOYSA-N 1 0 395.511 0.877 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)CC2)nc1 ZINC000519824580 1195576448 /nfs/dbraw/zinc/57/64/48/1195576448.db2.gz XAYHKQYZUCDSHE-SFHVURJKSA-N 1 0 396.495 0.592 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000441049081 1195600173 /nfs/dbraw/zinc/60/01/73/1195600173.db2.gz KPQPQNKVTOIADH-CJNGLKHVSA-N 1 0 395.467 1.185 20 30 GCEDRO COCCNS(=O)(=O)c1cccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000520246794 1195611525 /nfs/dbraw/zinc/61/15/25/1195611525.db2.gz DIMDMAYNOOTBEC-UHFFFAOYSA-N 1 0 380.470 0.329 20 30 GCEDRO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000328661610 1195657899 /nfs/dbraw/zinc/65/78/99/1195657899.db2.gz AFCYHNJCOOWAKJ-JKSUJKDBSA-N 1 0 388.534 0.226 20 30 GCEDRO CN(C)c1nc(CN(C)[C@@H]2CCN(C(=O)NC3CC[NH+](C)CC3)C2)cc(=O)[nH]1 ZINC000328681527 1195660143 /nfs/dbraw/zinc/66/01/43/1195660143.db2.gz COAGVQDIRKZOQY-MRXNPFEDSA-N 1 0 391.520 0.763 20 30 GCEDRO COCc1nc2n(n1)C[C@@H]([NH+]=C([O-])N1CCC[C@H](C[NH+]3CCOCC3)C1)CC2 ZINC000328716110 1195662335 /nfs/dbraw/zinc/66/23/35/1195662335.db2.gz TVECCOCNTWFECO-CVEARBPZSA-N 1 0 392.504 0.698 20 30 GCEDRO CC(C)(C)n1ncnc1CNC(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000328769323 1195664750 /nfs/dbraw/zinc/66/47/50/1195664750.db2.gz GKFVFEPPJDGNDC-UHFFFAOYSA-N 1 0 377.493 0.687 20 30 GCEDRO CCS(=O)(=O)N1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000328816369 1195666364 /nfs/dbraw/zinc/66/63/64/1195666364.db2.gz OPXRJPYREUAMNC-HNNXBMFYSA-N 1 0 389.566 0.188 20 30 GCEDRO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000328786080 1195667894 /nfs/dbraw/zinc/66/78/94/1195667894.db2.gz JAKMQTPEHIUOHP-OAHLLOKOSA-N 1 0 388.534 0.559 20 30 GCEDRO CCN1CCN(CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C(=O)C1=O ZINC000328948219 1195677767 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C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130687945 1205560177 /nfs/dbraw/zinc/56/01/77/1205560177.db2.gz XXSDESFRSVBSSV-BVYOLEPJSA-N 1 0 389.500 0.421 20 30 GCEDRO O=C(CC/N=C1/NS(=O)(=O)c2ccccc21)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000747343314 1205562816 /nfs/dbraw/zinc/56/28/16/1205562816.db2.gz QTAFRPXFERWTII-ZIAGYGMSSA-N 1 0 392.481 0.095 20 30 GCEDRO C#CCCCNC(=O)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000806912777 1205570004 /nfs/dbraw/zinc/57/00/04/1205570004.db2.gz LDJZRDOUIRBWLD-IBGZPJMESA-N 1 0 397.523 0.972 20 30 GCEDRO C=CCCC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@H]3C(N)=O)n2)O1 ZINC001130804973 1205571631 /nfs/dbraw/zinc/57/16/31/1205571631.db2.gz SCGSPDFLGMOLOI-RFQIPJPRSA-N 1 0 376.461 0.318 20 30 GCEDRO C#CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@@H]3C[C@H]3c3cncn3C)n2)O1 ZINC001130809269 1205572501 /nfs/dbraw/zinc/57/25/01/1205572501.db2.gz OXUBJIJSWOCHSA-DSJMHWKBSA-N 1 0 383.456 0.401 20 30 GCEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)NCc1nc([C@H]2CC[C@@H](C[NH2+]CCO)O2)n[nH]1 ZINC001130809243 1205572551 /nfs/dbraw/zinc/57/25/51/1205572551.db2.gz NTFOCGHHYUFEDV-MPTYRVRUSA-N 1 0 393.488 0.594 20 30 GCEDRO C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C#N)[C@@H](C)C1 ZINC000807110659 1205575592 /nfs/dbraw/zinc/57/55/92/1205575592.db2.gz XAWRWAINDSZWJO-YHUYYLMFSA-N 1 0 395.504 0.842 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)NC)C1 ZINC001130991426 1205584874 /nfs/dbraw/zinc/58/48/74/1205584874.db2.gz JLFYUYSBTBEIFW-ANQUJSFKSA-N 1 0 375.473 0.031 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC#CCOC)C1 ZINC001130991504 1205584958 /nfs/dbraw/zinc/58/49/58/1205584958.db2.gz OMMHMCNSMUCEEM-MLYOOKFZSA-N 1 0 386.496 0.935 20 30 GCEDRO C[C@@H](CC(=O)NCC1(O)CC[NH+](C)CC1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC000747412525 1205587886 /nfs/dbraw/zinc/58/78/86/1205587886.db2.gz QCLLRCKLOJJTIP-ZDUSSCGKSA-N 1 0 394.497 0.077 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCCO1 ZINC000807767941 1205590020 /nfs/dbraw/zinc/59/00/20/1205590020.db2.gz XWECJEJPDROIAN-UXHICEINSA-N 1 0 399.491 0.557 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCCO1 ZINC000807855378 1205591517 /nfs/dbraw/zinc/59/15/17/1205591517.db2.gz ISUINDZASBVSAD-ROUUACIJSA-N 1 0 391.512 0.682 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cncn2C)[C@H]([NH2+]CC(=O)N(C)CC)C1 ZINC001131072144 1205591746 /nfs/dbraw/zinc/59/17/46/1205591746.db2.gz KTIGUCLOMKAXFV-KONPQCLYSA-N 1 0 389.500 0.374 20 30 GCEDRO C=CCNC(=O)C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C)O2)C[C@H]1c1cncn1C ZINC001131075948 1205593775 /nfs/dbraw/zinc/59/37/75/1205593775.db2.gz AQCWWCIQRSUDIH-KCYZZUKISA-N 1 0 375.473 0.174 20 30 GCEDRO CC[C@@H]1CCO[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH2+]CC(=O)NCC#N)CC1 ZINC001131515553 1205615077 /nfs/dbraw/zinc/61/50/77/1205615077.db2.gz RJBFVFVTJWGOEJ-JZGRTCEGSA-N 1 0 392.500 0.427 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1)[C@H]1CCCO1 ZINC000809305545 1205621452 /nfs/dbraw/zinc/62/14/52/1205621452.db2.gz FKCVTHTVACCEFV-RBUKOAKNSA-N 1 0 382.464 0.745 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CCCO1 ZINC000809311570 1205622396 /nfs/dbraw/zinc/62/23/96/1205622396.db2.gz INQFGIDPFWMPSF-MSOLQXFVSA-N 1 0 390.528 0.160 20 30 GCEDRO COc1ccc(CNC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1C#N ZINC000809504262 1205626421 /nfs/dbraw/zinc/62/64/21/1205626421.db2.gz SBFUODHFOJLDIN-KRWDZBQOSA-N 1 0 388.468 0.752 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CCC/N=C3/NS(=O)(=O)c4ccccc43)C[C@@H]2C1 ZINC000812342863 1205664261 /nfs/dbraw/zinc/66/42/61/1205664261.db2.gz KFRRCDXLZUQREK-CABCVRRESA-N 1 0 390.509 0.915 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](CCCN2C(=O)CS/C2=C/C(=O)OC)CC1 ZINC000747816773 1205668347 /nfs/dbraw/zinc/66/83/47/1205668347.db2.gz WIBXVXDLMSTUFA-FOWTUZBSSA-N 1 0 379.482 0.428 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](CC(=O)N(CCC(N)=O)Cc2ccccc2)CC1 ZINC000747818387 1205668360 /nfs/dbraw/zinc/66/83/60/1205668360.db2.gz OOGUTAPYRFBFMX-UHFFFAOYSA-N 1 0 384.480 0.352 20 30 GCEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)C(=O)N2CCC[C@H](C(=O)OCC)C2)CC1 ZINC000747818634 1205668404 /nfs/dbraw/zinc/66/84/04/1205668404.db2.gz XKVXJTOFDNAYRZ-WBVHZDCISA-N 1 0 377.485 0.638 20 30 GCEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)CC1 ZINC000747818428 1205668497 /nfs/dbraw/zinc/66/84/97/1205668497.db2.gz RCFYFPHRGXWMHC-INIZCTEOSA-N 1 0 399.491 0.966 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](CC(=O)NC2CCN(C(=O)OCC)CC2)CC1 ZINC000747965491 1205694749 /nfs/dbraw/zinc/69/47/49/1205694749.db2.gz GLEGORRMHDNHFD-UHFFFAOYSA-N 1 0 378.473 0.185 20 30 GCEDRO C#CCNC(=O)C1CCN(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000747990204 1205697429 /nfs/dbraw/zinc/69/74/29/1205697429.db2.gz FETAAEJKNOYHJB-UHFFFAOYSA-N 1 0 389.544 0.716 20 30 GCEDRO CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCN2CCS(=O)(=O)CC2)C[C@H]1C#N ZINC001172981598 1205718310 /nfs/dbraw/zinc/71/83/10/1205718310.db2.gz NAYUOESYHDYNLJ-GJZGRUSLSA-N 1 0 386.518 0.598 20 30 GCEDRO N#Cc1ccc(C(=O)N2CCC([NH+]3CCC4(CC3)NC(=O)NC4=O)CC2)cc1 ZINC001173434615 1205721022 /nfs/dbraw/zinc/72/10/22/1205721022.db2.gz OEZIYIXCXINTGA-UHFFFAOYSA-N 1 0 381.436 0.837 20 30 GCEDRO C=CCCOCC(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)COC1CCOCC1 ZINC001110181515 1205735803 /nfs/dbraw/zinc/73/58/03/1205735803.db2.gz HNQKEPCIYCASQN-NEPXVJNWSA-N 1 0 382.501 0.857 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+]CCCC[C@H](C)NC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001175372595 1205737451 /nfs/dbraw/zinc/73/74/51/1205737451.db2.gz PAUSXAWXAJIWQI-JJXSEGSLSA-N 1 0 380.489 0.830 20 30 GCEDRO Cc1nc(C#N)c(N2CCC(C(=O)NCC[N@@H+](C)CCOCCO)CC2)o1 ZINC001175821752 1205741875 /nfs/dbraw/zinc/74/18/75/1205741875.db2.gz FZZMVHKVNBFOPM-UHFFFAOYSA-N 1 0 379.461 0.128 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)N[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1cc[nH]n1 ZINC001177263816 1205765808 /nfs/dbraw/zinc/76/58/08/1205765808.db2.gz FZRUKFACPFBYSA-IROGYPJWSA-N 1 0 377.445 0.825 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)NCCc1c[nH]c2cc[nH+]cc12)c1cc[nH]n1 ZINC001177265903 1205765932 /nfs/dbraw/zinc/76/59/32/1205765932.db2.gz FRBPBTYVGSMWSM-ULJHMMPZSA-N 1 0 384.396 0.929 20 30 GCEDRO CCOC(=O)CON=C(C(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)c1cc[nH]n1 ZINC001178942682 1205797269 /nfs/dbraw/zinc/79/72/69/1205797269.db2.gz YBSYNOUBVPRKPU-AWEZNQCLSA-N 1 0 393.444 0.063 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN(C(=O)CC[NH+]2CCC(C(N)=O)CC2)C[C@H]1C#N ZINC001180610144 1205828594 /nfs/dbraw/zinc/82/85/94/1205828594.db2.gz DTTIUZYURZKULE-OAHLLOKOSA-N 1 0 393.488 0.545 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)N[C@@H]1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC001181443391 1205844084 /nfs/dbraw/zinc/84/40/84/1205844084.db2.gz UWVLLCYHUXCSEC-ZFZWDLNGSA-N 1 0 376.482 0.681 20 30 GCEDRO N#C[C@H](NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O ZINC001182541140 1205876222 /nfs/dbraw/zinc/87/62/22/1205876222.db2.gz ALLBKYPPYZFLNE-VQTJNVASSA-N 1 0 391.475 0.867 20 30 GCEDRO CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@H](C)C[NH+](C)C ZINC001182984139 1205885255 /nfs/dbraw/zinc/88/52/55/1205885255.db2.gz POWIZTPRVOUPSD-NCOADZHNSA-N 1 0 398.548 0.513 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC[C@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001183043780 1205885599 /nfs/dbraw/zinc/88/55/99/1205885599.db2.gz YVRQCYUCSNDJHX-FQEVSTJZSA-N 1 0 376.501 0.568 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC(=O)NC[C@@]12CCN(C(=O)OC(C)(C)C)C2 ZINC001183043040 1205885672 /nfs/dbraw/zinc/88/56/72/1205885672.db2.gz KEXGRVRDNDLKJF-HXUWFJFHSA-N 1 0 392.500 0.976 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001183043289 1205885679 /nfs/dbraw/zinc/88/56/79/1205885679.db2.gz OULIZJNGSMMOIN-UHFFFAOYSA-N 1 0 399.495 0.962 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H](N2CCOCC2)C[C@@]1(C)C(=O)OC ZINC001183043466 1205885736 /nfs/dbraw/zinc/88/57/36/1205885736.db2.gz SJCPGGRMSUUBAI-PXNSSMCTSA-N 1 0 379.501 0.893 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)NCCN1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001183086005 1205886847 /nfs/dbraw/zinc/88/68/47/1205886847.db2.gz NOBRLAMVZSMEHN-UHFFFAOYSA-N 1 0 380.489 0.834 20 30 GCEDRO COC(=O)CC[N@H+](CC(=O)N1CCN([C@@H](C#N)C(C)C)CC1)C1CCOCC1 ZINC000774639611 1205894012 /nfs/dbraw/zinc/89/40/12/1205894012.db2.gz LGKDIWBMBBLBBC-SFHVURJKSA-N 1 0 394.516 0.723 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C[C@@H]2NC(=O)CNC2=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001183731710 1205899742 /nfs/dbraw/zinc/89/97/42/1205899742.db2.gz PKPPURQMSFTKIA-ULQDDVLXSA-N 1 0 383.452 0.161 20 30 GCEDRO C[NH+](C)[C@@H](CNC(=O)C(=O)NCCNc1ncccc1C#N)c1ccccc1 ZINC000774766233 1205912390 /nfs/dbraw/zinc/91/23/90/1205912390.db2.gz FONNGZKLRATFPD-KRWDZBQOSA-N 1 0 380.452 0.900 20 30 GCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2CCCN1C(=O)CNC1=O ZINC001110366200 1205926508 /nfs/dbraw/zinc/92/65/08/1205926508.db2.gz LYASAULSOIHNNI-JJXSEGSLSA-N 1 0 378.473 0.631 20 30 GCEDRO N#Cc1ccc(NCCNC(=O)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nc1 ZINC000775045550 1205945736 /nfs/dbraw/zinc/94/57/36/1205945736.db2.gz UWWKCNGSENIQJS-SFHVURJKSA-N 1 0 392.463 0.872 20 30 GCEDRO C#Cc1cccc(NC(=O)CN2[C@@H]3CC[C@H]2[C@H](NC(=O)CNC(=O)CC)C3)c1 ZINC001110393890 1205962831 /nfs/dbraw/zinc/96/28/31/1205962831.db2.gz XDJFJHPHPSXJLG-KURKYZTESA-N 1 0 382.464 0.854 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]2CN(CCNS(=O)(=O)CC)C[C@H]21 ZINC001187957972 1205972325 /nfs/dbraw/zinc/97/23/25/1205972325.db2.gz AJVPWHYZQQQGBN-HZMVEIRTSA-N 1 0 385.530 0.440 20 30 GCEDRO COCC#CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3OCCO[C@@H]3C(F)(F)F)[C@@H]2C1 ZINC001188336725 1205979706 /nfs/dbraw/zinc/97/97/06/1205979706.db2.gz OZVAOLFIZFWPQP-YJNKXOJESA-N 1 0 376.375 0.515 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NCC(C)C)C[C@H]21 ZINC001189175720 1205999456 /nfs/dbraw/zinc/99/94/56/1205999456.db2.gz ZITKRBWOJHUMRY-HZMVEIRTSA-N 1 0 392.500 0.592 20 30 GCEDRO 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/nfs/dbraw/zinc/69/32/70/946693270.db2.gz KGCAQXQZVMFMRC-UHFFFAOYSA-N 1 0 381.440 0.895 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)Nc2cnc(-c3nn[nH]n3)cn2)CC1 ZINC001573282466 946693516 /nfs/dbraw/zinc/69/35/16/946693516.db2.gz JFTBFZDOMLTUDZ-QWHCGFSZSA-N 1 0 383.460 0.307 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NCC[C@H](C)Nc2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573282861 946699697 /nfs/dbraw/zinc/69/96/97/946699697.db2.gz NBVHULRAFBASBY-AWEZNQCLSA-N 1 0 382.472 0.914 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573284965 946762284 /nfs/dbraw/zinc/76/22/84/946762284.db2.gz BGAZGVLZMNWIHA-AWEZNQCLSA-N 1 0 385.497 0.764 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1C[C@@H](C)[C@H](CCNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573286053 946795441 /nfs/dbraw/zinc/79/54/41/946795441.db2.gz SLLUZSRURQURHC-RBSFLKMASA-N 1 0 383.456 0.618 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2OC)C1 ZINC001573287173 946829337 /nfs/dbraw/zinc/82/93/37/946829337.db2.gz MATNYBCBAPRLKZ-INIZCTEOSA-N 1 0 384.440 0.606 20 30 GCEDRO C=C(Br)C[NH2+]C[C@@H](O)CN(C)C(=O)c1c[nH]c(-c2nn[nH]n2)c1 ZINC001573292782 946939859 /nfs/dbraw/zinc/93/98/59/946939859.db2.gz BUYPEUSDQQSDTI-SNVBAGLBSA-N 1 0 384.238 0.126 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573560451 946950940 /nfs/dbraw/zinc/95/09/40/946950940.db2.gz CQXVLGMVLLGJOE-OAHLLOKOSA-N 1 0 382.472 0.602 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573561075 946960573 /nfs/dbraw/zinc/96/05/73/946960573.db2.gz ILZLAQMGLRKMKG-SMDDNHRTSA-N 1 0 375.408 0.417 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+]C[C@H](C)N(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573294011 946976044 /nfs/dbraw/zinc/97/60/44/946976044.db2.gz RHAPBJFPBYZXMG-ZDUSSCGKSA-N 1 0 388.476 0.670 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC001573564799 946997884 /nfs/dbraw/zinc/99/78/84/946997884.db2.gz LBZUZEBCRNOEFV-GFCCVEGCSA-N 1 0 387.419 0.609 20 30 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20 30 GCEDRO N#Cc1ccc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccs2)cc1 ZINC000570564520 530501592 /nfs/dbraw/zinc/50/15/92/530501592.db2.gz SRAPXMOLSZEYFG-CQSZACIVSA-N 1 0 381.479 0.928 20 30 GCEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)NCCS(=O)(=O)N2CCSCC2)C1 ZINC000328660719 530517360 /nfs/dbraw/zinc/51/73/60/530517360.db2.gz VVMIQCWIDFWCBX-AWEZNQCLSA-N 1 0 378.564 0.601 20 30 GCEDRO CCS(=O)(=O)N1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000328813636 530517977 /nfs/dbraw/zinc/51/79/77/530517977.db2.gz NKJMFUMVOPFSHU-OAHLLOKOSA-N 1 0 378.564 0.741 20 30 GCEDRO CCS(=O)(=O)N1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000328948340 530518727 /nfs/dbraw/zinc/51/87/27/530518727.db2.gz BTXCHWYDTPENKA-GJZGRUSLSA-N 1 0 376.523 0.365 20 30 GCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000330898768 530532835 /nfs/dbraw/zinc/53/28/35/530532835.db2.gz NDPRGRRRUZAHCP-HNNXBMFYSA-N 1 0 376.523 0.367 20 30 GCEDRO CC(C)(O)C[NH+]1CCN(C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000330955142 530534288 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0.456 20 30 GCEDRO CC[C@@H]1C[N@H+](C)CCCN1S(=O)(=O)CCCS(=O)(=O)NC1(C#N)CC1 ZINC000349474928 530646440 /nfs/dbraw/zinc/64/64/40/530646440.db2.gz DONBEAQREOPTIY-CQSZACIVSA-N 1 0 392.547 0.098 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)CC(C)(C)C#N)cc[nH+]1 ZINC000349492460 530655216 /nfs/dbraw/zinc/65/52/16/530655216.db2.gz LEAMCVNGDLDRNM-UHFFFAOYSA-N 1 0 388.515 0.755 20 30 GCEDRO C[C@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000349518174 530670089 /nfs/dbraw/zinc/67/00/89/530670089.db2.gz GPFSOHLKXKMADZ-CABCVRRESA-N 1 0 392.547 0.050 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1NS(=O)(=O)CCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000349532836 530676474 /nfs/dbraw/zinc/67/64/74/530676474.db2.gz CVQOCSLASJXMRY-CABCVRRESA-N 1 0 389.499 0.207 20 30 GCEDRO C=CC[C@H](CO)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000579711806 530746190 /nfs/dbraw/zinc/74/61/90/530746190.db2.gz HOXUDUBFQKRSIM-AWEZNQCLSA-N 1 0 390.527 0.485 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510754630 530819276 /nfs/dbraw/zinc/81/92/76/530819276.db2.gz VQXXFDGRSBTLPZ-HZPDHXFCSA-N 1 0 385.511 0.782 20 30 GCEDRO C[NH+]1CCN(CCNS(=O)(=O)c2cc(Br)ccc2C#N)CC1 ZINC000416471522 530846715 /nfs/dbraw/zinc/84/67/15/530846715.db2.gz KSEAGHQVLRGCAQ-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000583153247 530860843 /nfs/dbraw/zinc/86/08/43/530860843.db2.gz JVATXVQDGHGTLH-CYBMUJFWSA-N 1 0 388.515 0.495 20 30 GCEDRO N#Cc1ccc(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000595111818 530893127 /nfs/dbraw/zinc/89/31/27/530893127.db2.gz QCFITTGZIFNONI-AWEZNQCLSA-N 1 0 376.404 0.814 20 30 GCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000293611276 530933191 /nfs/dbraw/zinc/93/31/91/530933191.db2.gz HAUUILCYDDGFNP-OAHLLOKOSA-N 1 0 383.246 0.688 20 30 GCEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 ZINC000564102973 530947839 /nfs/dbraw/zinc/94/78/39/530947839.db2.gz WRZIIAVZWIDZSS-LBPRGKRZSA-N 1 0 388.515 0.495 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)N2C[C@@H](SC)[C@H]([NH+](C)C)C2)cc1 ZINC000270497570 531005614 /nfs/dbraw/zinc/00/56/14/531005614.db2.gz PFWOJNUXVKKQHP-HZPDHXFCSA-N 1 0 381.523 0.716 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](SC)[C@@H]([NH+](C)C)C2)c1 ZINC000270449559 531005713 /nfs/dbraw/zinc/00/57/13/531005713.db2.gz JAPUNCYCOWQAFJ-JKSUJKDBSA-N 1 0 381.523 0.716 20 30 GCEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)CNS(=O)(=O)CCOCC)C(C)C ZINC000268287824 531004846 /nfs/dbraw/zinc/00/48/46/531004846.db2.gz YOJKQLWLISTCQD-INIZCTEOSA-N 1 0 375.535 0.757 20 30 GCEDRO CN(CCC#N)C[C@@H](O)CNCc1nn(C)cc1I ZINC000515166629 531086688 /nfs/dbraw/zinc/08/66/88/531086688.db2.gz XVSZNHPPHDZHKE-JTQLQIEISA-N 1 0 377.230 0.321 20 30 GCEDRO C#CCC[NH+]1CCC(NC(=O)COc2ccc(-c3nn[nH]n3)cc2OC)CC1 ZINC000735375944 598930540 /nfs/dbraw/zinc/93/05/40/598930540.db2.gz UHFGCBSKBZVICP-UHFFFAOYSA-N 1 0 384.440 0.858 20 30 GCEDRO C=C(C)C[NH+]1CCC(Nc2ccc(S(N)(=O)=O)cc2-c2nn[nH]n2)CC1 ZINC000819722724 599540839 /nfs/dbraw/zinc/54/08/39/599540839.db2.gz PQUZDWDTUCFDKI-UHFFFAOYSA-N 1 0 377.474 0.967 20 30 GCEDRO C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000819877400 606698988 /nfs/dbraw/zinc/69/89/88/606698988.db2.gz VJKCDMBPLCUMHS-LLVKDONJSA-N 1 0 394.443 0.935 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)CC(=O)Nc1ccc(C#N)cc1 ZINC000821600702 606700259 /nfs/dbraw/zinc/70/02/59/606700259.db2.gz ZLAZNKRSGRXEIN-UHFFFAOYSA-N 1 0 380.416 0.547 20 30 GCEDRO N#Cc1ccc([C@@H](O)C[NH+]2CCN(c3ncccc3-c3nn[nH]n3)CC2)cc1 ZINC000822825433 606849477 /nfs/dbraw/zinc/84/94/77/606849477.db2.gz FQRONCOIUUUBIZ-KRWDZBQOSA-N 1 0 376.424 0.989 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)Cc2cccc(OCC#N)c2)c1-c1nn[nH]n1 ZINC000826077603 608022060 /nfs/dbraw/zinc/02/20/60/608022060.db2.gz OHAWMQQPZUQWCV-UHFFFAOYSA-N 1 0 395.427 0.825 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCN(S(C)(=O)=O)C2)C1 ZINC000328774996 638494127 /nfs/dbraw/zinc/49/41/27/638494127.db2.gz FBMYFIXEAZTRLT-LSDHHAIUSA-N 1 0 376.523 0.128 20 30 GCEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCC[C@@H](S(C)(=O)=O)C1 ZINC000262365823 638563794 /nfs/dbraw/zinc/56/37/94/638563794.db2.gz HSOVDOHGHGVXNK-UONOGXRCSA-N 1 0 379.548 0.286 20 30 GCEDRO Cc1cc(C#N)ccc1S(=O)(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261614097 638649634 /nfs/dbraw/zinc/64/96/34/638649634.db2.gz BPXWSENZAOPJEG-AWEZNQCLSA-N 1 0 376.404 0.981 20 30 GCEDRO CC[C@@H]1CN(C(NCCS(=O)(=O)N2CCSCC2)=[NH+]C)CCS1 ZINC000261760638 638667445 /nfs/dbraw/zinc/66/74/45/638667445.db2.gz CWDZQFSZMXQGCC-CYBMUJFWSA-N 1 0 380.605 0.768 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000262764890 639136957 /nfs/dbraw/zinc/13/69/57/639136957.db2.gz FWENYEWZAMIAII-CZUORRHYSA-N 1 0 392.591 0.734 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262814002 639139299 /nfs/dbraw/zinc/13/92/99/639139299.db2.gz WDAKOBQZJIDEBP-BFHYXJOUSA-N 1 0 390.575 0.344 20 30 GCEDRO C=C(Br)CNC(=O)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000786625901 641334745 /nfs/dbraw/zinc/33/47/45/641334745.db2.gz HMVMRSAOEGLCKN-CYBMUJFWSA-N 1 0 375.311 0.399 20 30 GCEDRO C=C(Br)CNC(=O)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000787201749 641346978 /nfs/dbraw/zinc/34/69/78/641346978.db2.gz ZULRADGGTUUQKL-UHFFFAOYSA-N 1 0 396.289 0.474 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)N[C@@H](C)CN2CCOCC2)s1 ZINC000874041506 641514824 /nfs/dbraw/zinc/51/48/24/641514824.db2.gz XQWQIIZGKUZDIZ-ZDUSSCGKSA-N 1 0 387.527 0.592 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(CC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)s1 ZINC000874458541 641525904 /nfs/dbraw/zinc/52/59/04/641525904.db2.gz VTEFBEZVJUFUCT-CYBMUJFWSA-N 1 0 386.543 0.117 20 30 GCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2S(=O)(=O)NC)CC1 ZINC000876752900 641569846 /nfs/dbraw/zinc/56/98/46/641569846.db2.gz CQHMEFBFPXNGMZ-CYBMUJFWSA-N 1 0 386.905 0.713 20 30 GCEDRO C[NH+](C)CCCNC(=S)NN=Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000807973139 641677870 /nfs/dbraw/zinc/67/78/70/641677870.db2.gz VSMWKTKJBSWRJD-UHFFFAOYSA-N 1 0 377.923 0.737 20 30 GCEDRO C=C(Br)CNC(=O)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000804008184 642209464 /nfs/dbraw/zinc/20/94/64/642209464.db2.gz JVJVBLXVDUTBDQ-UHFFFAOYSA-N 1 0 387.322 0.686 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc2ncc(I)n2c1 ZINC000834480507 642212978 /nfs/dbraw/zinc/21/29/78/642212978.db2.gz RCIZLQGZJIDKRG-VHSXEESVSA-N 1 0 381.177 0.780 20 30 GCEDRO COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834500121 642213548 /nfs/dbraw/zinc/21/35/48/642213548.db2.gz QJJOSDGTFMLKEU-YGRLFVJLSA-N 1 0 386.861 0.106 20 30 GCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)N1C(=O)c2ccc(Br)cc2C1=O ZINC000834501086 642213847 /nfs/dbraw/zinc/21/38/47/642213847.db2.gz ZHIFUUCZJRSMQL-ZDMBXUJBSA-N 1 0 391.225 0.661 20 30 GCEDRO CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834504473 642213910 /nfs/dbraw/zinc/21/39/10/642213910.db2.gz BTLKIRSTAFCBBK-AEGPPILISA-N 1 0 382.511 0.314 20 30 GCEDRO Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N[C@H]3C[NH2+]C[C@H]3C#N)C2)s1 ZINC000834516647 642214535 /nfs/dbraw/zinc/21/45/35/642214535.db2.gz KHSZWPZKFJAKKZ-MJBXVCDLSA-N 1 0 382.511 0.685 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CN1C(=O)COc2cc(Br)ccc21 ZINC000834521602 642214633 /nfs/dbraw/zinc/21/46/33/642214633.db2.gz OAAJNRORVGQTQP-MWLCHTKSSA-N 1 0 379.214 0.402 20 30 GCEDRO C#CCC[NH+]1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000840951907 642289181 /nfs/dbraw/zinc/28/91/81/642289181.db2.gz MRJYFCSCSZYUOY-UHFFFAOYSA-N 1 0 385.511 0.361 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CNS(=O)(=O)c1ccccc1C(F)(F)F ZINC000843461128 642370124 /nfs/dbraw/zinc/37/01/24/642370124.db2.gz SFDHFGMGOHUZCC-GXSJLCMTSA-N 1 0 376.360 0.211 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CS(=O)(=O)Cc1ccc(Br)cc1 ZINC000843461853 642370795 /nfs/dbraw/zinc/37/07/95/642370795.db2.gz NSGDMXIDKVFMTA-AAEUAGOBSA-N 1 0 386.271 0.592 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1sccc1S(=O)(=O)N1CCSCC1 ZINC000843461749 642371087 /nfs/dbraw/zinc/37/10/87/642371087.db2.gz NBNWTCUYOLZCCP-MNOVXSKESA-N 1 0 386.524 0.327 20 30 GCEDRO C#CCNS(=O)(=O)CCCCS(=O)(=O)N1CCN(C)c2cc[nH+]cc21 ZINC000848967918 642613552 /nfs/dbraw/zinc/61/35/52/642613552.db2.gz JGJNGZDDUDZSBY-UHFFFAOYSA-N 1 0 386.499 0.000 20 30 GCEDRO C[NH+]=C(NCCN1CCOCC1)NCCn1cc(Br)ccc1=O ZINC000849113766 642624310 /nfs/dbraw/zinc/62/43/10/642624310.db2.gz RXGOJIYFKPIULY-UHFFFAOYSA-N 1 0 386.294 0.108 20 30 GCEDRO CC[N@@H+]1CCC[C@@H](CN(C)C(=O)NCC(=O)NCC#N)[C@@H]1c1cnn(C)c1 ZINC000511923807 1192210377 /nfs/dbraw/zinc/21/03/77/1192210377.db2.gz RQQVKXBWJOONGM-WMLDXEAASA-N 1 0 375.477 0.474 20 30 GCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000662166837 1192251319 /nfs/dbraw/zinc/25/13/19/1192251319.db2.gz JBSZBFMROQEJLS-CQSZACIVSA-N 1 0 387.440 0.069 20 30 GCEDRO C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[C@@H]3C(=O)N[C@@H]3CCS(=O)(=O)C3)C[C@H]2C1 ZINC000330251778 1192253245 /nfs/dbraw/zinc/25/32/45/1192253245.db2.gz NTVKHCRWKZFVGS-BPKGMFCQSA-N 1 0 397.541 0.956 20 30 GCEDRO CCOC(=O)CO/N=C(/C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)c1cc[nH]n1 ZINC000278863958 1192282926 /nfs/dbraw/zinc/28/29/26/1192282926.db2.gz XIAXLDNVZCSIKG-PFKVCDDJSA-N 1 0 379.461 0.788 20 30 GCEDRO C=CCNC(=O)C[N@H+](C)CC1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001481517089 1192338698 /nfs/dbraw/zinc/33/86/98/1192338698.db2.gz VNIRMCXMOZYZLP-JENIJYKNSA-N 1 0 379.501 0.511 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H]2CCC[C@]2(C[NH2+]CC(=O)NCCCOC)C1 ZINC001112532517 1192380619 /nfs/dbraw/zinc/38/06/19/1192380619.db2.gz HHOIFVJQDDGEFW-NYUBLWNDSA-N 1 0 393.528 0.949 20 30 GCEDRO N#CCN1CCC(NC(=O)C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000585728715 1192397835 /nfs/dbraw/zinc/39/78/35/1192397835.db2.gz FMAFQIWJDBREKZ-LJQANCHMSA-N 1 0 383.496 0.871 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000585725229 1192398773 /nfs/dbraw/zinc/39/87/73/1192398773.db2.gz KHKHXECFWQPURD-VAMGGRTRSA-N 1 0 395.507 0.966 20 30 GCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCN(c2ccc(C#N)cn2)CC1 ZINC000585774360 1192410027 /nfs/dbraw/zinc/41/00/27/1192410027.db2.gz KLPGHERXNIPBPC-OAHLLOKOSA-N 1 0 386.500 0.885 20 30 GCEDRO C[NH+](C)C1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCOCC1 ZINC000571606839 1192490543 /nfs/dbraw/zinc/49/05/43/1192490543.db2.gz WGRCHEDXZYANHB-UHFFFAOYSA-N 1 0 380.470 0.064 20 30 GCEDRO C#CCn1ccc(CN(CC)C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)n1 ZINC000279347515 1192527910 /nfs/dbraw/zinc/52/79/10/1192527910.db2.gz CILIJJYXKDWHFP-SFHVURJKSA-N 1 0 388.516 0.991 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000572392162 1192602825 /nfs/dbraw/zinc/60/28/25/1192602825.db2.gz VPEXMRKEEGFONH-QZTJIDSGSA-N 1 0 396.495 0.450 20 30 GCEDRO N#Cc1c(N)n(-c2ccc(F)cc2)nc1CCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418680566 1192629883 /nfs/dbraw/zinc/62/98/83/1192629883.db2.gz YCBUMOYLUUTDSD-QLPKVWCKSA-N 1 0 383.431 0.915 20 30 GCEDRO CN1CC[NH2+]C[C@@H]1CNC(=O)NCCCc1nn(-c2ccccc2)c(N)c1C#N ZINC000418752619 1192639743 /nfs/dbraw/zinc/63/97/43/1192639743.db2.gz BXMNBAKRIMGDIL-MRXNPFEDSA-N 1 0 396.499 0.462 20 30 GCEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418788868 1192644134 /nfs/dbraw/zinc/64/41/34/1192644134.db2.gz LLIKOVTYNUAIBN-MRXNPFEDSA-N 1 0 397.483 0.936 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC(C[NH3+])CC3)C2)c(F)c1 ZINC000418851310 1192665491 /nfs/dbraw/zinc/66/54/91/1192665491.db2.gz FERMGIHFDXMLSD-INIZCTEOSA-N 1 0 387.459 0.980 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418853738 1192667039 /nfs/dbraw/zinc/66/70/39/1192667039.db2.gz KFHXOYOTECALOR-HOTGVXAUSA-N 1 0 387.459 0.993 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NCC[C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000418855695 1192668120 /nfs/dbraw/zinc/66/81/20/1192668120.db2.gz NHTXZWNNFNBTJI-GDBMZVCRSA-N 1 0 387.459 0.898 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@H](C)[NH2+]1 ZINC000418857632 1192670137 /nfs/dbraw/zinc/67/01/37/1192670137.db2.gz SMLULZAFIUXKQJ-IJEWVQPXSA-N 1 0 387.459 0.991 20 30 GCEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000418860040 1192670596 /nfs/dbraw/zinc/67/05/96/1192670596.db2.gz ZDOIPKDRMRUQOG-MGPUTAFESA-N 1 0 387.459 0.980 20 30 GCEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]1 ZINC000418901042 1192683227 /nfs/dbraw/zinc/68/32/27/1192683227.db2.gz DUORKFHAOYYPQM-UKPHBRMFSA-N 1 0 383.452 0.427 20 30 GCEDRO C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]1 ZINC000418901041 1192683384 /nfs/dbraw/zinc/68/33/84/1192683384.db2.gz DUORKFHAOYYPQM-KMFMINBZSA-N 1 0 383.452 0.427 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418902011 1192683725 /nfs/dbraw/zinc/68/37/25/1192683725.db2.gz GLFDSNOLBCWZAS-MRXNPFEDSA-N 1 0 385.468 0.613 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)C2=O)cc1 ZINC000418904383 1192684413 /nfs/dbraw/zinc/68/44/13/1192684413.db2.gz IZZORFOGWHKCAN-RDJZCZTQSA-N 1 0 383.452 0.286 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2=O)cc1 ZINC000418908241 1192686228 /nfs/dbraw/zinc/68/62/28/1192686228.db2.gz MNRZVSXLMCIRIH-INMHGKMJSA-N 1 0 383.452 0.413 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)C[C@@H](C)[NH2+]1 ZINC000418908185 1192686552 /nfs/dbraw/zinc/68/65/52/1192686552.db2.gz MKLUTUGRSYFRKO-CKEIUWERSA-N 1 0 383.452 0.379 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC1 ZINC000418908249 1192686604 /nfs/dbraw/zinc/68/66/04/1192686604.db2.gz MORIRXHJCDGMAH-GOSISDBHSA-N 1 0 397.479 0.628 20 30 GCEDRO 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CHOICCKMDUFJOL-INIZCTEOSA-N 1 0 377.470 0.311 20 30 GCEDRO CN(CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000584586776 1189815286 /nfs/dbraw/zinc/81/52/86/1189815286.db2.gz YPJPQGXWRBHHEV-DOTOQJQBSA-N 1 0 376.482 0.731 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC000661008541 1189980150 /nfs/dbraw/zinc/98/01/50/1189980150.db2.gz ZKBLUJNZRZKUNL-MOPGFXCFSA-N 1 0 398.507 0.965 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000125179677 1189983385 /nfs/dbraw/zinc/98/33/85/1189983385.db2.gz CKDJHEIAFFMNBP-AWEZNQCLSA-N 1 0 383.460 0.849 20 30 GCEDRO C[NH+](C)Cc1ccc(S(=O)(=O)N(CCC#N)CCN2CCOCC2)cc1 ZINC000433098089 1193750670 /nfs/dbraw/zinc/75/06/70/1193750670.db2.gz ROMFGSJJGSUYTL-UHFFFAOYSA-N 1 0 380.514 0.985 20 30 GCEDRO C[NH+]=C(NC[C@H](c1ccco1)N(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261727456 1193795941 /nfs/dbraw/zinc/79/59/41/1193795941.db2.gz JBHNZURCUIQXAK-AUUYWEPGSA-N 1 0 390.488 0.768 20 30 GCEDRO 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1193923147 /nfs/dbraw/zinc/92/31/47/1193923147.db2.gz HBKCQVAXAGASQT-QGZVFWFLSA-N 1 0 386.456 0.386 20 30 GCEDRO CC[NH+]=C(NCC(=O)N1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261709137 1193923567 /nfs/dbraw/zinc/92/35/67/1193923567.db2.gz JUBMBTZPSAUFTL-UHFFFAOYSA-N 1 0 375.477 0.047 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261742396 1193924340 /nfs/dbraw/zinc/92/43/40/1193924340.db2.gz KWOQFWRQDGLZQT-IBGZPJMESA-N 1 0 396.495 0.954 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261814254 1193927264 /nfs/dbraw/zinc/92/72/64/1193927264.db2.gz SYBBJDIDTDTBAC-UHFFFAOYSA-N 1 0 384.488 0.224 20 30 GCEDRO CNC(=O)CNC(=[NH+]C)N1CCN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000261827400 1193928090 /nfs/dbraw/zinc/92/80/90/1193928090.db2.gz IUOIGJCIMFHUSH-CYBMUJFWSA-N 1 0 379.892 0.737 20 30 GCEDRO CC[NH+]=C(NCCC(=O)N1CCOCC1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261843747 1193928575 /nfs/dbraw/zinc/92/85/75/1193928575.db2.gz WXMUJVICZKBXGW-INIZCTEOSA-N 1 0 378.477 0.008 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000261855667 1193928981 /nfs/dbraw/zinc/92/89/81/1193928981.db2.gz MUQWUSNWZGZWME-NQIIRXRSSA-N 1 0 386.496 0.719 20 30 GCEDRO CCC(CC)(NC(=O)C1C[NH+](CCC(=O)Nc2ccc(C#N)cc2)C1)C(N)=O ZINC000513257023 1193929800 /nfs/dbraw/zinc/92/98/00/1193929800.db2.gz OWKVBBWQEQXHNH-UHFFFAOYSA-N 1 0 385.468 0.979 20 30 GCEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000261943762 1193932427 /nfs/dbraw/zinc/93/24/27/1193932427.db2.gz FEWMYWKVNFSZRV-HNNXBMFYSA-N 1 0 375.477 0.078 20 30 GCEDRO C[NH+]=C(NCc1cccnc1N1CCOCC1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261955812 1193933248 /nfs/dbraw/zinc/93/32/48/1193933248.db2.gz IQMSCTKBDLBDQI-UHFFFAOYSA-N 1 0 395.529 0.503 20 30 GCEDRO C[C@@H]1CN(c2ccc(CNC(=[NH2+])N3CCN(c4ncccn4)CC3)cn2)CCO1 ZINC000261969669 1193933857 /nfs/dbraw/zinc/93/38/57/1193933857.db2.gz CSJMIRPJFVJZKG-MRXNPFEDSA-N 1 0 396.499 0.734 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000262005936 1193935389 /nfs/dbraw/zinc/93/53/89/1193935389.db2.gz VPMZCDMTSPRBLY-FOIQADDNSA-N 1 0 384.484 0.738 20 30 GCEDRO [NH2+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCN(c2ncccn2)CC1 ZINC000262009556 1193935502 /nfs/dbraw/zinc/93/55/02/1193935502.db2.gz SVSQIRKLCLNPKQ-UHFFFAOYSA-N 1 0 379.468 0.498 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261998612 1193935609 /nfs/dbraw/zinc/93/56/09/1193935609.db2.gz SZDLTNGWDQHXKN-OAQYLSRUSA-N 1 0 387.528 0.492 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N[C@H]1CCc2nc(COC)nn2C1 ZINC000262005421 1193935655 /nfs/dbraw/zinc/93/56/55/1193935655.db2.gz VNULEUCUALZZSF-HNNXBMFYSA-N 1 0 397.483 0.494 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCc2ncnn2C1 ZINC000262241542 1193942479 /nfs/dbraw/zinc/94/24/79/1193942479.db2.gz ABISCTSSFZELEJ-GOEBONIOSA-N 1 0 397.483 0.740 20 30 GCEDRO C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCN(c2ncccn2)CC1 ZINC000262569636 1193951318 /nfs/dbraw/zinc/95/13/18/1193951318.db2.gz MPGVWTYBIGBSNZ-UHFFFAOYSA-N 1 0 396.499 0.606 20 30 GCEDRO C[NH+]=C(NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)N1CCCC1 ZINC000262614236 1193952611 /nfs/dbraw/zinc/95/26/11/1193952611.db2.gz BGKJMWQDMICCEF-UHFFFAOYSA-N 1 0 379.530 0.794 20 30 GCEDRO Cc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1S(=O)(=O)NCC#N ZINC000413814759 1193956611 /nfs/dbraw/zinc/95/66/11/1193956611.db2.gz IUVFCTKKXNGQTA-MRXNPFEDSA-N 1 0 394.497 0.374 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@H](C(N)=O)C2)c(F)c1 ZINC000433885700 1193956879 /nfs/dbraw/zinc/95/68/79/1193956879.db2.gz PRUFNWVUXSYOFP-ZDUSSCGKSA-N 1 0 375.404 0.339 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000280114377 1193977101 /nfs/dbraw/zinc/97/71/01/1193977101.db2.gz CTTWZLUCTHCAIH-SFHVURJKSA-N 1 0 378.473 0.369 20 30 GCEDRO C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261802998 1194000347 /nfs/dbraw/zinc/00/03/47/1194000347.db2.gz RQSFSFSYWJISJQ-SFHVURJKSA-N 1 0 380.493 0.034 20 30 GCEDRO CC[NH+]=C(NCC(=O)N1CCCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261809696 1194072254 /nfs/dbraw/zinc/07/22/54/1194072254.db2.gz SIMTZYJXKUMCFQ-LJQANCHMSA-N 1 0 392.504 0.275 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419848973 1194114304 /nfs/dbraw/zinc/11/43/04/1194114304.db2.gz XJNFPNIDHXTSOL-ZDUSSCGKSA-N 1 0 398.423 0.323 20 30 GCEDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000419840579 1194118873 /nfs/dbraw/zinc/11/88/73/1194118873.db2.gz DJAKQSLJDSMKDK-UHFFFAOYSA-N 1 0 386.412 0.181 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c(Cl)c1 ZINC000419875420 1194129478 /nfs/dbraw/zinc/12/94/78/1194129478.db2.gz WQPRFIAJBKBEAP-OAHLLOKOSA-N 1 0 375.860 0.714 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419887240 1194133509 /nfs/dbraw/zinc/13/35/09/1194133509.db2.gz DDASRSFEWCCFJO-INIZCTEOSA-N 1 0 392.463 0.623 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[NH2+]C1 ZINC000419885544 1194133709 /nfs/dbraw/zinc/13/37/09/1194133709.db2.gz KDDGAQJCVJPKBO-HOCLYGCPSA-N 1 0 387.459 0.850 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCC[NH2+]C2)C[C@@]12C(=O)Nc1ccccc12 ZINC000419920011 1194138531 /nfs/dbraw/zinc/13/85/31/1194138531.db2.gz BNFXLVYFTRDPOM-LAPQFRIASA-N 1 0 381.436 0.117 20 30 GCEDRO CCC[NH2+]CCNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419911695 1194142851 /nfs/dbraw/zinc/14/28/51/1194142851.db2.gz UJPLFKFJIOQQKH-UHFFFAOYSA-N 1 0 385.468 0.851 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000419962255 1194148109 /nfs/dbraw/zinc/14/81/09/1194148109.db2.gz UAAKGAACOWRWTE-LRDNONRASA-N 1 0 383.452 0.348 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419969286 1194149785 /nfs/dbraw/zinc/14/97/85/1194149785.db2.gz RQFVXSXXIUXYCY-GDBMZVCRSA-N 1 0 399.499 0.409 20 30 GCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000419976825 1194150904 /nfs/dbraw/zinc/15/09/04/1194150904.db2.gz LOTRDRQISOFYJA-HNNXBMFYSA-N 1 0 375.448 0.836 20 30 GCEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000419981404 1194151999 /nfs/dbraw/zinc/15/19/99/1194151999.db2.gz RYZWXASJZUYQMA-KRWDZBQOSA-N 1 0 385.468 0.835 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000420021635 1194158414 /nfs/dbraw/zinc/15/84/14/1194158414.db2.gz UMHBEQWEXZAVBT-MOPGFXCFSA-N 1 0 383.496 0.836 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@@H](C#N)C1 ZINC000420037139 1194165384 /nfs/dbraw/zinc/16/53/84/1194165384.db2.gz LSKBHVSBIHKSDF-RYQLBKOJSA-N 1 0 399.495 0.452 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000420037138 1194165549 /nfs/dbraw/zinc/16/55/49/1194165549.db2.gz LSKBHVSBIHKSDF-JQHSSLGASA-N 1 0 399.495 0.452 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CCC[NH2+]C1 ZINC000420100869 1194177878 /nfs/dbraw/zinc/17/78/78/1194177878.db2.gz KVEZFMHMENVHQO-RXVVDRJESA-N 1 0 383.496 0.729 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@]12c1ccccc1NC2=O ZINC000420096325 1194183454 /nfs/dbraw/zinc/18/34/54/1194183454.db2.gz ZMDHGFOLFGEHIH-ZVGUJKQYSA-N 1 0 395.463 0.492 20 30 GCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420140644 1194192429 /nfs/dbraw/zinc/19/24/29/1194192429.db2.gz CFTPPTFVRDMEAF-RXIQLXCPSA-N 1 0 381.436 0.115 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000420205628 1194204827 /nfs/dbraw/zinc/20/48/27/1194204827.db2.gz NSEXHDYCWKCSIG-IXDOHACOSA-N 1 0 399.470 0.850 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420211153 1194212664 /nfs/dbraw/zinc/21/26/64/1194212664.db2.gz HQNHXXVJDGYLDS-HNNXBMFYSA-N 1 0 397.401 0.469 20 30 GCEDRO CCO[C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000982961456 1194227931 /nfs/dbraw/zinc/22/79/31/1194227931.db2.gz RYJNIXLTSBHUAR-GZOSKZMVSA-N 1 0 387.484 0.820 20 30 GCEDRO C[NH+]=C(NCC1(CCO)CCCC1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261822274 1194228479 /nfs/dbraw/zinc/22/84/79/1194228479.db2.gz UPSWXZJNYAKQKN-GOSISDBHSA-N 1 0 379.505 0.815 20 30 GCEDRO CC(C)(CC#N)CNC(=O)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000420864521 1194271992 /nfs/dbraw/zinc/27/19/92/1194271992.db2.gz UBODLELDOMGPFQ-UHFFFAOYSA-N 1 0 385.512 0.976 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N2CCC[N@H+](C)CC2)c(C#N)cn1CC ZINC000421202469 1194308710 /nfs/dbraw/zinc/30/87/10/1194308710.db2.gz OTQLMRODMYVTMJ-UHFFFAOYSA-N 1 0 375.429 0.659 20 30 GCEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261849121 1194368056 /nfs/dbraw/zinc/36/80/56/1194368056.db2.gz XBRATWOPHNCBGY-UHFFFAOYSA-N 1 0 375.408 0.257 20 30 GCEDRO C[C@@H]1C[C@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103888 1194386226 /nfs/dbraw/zinc/38/62/26/1194386226.db2.gz OIBFUQZNEQCZGX-APWZRJJASA-N 1 0 386.496 0.925 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000422092689 1194389594 /nfs/dbraw/zinc/38/95/94/1194389594.db2.gz DHKSNKXUHDNYSV-LJQANCHMSA-N 1 0 383.496 0.755 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000422150448 1194399916 /nfs/dbraw/zinc/39/99/16/1194399916.db2.gz ZPBUUKRSFSZRDO-RBUKOAKNSA-N 1 0 383.496 0.776 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000422150450 1194400087 /nfs/dbraw/zinc/40/00/87/1194400087.db2.gz ZPBUUKRSFSZRDO-RTBURBONSA-N 1 0 383.496 0.776 20 30 GCEDRO CCN1CCC[C@H]1CNC(=[NH2+])NCCS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000273474390 1194566380 /nfs/dbraw/zinc/56/63/80/1194566380.db2.gz JZCILFDMNGIZTD-AWEZNQCLSA-N 1 0 383.474 0.757 20 30 GCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000422323932 1194613950 /nfs/dbraw/zinc/61/39/50/1194613950.db2.gz VAOGBBDBPORDQD-QGZVFWFLSA-N 1 0 380.533 0.760 20 30 GCEDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000422312442 1194616899 /nfs/dbraw/zinc/61/68/99/1194616899.db2.gz SHXOTCXAJFFBND-JKSUJKDBSA-N 1 0 387.459 0.993 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000422392380 1194634482 /nfs/dbraw/zinc/63/44/82/1194634482.db2.gz YFQIAULHPYXIHZ-ZWKOTPCHSA-N 1 0 397.479 0.722 20 30 GCEDRO C[NH+](C)CCn1cc(NC(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)cn1 ZINC000126384937 1194712857 /nfs/dbraw/zinc/71/28/57/1194712857.db2.gz NBZLCMMLPCLAHR-UHFFFAOYSA-N 1 0 395.467 0.604 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CCCO[C@H](C[NH3+])C3)CC2)cc1 ZINC000423029455 1194719696 /nfs/dbraw/zinc/71/96/96/1194719696.db2.gz AJNBIRVBWUOUTQ-LJQANCHMSA-N 1 0 399.495 0.169 20 30 GCEDRO C[NH2+][C@H]1CCCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033828 1194720607 /nfs/dbraw/zinc/72/06/07/1194720607.db2.gz HERVMCSRBRQCEV-IBGZPJMESA-N 1 0 383.496 0.803 20 30 GCEDRO C[C@]1(C[NH3+])CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423038759 1194720853 /nfs/dbraw/zinc/72/08/53/1194720853.db2.gz OYNHUIFZQJHCHI-OAQYLSRUSA-N 1 0 383.496 0.790 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423041830 1194721687 /nfs/dbraw/zinc/72/16/87/1194721687.db2.gz XVUWYUSNBYYMAP-VQTJNVASSA-N 1 0 395.507 0.660 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000423083804 1194726455 /nfs/dbraw/zinc/72/64/55/1194726455.db2.gz HAZVQOUNVLZHDO-GOSISDBHSA-N 1 0 397.479 0.187 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C[C@H]1C[NH3+] ZINC000423144154 1194733404 /nfs/dbraw/zinc/73/34/04/1194733404.db2.gz GDUFKCBTVXBFTQ-HUUCEWRRSA-N 1 0 387.459 0.789 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423245732 1194743470 /nfs/dbraw/zinc/74/34/70/1194743470.db2.gz JHUZNYZROCXJNA-LJQANCHMSA-N 1 0 399.495 0.039 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000423320702 1194747190 /nfs/dbraw/zinc/74/71/90/1194747190.db2.gz DQXPJHBOTYRIKS-ZGXWSNOMSA-N 1 0 395.507 0.809 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)CCN1Cc1ccccc1 ZINC000423318383 1194747280 /nfs/dbraw/zinc/74/72/80/1194747280.db2.gz BQKTUAYTMZQRLJ-OALUTQOASA-N 1 0 383.496 0.810 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423345061 1194748733 /nfs/dbraw/zinc/74/87/33/1194748733.db2.gz XKXAGLZKHHNOGU-GUDVDZBRSA-N 1 0 381.480 0.433 20 30 GCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000423346123 1194748781 /nfs/dbraw/zinc/74/87/81/1194748781.db2.gz YKIOLCLTAKQWKO-APWZRJJASA-N 1 0 383.496 0.809 20 30 GCEDRO C[NH2+]CC1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)CC1 ZINC000423324001 1194749180 /nfs/dbraw/zinc/74/91/80/1194749180.db2.gz HTJSWDPXWRKACC-IBGZPJMESA-N 1 0 383.496 0.681 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423340727 1194750365 /nfs/dbraw/zinc/75/03/65/1194750365.db2.gz SZRIDURZUMQLDZ-GUDVDZBRSA-N 1 0 381.480 0.291 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000423494808 1194760737 /nfs/dbraw/zinc/76/07/37/1194760737.db2.gz BAQZJZBYDXNZHT-CQSZACIVSA-N 1 0 375.860 0.667 20 30 GCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000423552032 1194765931 /nfs/dbraw/zinc/76/59/31/1194765931.db2.gz BXSPJCRYTSATCN-BRWVUGGUSA-N 1 0 376.501 0.660 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423554199 1194766315 /nfs/dbraw/zinc/76/63/15/1194766315.db2.gz DUJMFZGWWWNHKN-RBZFPXEDSA-N 1 0 383.452 0.302 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CC[C@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000423592054 1194766982 /nfs/dbraw/zinc/76/69/82/1194766982.db2.gz KEWAPOCRACMIQN-KRWDZBQOSA-N 1 0 385.468 0.781 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)C2CC2)cc1 ZINC000423575378 1194769189 /nfs/dbraw/zinc/76/91/89/1194769189.db2.gz VNCKLCCDPVSQCU-IBGZPJMESA-N 1 0 381.480 0.555 20 30 GCEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)CCCC1(C)C ZINC000423578812 1194769712 /nfs/dbraw/zinc/76/97/12/1194769712.db2.gz MPKNGZSTLMQIJX-HOTGVXAUSA-N 1 0 378.517 0.893 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C[NH3+])C1 ZINC000423628617 1194775412 /nfs/dbraw/zinc/77/54/12/1194775412.db2.gz ANZHBNJJWBRVIQ-MOPGFXCFSA-N 1 0 399.495 0.167 20 30 GCEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C2)nc1 ZINC000423643239 1194777315 /nfs/dbraw/zinc/77/73/15/1194777315.db2.gz YIACJPKJYRMOLD-MRXNPFEDSA-N 1 0 383.452 0.535 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@@H]1CC[NH2+]C1 ZINC000423663591 1194781346 /nfs/dbraw/zinc/78/13/46/1194781346.db2.gz OLRNEXAYUANELG-MRXNPFEDSA-N 1 0 387.459 0.946 20 30 GCEDRO CN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423692632 1194783164 /nfs/dbraw/zinc/78/31/64/1194783164.db2.gz ZWVDOBIUNORCKZ-KRWDZBQOSA-N 1 0 385.468 0.363 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCCC[C@@H]3[C@@H](C)[NH3+])CC2)c1C#N ZINC000423699475 1194783781 /nfs/dbraw/zinc/78/37/81/1194783781.db2.gz RBJNPJNKOKHHBY-IUODEOHRSA-N 1 0 390.513 0.700 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c(F)c1 ZINC000423699238 1194783823 /nfs/dbraw/zinc/78/38/23/1194783823.db2.gz PEFVNRZUTHNQFE-OAHLLOKOSA-N 1 0 390.415 0.253 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423675129 1194784240 /nfs/dbraw/zinc/78/42/40/1194784240.db2.gz BEQVMOKKGPRMCV-QCBOUXAHSA-N 1 0 395.463 0.587 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccccc3C#N)CC2)[C@H](C[NH3+])C1 ZINC000423674265 1194784533 /nfs/dbraw/zinc/78/45/33/1194784533.db2.gz PILQGRLGTKNBDK-IRXDYDNUSA-N 1 0 385.468 0.172 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)CC2)c1C#N ZINC000423711855 1194787505 /nfs/dbraw/zinc/78/75/05/1194787505.db2.gz SCHIXJDSKIEQTC-JSGCOSHPSA-N 1 0 390.513 0.415 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)CC2)c1C#N ZINC000423711856 1194787552 /nfs/dbraw/zinc/78/75/52/1194787552.db2.gz SCHIXJDSKIEQTC-OCCSQVGLSA-N 1 0 390.513 0.415 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)[C@@H]1C[NH3+] ZINC000423716949 1194788037 /nfs/dbraw/zinc/78/80/37/1194788037.db2.gz ARNJXEMMXGKENQ-BHIYHBOVSA-N 1 0 383.496 0.809 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1C#N ZINC000423730122 1194790187 /nfs/dbraw/zinc/79/01/87/1194790187.db2.gz KVIWNJDZKGTLDJ-SMDDNHRTSA-N 1 0 376.486 0.168 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424077763 1194800961 /nfs/dbraw/zinc/80/09/61/1194800961.db2.gz OSDGLLYXDPEMEZ-HNNXBMFYSA-N 1 0 395.441 0.449 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000424077764 1194800978 /nfs/dbraw/zinc/80/09/78/1194800978.db2.gz OSDGLLYXDPEMEZ-OAHLLOKOSA-N 1 0 395.441 0.449 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000424104206 1194801766 /nfs/dbraw/zinc/80/17/66/1194801766.db2.gz SCXDBBIEJOGWGI-AWEZNQCLSA-N 1 0 390.469 0.417 20 30 GCEDRO Cn1cc([C@@H]2CN(S(=O)(=O)c3cccc([N+](=O)[O-])c3C#N)C[C@H]2[NH3+])cn1 ZINC000424384506 1194810194 /nfs/dbraw/zinc/81/01/94/1194810194.db2.gz BUVIPAHJLRVLSL-QWHCGFSZSA-N 1 0 376.398 0.315 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)nn1 ZINC000424550743 1194823878 /nfs/dbraw/zinc/82/38/78/1194823878.db2.gz UFUCPDJRLUKWNL-ROUUACIJSA-N 1 0 398.467 0.351 20 30 GCEDRO CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3C)CC2)CC1 ZINC000329735181 1194868350 /nfs/dbraw/zinc/86/83/50/1194868350.db2.gz KTQOAKMQCSHFBA-DOTOQJQBSA-N 1 0 386.562 0.824 20 30 GCEDRO C[C@H]1Cc2nnc(C(=O)NC3CC[NH+](C)CC3)n2CCN1C(=O)CCS ZINC001269879235 1194876610 /nfs/dbraw/zinc/87/66/10/1194876610.db2.gz LRQHIGINPHEAOE-LBPRGKRZSA-N 1 0 380.518 0.195 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](CNC(=O)C2CC[NH+](C)CC2)[C@H](OCC)C1 ZINC000983335903 1194927567 /nfs/dbraw/zinc/92/75/67/1194927567.db2.gz NUSJPIBDJQAXGG-AKHDSKFASA-N 1 0 393.528 0.899 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccccc4C#N)CC3)[C@@H]2C1 ZINC000425378777 1194930815 /nfs/dbraw/zinc/93/08/15/1194930815.db2.gz CMRSAUHLPJGEDQ-PKOBYXMFSA-N 1 0 381.480 0.759 20 30 GCEDRO Cc1cc(S(=O)(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)ccc1C#N ZINC000515141938 1194948448 /nfs/dbraw/zinc/94/84/48/1194948448.db2.gz MNBKLHGQZRHVPN-UHFFFAOYSA-N 1 0 392.525 0.942 20 30 GCEDRO COCC(C)(C)[NH+]1CCN(CC(=O)N2CCN([C@H](C#N)C(C)C)CC2)CC1 ZINC000425507369 1194994794 /nfs/dbraw/zinc/99/47/94/1194994794.db2.gz QHDLGBFHTKMOOJ-GOSISDBHSA-N 1 0 379.549 0.721 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001270071013 1194995072 /nfs/dbraw/zinc/99/50/72/1194995072.db2.gz JHHXQTIQSAPHCS-GIRNWQOFSA-N 1 0 381.476 0.954 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1cccc(NC(=O)CCN2CCOCC2)c1 ZINC000516179077 1195029811 /nfs/dbraw/zinc/02/98/11/1195029811.db2.gz YDPQKOHFFBPFOF-GOSISDBHSA-N 1 0 387.484 0.985 20 30 GCEDRO C[NH+](C)CCCOc1cnccc1CNC(=O)C(=O)Nc1cccc(C#N)n1 ZINC000516465076 1195056620 /nfs/dbraw/zinc/05/66/20/1195056620.db2.gz LFZNNNOQSSNJFA-UHFFFAOYSA-N 1 0 382.424 0.934 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000437034708 1195060212 /nfs/dbraw/zinc/06/02/12/1195060212.db2.gz VEYULERGTCQOEU-PBHICJAKSA-N 1 0 375.473 1.186 20 30 GCEDRO CC(=O)N[C@@H](CS)C(=O)N1CCC2(CCC[N@@H+](CC(=O)N(C)C)C2)CC1 ZINC001270180448 1195078010 /nfs/dbraw/zinc/07/80/10/1195078010.db2.gz XSGNGQRQFDUXQJ-HNNXBMFYSA-N 1 0 384.546 0.214 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)CC2)nc1 ZINC000516629551 1195078695 /nfs/dbraw/zinc/07/86/95/1195078695.db2.gz FJBFKVAAKMHXQJ-GOSISDBHSA-N 1 0 396.495 0.689 20 30 GCEDRO C[NH+](C)C1(CNC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)CCOCC1 ZINC000506022561 1195093348 /nfs/dbraw/zinc/09/33/48/1195093348.db2.gz NTSVNWRQSKJITC-UHFFFAOYSA-N 1 0 379.482 0.700 20 30 GCEDRO C[NH+](C)CCn1c2cc(NC(=O)C(=O)N[C@@H]3CC[C@H](C#N)C3)ccc2oc1=O ZINC000425800566 1195107347 /nfs/dbraw/zinc/10/73/47/1195107347.db2.gz FNKALWGULNVEBL-QWHCGFSZSA-N 1 0 385.424 0.903 20 30 GCEDRO C[C@@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000516871138 1195107660 /nfs/dbraw/zinc/10/76/60/1195107660.db2.gz AEMLDNCLAWTCHG-LBPRGKRZSA-N 1 0 378.454 0.521 20 30 GCEDRO C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)cc1 ZINC000516958224 1195117574 /nfs/dbraw/zinc/11/75/74/1195117574.db2.gz LLGWOGDMFPUVJR-UHFFFAOYSA-N 1 0 378.436 0.960 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000425900441 1195158419 /nfs/dbraw/zinc/15/84/19/1195158419.db2.gz QQPDHNNUVXASNZ-RYRKJORJSA-N 1 0 378.517 0.321 20 30 GCEDRO C[NH+](C)CCN1CC2(CN(C(=O)[C@H](C#N)Cc3cccs3)C2)OCC1=O ZINC001270293320 1195178671 /nfs/dbraw/zinc/17/86/71/1195178671.db2.gz HMOYUBJPFBSISQ-AWEZNQCLSA-N 1 0 376.482 0.432 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)c1C#N ZINC000517502862 1195187514 /nfs/dbraw/zinc/18/75/14/1195187514.db2.gz PHTADRSNILOMBG-BETUJISGSA-N 1 0 386.456 0.937 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CCN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1C#N ZINC000517502865 1195187616 /nfs/dbraw/zinc/18/76/16/1195187616.db2.gz PHTADRSNILOMBG-CHWSQXEVSA-N 1 0 386.456 0.937 20 30 GCEDRO C#CCN(C(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC001270331855 1195207628 /nfs/dbraw/zinc/20/76/28/1195207628.db2.gz NXZRVBADOIITKW-XUFBONQXSA-N 1 0 385.508 0.957 20 30 GCEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCN(C)c1ccc(S(N)(=O)=O)cc1 ZINC000295163811 1195273681 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PDNHOWNLQZDLIJ-HNNXBMFYSA-N 1 0 399.476 0.969 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCC(C)(C)N3CCOCC3)=[NH+]C[C@H]2C1 ZINC000305014804 1197327150 /nfs/dbraw/zinc/32/71/50/1197327150.db2.gz LPVIYIYSZSZVHH-HNNXBMFYSA-N 1 0 381.521 0.978 20 30 GCEDRO CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)NCCNc2ccc(C#N)cn2)CC1=O ZINC000729627484 1197360759 /nfs/dbraw/zinc/36/07/59/1197360759.db2.gz MGYAJSBDSVGJIS-DLBZAZTESA-N 1 0 384.484 0.814 20 30 GCEDRO Cn1ncc(I)c1CNC(=O)NCC#CC[NH+](C)C ZINC001687406152 1197396877 /nfs/dbraw/zinc/39/68/77/1197396877.db2.gz GDTADTJHACBWON-UHFFFAOYSA-N 1 0 375.214 0.389 20 30 GCEDRO CCN(CCC(=O)Nc1ccccc1C#N)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000532760887 1197409375 /nfs/dbraw/zinc/40/93/75/1197409375.db2.gz MVHNGOGFUNGXOS-HNNXBMFYSA-N 1 0 392.481 0.512 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)n(CCC#N)n1 ZINC000533457130 1197452193 /nfs/dbraw/zinc/45/21/93/1197452193.db2.gz AJNSNQQXTHNYQI-HNNXBMFYSA-N 1 0 376.461 0.613 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)n(CCC#N)n1 ZINC000533466727 1197453292 /nfs/dbraw/zinc/45/32/92/1197453292.db2.gz PUADQCWSABPKKJ-HNNXBMFYSA-N 1 0 376.461 0.517 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)N1CC[C@@]2(CCOC2)C1 ZINC000179198466 1197488492 /nfs/dbraw/zinc/48/84/92/1197488492.db2.gz LXMBKLHBHOLLKM-MRXNPFEDSA-N 1 0 394.488 0.939 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3c[nH]cn3)[C@H]2C)CC1 ZINC000988750703 1197501745 /nfs/dbraw/zinc/50/17/45/1197501745.db2.gz STZVXNIPTKROIK-DDBAPUKQSA-N 1 0 383.496 0.964 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)C1=O ZINC000262086431 1197522304 /nfs/dbraw/zinc/52/23/04/1197522304.db2.gz UBALCPWNZKRWRU-AWEZNQCLSA-N 1 0 390.827 0.790 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262105771 1197524798 /nfs/dbraw/zinc/52/47/98/1197524798.db2.gz UDEZHVKTEAFDTF-INIZCTEOSA-N 1 0 378.498 0.271 20 30 GCEDRO C=CC[C@@H](CO)NC(=O)c1cc(S(=O)(=O)NCCC[NH+](C)C)ccc1C ZINC000273535653 1197565614 /nfs/dbraw/zinc/56/56/14/1197565614.db2.gz XELFCWQFUWZMEN-HNNXBMFYSA-N 1 0 383.514 0.892 20 30 GCEDRO C[C@@H]1C[C@H](C)C[C@@]2(C1)NC(=O)N(CC(=O)NC1(C#N)CC[NH+](C)CC1)C2=O ZINC000533850115 1197572947 /nfs/dbraw/zinc/57/29/47/1197572947.db2.gz PMMHABYMEGQZTI-HBCWATKFSA-N 1 0 375.473 0.837 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000542801258 1199051720 /nfs/dbraw/zinc/05/17/20/1199051720.db2.gz QWWVTWCCZPVGAG-ZWKOTPCHSA-N 1 0 384.484 0.599 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000542801257 1199052086 /nfs/dbraw/zinc/05/20/86/1199052086.db2.gz QWWVTWCCZPVGAG-ROUUACIJSA-N 1 0 384.484 0.599 20 30 GCEDRO C[NH2+]C[C@H](C)CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419951746 1199353759 /nfs/dbraw/zinc/35/37/59/1199353759.db2.gz NSIIACIPQMRQBI-HNNXBMFYSA-N 1 0 394.479 0.727 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[nH]c(=O)c2)CC1 ZINC001003363697 1199511082 /nfs/dbraw/zinc/51/10/82/1199511082.db2.gz SCFADBGTDQESNI-KURKYZTESA-N 1 0 382.464 0.994 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)c1 ZINC000673517227 1199730471 /nfs/dbraw/zinc/73/04/71/1199730471.db2.gz SFTGQHCILAOFEO-CVEARBPZSA-N 1 0 379.482 0.432 20 30 GCEDRO C=CCNC(=O)NC(=O)CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000466499489 1199753208 /nfs/dbraw/zinc/75/32/08/1199753208.db2.gz NDUAPYVILBJSPO-LJQANCHMSA-N 1 0 385.424 0.195 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N(CCC(F)(F)F)C[C@H](O)CO)CC1 ZINC000672356312 1199779411 /nfs/dbraw/zinc/77/94/11/1199779411.db2.gz OZNNYHPMNGEDCN-AWEZNQCLSA-N 1 0 395.422 0.277 20 30 GCEDRO C=CCn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000508949972 1199821329 /nfs/dbraw/zinc/82/13/29/1199821329.db2.gz JPFAVOIWBGWHAN-UHFFFAOYSA-N 1 0 389.504 0.347 20 30 GCEDRO CN(CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000329430739 1199841350 /nfs/dbraw/zinc/84/13/50/1199841350.db2.gz KFKKBBVBUXCLRF-WBVHZDCISA-N 1 0 376.482 0.731 20 30 GCEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000155618624 1199866134 /nfs/dbraw/zinc/86/61/34/1199866134.db2.gz PZFQEDMTHAYINM-INIZCTEOSA-N 1 0 385.516 0.848 20 30 GCEDRO CC[NH+]=C(NCc1nnc2n1CCC2)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073775981 1199894604 /nfs/dbraw/zinc/89/46/04/1199894604.db2.gz ILAYRFWEBHTDHS-AWEZNQCLSA-N 1 0 375.477 0.013 20 30 GCEDRO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001004720626 1199917426 /nfs/dbraw/zinc/91/74/26/1199917426.db2.gz AXVBOBOQOVHDEN-AHCXZYCDSA-N 1 0 382.464 0.907 20 30 GCEDRO C[C@@H]1C[N@H+](CC(=O)N2CCN(c3oc(-c4ccco4)nc3C#N)CC2)C[C@@H]1O ZINC000509141356 1199941886 /nfs/dbraw/zinc/94/18/86/1199941886.db2.gz UVGGSPWYALEGAX-HIFRSBDPSA-N 1 0 385.424 0.767 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@]3(CO)CCc4ccccc43)CC2)o1 ZINC000132286641 1199963219 /nfs/dbraw/zinc/96/32/19/1199963219.db2.gz NDGHZGGYTWBWEW-OAQYLSRUSA-N 1 0 395.463 0.927 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2OC[C@@H]3COCC[C@H]23)CC1 ZINC001691671108 1200057327 /nfs/dbraw/zinc/05/73/27/1200057327.db2.gz AAFIWDWPWKFMPW-QSOKESPWSA-N 1 0 377.485 0.004 20 30 GCEDRO C=CCOCCN1C[C@@H](NC(=O)[C@]23CCC[C@H]2OCC3)[C@@H](n2ccnn2)C1 ZINC001129099079 1200464880 /nfs/dbraw/zinc/46/48/80/1200464880.db2.gz ZZQPGLOGLVUSHB-NTDBWNAOSA-N 1 0 375.473 0.781 20 30 GCEDRO C=CCOCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC2)[C@@H](n2ccnn2)C1 ZINC001129113756 1200466368 /nfs/dbraw/zinc/46/63/68/1200466368.db2.gz RBSXQKDPYZZOAY-BDXSIMOUSA-N 1 0 375.473 0.637 20 30 GCEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cncn2C)[C@@H](n2ccnn2)C1 ZINC001129272125 1200598635 /nfs/dbraw/zinc/59/86/35/1200598635.db2.gz YHQMLRHXAIELQE-KONPQCLYSA-N 1 0 385.472 0.359 20 30 GCEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000553053887 1200628253 /nfs/dbraw/zinc/62/82/53/1200628253.db2.gz QRXFSOVERCVHGI-OAHLLOKOSA-N 1 0 390.488 1.017 20 30 GCEDRO CN(C)C(=O)Cn1cnc(NC(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)n1 ZINC000531109327 1200629897 /nfs/dbraw/zinc/62/98/97/1200629897.db2.gz RYKOCKIQAZPSPZ-UHFFFAOYSA-N 1 0 398.471 0.834 20 30 GCEDRO Cn1nc(NC(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1OC(F)F ZINC000330231197 1200631724 /nfs/dbraw/zinc/63/17/24/1200631724.db2.gz DXNZIKAVDAHIJT-HNNXBMFYSA-N 1 0 391.444 1.555 20 30 GCEDRO C[C@H](NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1)C1CC[NH+](C)CC1 ZINC000615189574 1200663680 /nfs/dbraw/zinc/66/36/80/1200663680.db2.gz GIBULFMQEQGYCO-AWEZNQCLSA-N 1 0 395.467 0.983 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)nn1CCC#N ZINC000504467264 1200772441 /nfs/dbraw/zinc/77/24/41/1200772441.db2.gz KAYCVUOGBQJHNK-HNNXBMFYSA-N 1 0 376.461 0.613 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)n1 ZINC000540280098 1200778134 /nfs/dbraw/zinc/77/81/34/1200778134.db2.gz PPBGKWWTWRUOJK-OAHLLOKOSA-N 1 0 376.461 0.627 20 30 GCEDRO CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000491295628 1200833472 /nfs/dbraw/zinc/83/34/72/1200833472.db2.gz KTKPASGTZCWRIQ-UHFFFAOYSA-N 1 0 383.456 0.985 20 30 GCEDRO CCCN(C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[C@H]1CC[NH2+]C1 ZINC000415414087 1200844210 /nfs/dbraw/zinc/84/42/10/1200844210.db2.gz ZFMJUCGDARQFLW-AWEZNQCLSA-N 1 0 384.415 1.422 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593766125 1200967652 /nfs/dbraw/zinc/96/76/52/1200967652.db2.gz DSJASNONYFMWQH-YWZLYKJASA-N 1 0 393.451 0.973 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000460586269 1200968644 /nfs/dbraw/zinc/96/86/44/1200968644.db2.gz NBXPBOBPJRGDDX-CQSZACIVSA-N 1 0 395.467 1.234 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000593182143 1200970478 /nfs/dbraw/zinc/97/04/78/1200970478.db2.gz XXRXYFDHEAEWRK-UHFFFAOYSA-N 1 0 396.455 0.685 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)N[C@@H]1CCC[C@@H]1[N@@H+]1CC[C@@H](O)C1 ZINC000591710356 1200971615 /nfs/dbraw/zinc/97/16/15/1200971615.db2.gz JYTMFTUYMLIZEE-ZACQAIPSSA-N 1 0 395.467 1.557 20 30 GCEDRO COc1ccc([C@@H](C[NH+](C)C)NC(=O)C(=O)Nc2cc(C)n(CCC#N)n2)cc1 ZINC000560229480 1200993511 /nfs/dbraw/zinc/99/35/11/1200993511.db2.gz ASJKLJCIIIGADS-QGZVFWFLSA-N 1 0 398.467 1.471 20 30 GCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460612325 1201007666 /nfs/dbraw/zinc/00/76/66/1201007666.db2.gz HPRNMNWCGRPBTG-AWEZNQCLSA-N 1 0 383.456 1.232 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@H](OC)C2)CC1 ZINC000946905788 1201033280 /nfs/dbraw/zinc/03/32/80/1201033280.db2.gz ZLDUATPQYTUXTL-IEWDOMPSSA-N 1 0 389.496 0.241 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)[C@H](C)C[NH2+]1 ZINC000415577718 1201076626 /nfs/dbraw/zinc/07/66/26/1201076626.db2.gz ZCIBSPTXSHSPCS-VXGBXAGGSA-N 1 0 386.843 1.545 20 30 GCEDRO CN(C)c1nc(N)nc(C(=O)NC2CC[NH+](Cc3cccc(C#N)c3)CC2)n1 ZINC000593900274 1201084035 /nfs/dbraw/zinc/08/40/35/1201084035.db2.gz MSVSLYPTBHXZGT-UHFFFAOYSA-N 1 0 380.456 0.786 20 30 GCEDRO CCOC(=O)C1CCN(C(=O)[C@@H](C)[N@H+](C)CCCc2[nH]nc(N)c2C#N)CC1 ZINC000534834394 1201090757 /nfs/dbraw/zinc/09/07/57/1201090757.db2.gz SYRWSLQRSAVBPA-CYBMUJFWSA-N 1 0 390.488 0.918 20 30 GCEDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000565793131 1201113556 /nfs/dbraw/zinc/11/35/56/1201113556.db2.gz KESHCVROWKACBM-CQSZACIVSA-N 1 0 389.504 0.635 20 30 GCEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N ZINC000560323673 1201114297 /nfs/dbraw/zinc/11/42/97/1201114297.db2.gz WLHATPMHTFMVDH-KGLIPLIRSA-N 1 0 389.504 0.491 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000549934597 1201130789 /nfs/dbraw/zinc/13/07/89/1201130789.db2.gz VWSFOXZOPMGOAG-UHFFFAOYSA-N 1 0 389.504 0.635 20 30 GCEDRO C#CCN1CCC[C@H](NC(=O)c2c(C)cc(=O)n(CC(=O)NC(C)C)c2C)C1 ZINC000923575323 1201147933 /nfs/dbraw/zinc/14/79/33/1201147933.db2.gz XWMFYNXELHHRGM-KRWDZBQOSA-N 1 0 386.496 0.817 20 30 GCEDRO C#CCN1CCC[C@H](NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1 ZINC000923593246 1201181070 /nfs/dbraw/zinc/18/10/70/1201181070.db2.gz LZLJLOZUVUOEJU-KRWDZBQOSA-N 1 0 391.493 0.771 20 30 GCEDRO C[C@H]([NH2+]CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)c1cccc(C#N)c1 ZINC000611386538 1201235916 /nfs/dbraw/zinc/23/59/16/1201235916.db2.gz MVUGNEGBPNADKU-MAUKXSAKSA-N 1 0 390.509 0.540 20 30 GCEDRO C=C(C)[C@@H]1OCCC[C@@H]1C(=O)N[C@@H]1C[N@@H+](CCN2C(=O)CCC2=O)C[C@H]1C ZINC001080590024 1201277486 /nfs/dbraw/zinc/27/74/86/1201277486.db2.gz ZKBNVUCTFGTDOT-OLMMMNRUSA-N 1 0 377.485 0.943 20 30 GCEDRO C#CC[NH2+]CC(=O)N1CCN(S(=O)(=O)c2c(C)c(C)cc(C)c2C)CC1 ZINC000727238752 1201353057 /nfs/dbraw/zinc/35/30/57/1201353057.db2.gz VAJYDSKLHBEIBT-UHFFFAOYSA-N 1 0 377.510 0.976 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1 ZINC000728153440 1201403635 /nfs/dbraw/zinc/40/36/35/1201403635.db2.gz WXPMFDFIUJROIF-UHFFFAOYSA-N 1 0 393.495 0.652 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000171741494 1201406752 /nfs/dbraw/zinc/40/67/52/1201406752.db2.gz FCDUJDKTPPSJPX-UHFFFAOYSA-N 1 0 377.533 0.977 20 30 GCEDRO C[N@@H+]1CCCN(c2ccc(NC(=O)C(=O)NC3CCN(CC#N)CC3)cc2)CC1 ZINC000730683088 1201461413 /nfs/dbraw/zinc/46/14/13/1201461413.db2.gz CBCHGJRXBOLMPG-UHFFFAOYSA-N 1 0 398.511 0.871 20 30 GCEDRO C[NH+]1CCN(c2ccccc2NC(=O)C(=O)NC2CCN(CC#N)CC2)CC1 ZINC000730683914 1201462081 /nfs/dbraw/zinc/46/20/81/1201462081.db2.gz NRBDFGBAYAYLKE-UHFFFAOYSA-N 1 0 384.484 0.481 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C(=O)NCCN2CCOCC2)[C@@H](C)CC)CC1 ZINC000732157296 1201523190 /nfs/dbraw/zinc/52/31/90/1201523190.db2.gz USZNRXFEBWJNRZ-PKOBYXMFSA-N 1 0 392.544 0.311 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCNC(=O)C2N=CC=CC2=O)C1 ZINC000732443998 1201543282 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/nfs/dbraw/zinc/96/07/38/720960738.db2.gz MBJDWAVBIGBRMB-UHFFFAOYSA-N 1 0 380.412 0.672 20 30 GCEDRO C=CCNC(=O)c1cccnc1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798377 721518652 /nfs/dbraw/zinc/51/86/52/721518652.db2.gz STRFWNVAZQQTBW-UHFFFAOYSA-N 1 0 395.511 0.962 20 30 GCEDRO N#Cc1ccccc1C[NH2+]C[C@H]1CN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CCO1 ZINC001571309652 946450315 /nfs/dbraw/zinc/45/03/15/946450315.db2.gz GWMHIIXARDDAMP-HNNXBMFYSA-N 1 0 392.423 0.697 20 30 GCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000823931812 946520543 /nfs/dbraw/zinc/52/05/43/946520543.db2.gz FXBXZEHYVYXPTG-UHFFFAOYSA-N 1 0 387.469 0.958 20 30 GCEDRO C#CCN(C(=O)c1cc(-c2nn[nH]n2)c[nH]1)C1CC[NH+](CC#CCOC)CC1 ZINC001573281808 946678778 /nfs/dbraw/zinc/67/87/78/946678778.db2.gz BWUKXOZBEZPLEZ-UHFFFAOYSA-N 1 0 381.440 0.384 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CNc2nc(C)ccc2-c2nn[nH]n2)CC1 ZINC001573282019 946683955 /nfs/dbraw/zinc/68/39/55/946683955.db2.gz DUWOISNYDHMXNB-CQSZACIVSA-N 1 0 382.472 0.832 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3ccc(-c4nn[nH]n4)nc3)CC2)CC1 ZINC001573282447 946690496 /nfs/dbraw/zinc/69/04/96/946690496.db2.gz JDTXIAJIQVPSKL-UHFFFAOYSA-N 1 0 380.456 0.256 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CNc2ccc(-c3nn[nH]n3)c(C)n2)CC1 ZINC001573283464 946715556 /nfs/dbraw/zinc/71/55/56/946715556.db2.gz SEYVLHYLONEYGP-CYBMUJFWSA-N 1 0 382.472 0.832 20 30 GCEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(-c2nn[nH]n2)c1 ZINC001573285809 946790090 /nfs/dbraw/zinc/79/00/90/946790090.db2.gz OAPBEJPEBZRRBW-UONOGXRCSA-N 1 0 386.456 0.850 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21 ZINC001573286111 946795200 /nfs/dbraw/zinc/79/52/00/946795200.db2.gz UHWBNVBKQZLVJU-BMGDILEWSA-N 1 0 380.452 0.938 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001573286230 946798949 /nfs/dbraw/zinc/79/89/49/946798949.db2.gz WSFCPJDGTBOKJR-QAPCUYQASA-N 1 0 381.484 0.949 20 30 GCEDRO C#Cc1ccc(C(=O)N(C)C[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001573287336 946834337 /nfs/dbraw/zinc/83/43/37/946834337.db2.gz BAEBPCGZIZGYPI-CYBMUJFWSA-N 1 0 376.424 0.941 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@@H](C)[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573287536 946841500 /nfs/dbraw/zinc/84/15/00/946841500.db2.gz JJUUICGDPSFEDX-STQMWFEESA-N 1 0 376.424 0.987 20 30 GCEDRO C#CCOCCC(=O)N(C)[C@@H](CNc1cc(C)[nH+]cc1-c1nn[nH]n1)C1CC1 ZINC001573288328 946864747 /nfs/dbraw/zinc/86/47/47/946864747.db2.gz UMGUJBPFKJHAMS-KRWDZBQOSA-N 1 0 383.456 0.681 20 30 GCEDRO C#CCOCCC(=O)N1C[C@H]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)C[C@H]2C1 ZINC001573289009 946881360 /nfs/dbraw/zinc/88/13/60/946881360.db2.gz ZTALMBYFIARAJH-CABCVRRESA-N 1 0 381.440 0.586 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@@H](CO)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cc1 ZINC001573289306 946885874 /nfs/dbraw/zinc/88/58/74/946885874.db2.gz YFGILHUFALUGIR-HNNXBMFYSA-N 1 0 377.408 0.176 20 30 GCEDRO C#Cc1cncc(C(=O)N2C[C@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573290141 946897979 /nfs/dbraw/zinc/89/79/79/946897979.db2.gz FUFRXQQCTAZURL-BBRMVZONSA-N 1 0 388.435 0.880 20 30 GCEDRO C#Cc1cncc(C(=O)N(CCO)CC[NH2+]Cc2cccc(-c3nn[nH]n3)c2)c1 ZINC001573291179 946915852 /nfs/dbraw/zinc/91/58/52/946915852.db2.gz YCNRUYHLQLZINX-UHFFFAOYSA-N 1 0 391.435 0.467 20 30 GCEDRO C#Cc1cncc(C(=O)N2CC[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573291377 946917487 /nfs/dbraw/zinc/91/74/87/946917487.db2.gz BJZHPEFQFCTLFO-OAHLLOKOSA-N 1 0 388.435 0.943 20 30 GCEDRO C=C(C)CN(CC)C(=O)C[NH2+]C1(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573293687 946965654 /nfs/dbraw/zinc/96/56/54/946965654.db2.gz GIIPJZSMMAQDES-UHFFFAOYSA-N 1 0 386.460 0.471 20 30 GCEDRO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc(-c4nn[nH]n4)c[nH]3)C2)CC1 ZINC001573293949 946971802 /nfs/dbraw/zinc/97/18/02/946971802.db2.gz PFWFTOTYSKSYER-INIZCTEOSA-N 1 0 384.488 0.993 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573564879 946999059 /nfs/dbraw/zinc/99/90/59/946999059.db2.gz MMYBZKKNJROBSD-CQSZACIVSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001573564911 946999755 /nfs/dbraw/zinc/99/97/55/946999755.db2.gz MVHYVNDRVUXJRQ-GFCCVEGCSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573565504 947008395 /nfs/dbraw/zinc/00/83/95/947008395.db2.gz RKAPBLSCSOODEQ-LBPRGKRZSA-N 1 0 389.485 0.873 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573566299 947024012 /nfs/dbraw/zinc/02/40/12/947024012.db2.gz AUTVJHFPYCJUOJ-OLZOCXBDSA-N 1 0 389.485 0.873 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567733 947054331 /nfs/dbraw/zinc/05/43/31/947054331.db2.gz RNOFOOSIEWZKJP-TZMCWYRMSA-N 1 0 387.419 0.873 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573567949 947059716 /nfs/dbraw/zinc/05/97/16/947059716.db2.gz VFQPFYHXHNCNDV-KZULUSFZSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573567951 947060771 /nfs/dbraw/zinc/06/07/71/947060771.db2.gz VFQPFYHXHNCNDV-XIKOKIGWSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568165 947068025 /nfs/dbraw/zinc/06/80/25/947068025.db2.gz YVUVLRJTLNPKRN-KZULUSFZSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568167 947068064 /nfs/dbraw/zinc/06/80/64/947068064.db2.gz YVUVLRJTLNPKRN-XIKOKIGWSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573300356 947109532 /nfs/dbraw/zinc/10/95/32/947109532.db2.gz OVIIDFALGUKWMY-DYVFJYSZSA-N 1 0 385.472 0.932 20 30 GCEDRO C=C(C)C[C@H](NC(C)=O)C(=O)N[C@@H](C)CNc1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573300944 947126531 /nfs/dbraw/zinc/12/65/31/947126531.db2.gz WTAPQTUBIHWNPP-LRDDRELGSA-N 1 0 386.460 0.380 20 30 GCEDRO C[C@@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001573577097 947162316 /nfs/dbraw/zinc/16/23/16/947162316.db2.gz MBAGTZRKZAETPY-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C=CCC[NH2+]CCNC(=O)[C@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573334760 947464564 /nfs/dbraw/zinc/46/45/64/947464564.db2.gz HYGWNAMTGDEOME-ZDUSSCGKSA-N 1 0 386.460 0.329 20 30 GCEDRO C=CCCC[NH+]1CC(N2C[C@@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001573334900 947466422 /nfs/dbraw/zinc/46/64/22/947466422.db2.gz JFTFZYNALBJWHU-ZDUSSCGKSA-N 1 0 384.444 0.176 20 30 GCEDRO C=CCCOCC(=O)N1CCCO[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573336770 947511592 /nfs/dbraw/zinc/51/15/92/947511592.db2.gz QYZDLUMMYHEDED-AWEZNQCLSA-N 1 0 387.444 0.306 20 30 GCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1C[C@@H](NC(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573340869 947521768 /nfs/dbraw/zinc/52/17/68/947521768.db2.gz BXTUWRGDCCCCMC-OKILXGFUSA-N 1 0 384.444 0.246 20 30 GCEDRO C=CCOCC(=O)NCC[NH+]1CCC(Nc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573343958 947564361 /nfs/dbraw/zinc/56/43/61/947564361.db2.gz VDMMYSZAXDRNIC-UHFFFAOYSA-N 1 0 386.460 0.457 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](CO)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573351945 947623761 /nfs/dbraw/zinc/62/37/61/947623761.db2.gz XYYOGAZBKPTQDW-ZENOOKHLSA-N 1 0 390.419 0.164 20 30 GCEDRO CC#CC[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573359000 947677057 /nfs/dbraw/zinc/67/70/57/947677057.db2.gz TZBDHYPGITWJFO-PBHICJAKSA-N 1 0 383.456 0.817 20 30 GCEDRO N#Cc1ccc(C(=O)N2CCCC[C@@H]2CNc2cc[nH+]cc2-c2nn[nH]n2)[nH]1 ZINC001571128803 952570861 /nfs/dbraw/zinc/57/08/61/952570861.db2.gz WUSPEMYUBJAGQU-CYBMUJFWSA-N 1 0 377.412 0.990 20 30 GCEDRO 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C[NH+]=C(NCCOc1ncccc1F)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261820054 1185488095 /nfs/dbraw/zinc/48/80/95/1185488095.db2.gz UKJXAYZPBZPPJV-GOSISDBHSA-N 1 0 392.435 0.485 20 30 GCEDRO CC[N@@H+]1CC[C@H](NC(=O)N2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000334137009 1185516260 /nfs/dbraw/zinc/51/62/60/1185516260.db2.gz ZDLUECBCDLVGMP-INIZCTEOSA-N 1 0 391.497 0.668 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CCO[C@H]4C=C)C[C@H]32)CC1 ZINC001021886659 1185661038 /nfs/dbraw/zinc/66/10/38/1185661038.db2.gz LBACFTGOGMOROI-NMLBUPMWSA-N 1 0 385.508 0.982 20 30 GCEDRO C[NH+]=C(NC[C@@H](c1ccco1)N(C)C)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000073777704 1185754706 /nfs/dbraw/zinc/75/47/06/1185754706.db2.gz IXSYYCWHMCPFMZ-RDJZCZTQSA-N 1 0 377.489 0.781 20 30 GCEDRO C=CCC[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000276511548 1185853875 /nfs/dbraw/zinc/85/38/75/1185853875.db2.gz XPYOXOZXVWSUEB-UHFFFAOYSA-N 1 0 376.482 0.899 20 30 GCEDRO 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/nfs/dbraw/zinc/92/30/22/1193923022.db2.gz QQWNKCNGRHOVTJ-INIZCTEOSA-N 1 0 387.484 0.302 20 30 GCEDRO C[NH+]=C(NCc1ncccc1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261748773 1193924716 /nfs/dbraw/zinc/92/47/16/1193924716.db2.gz LOTGWEDSOCDWSP-UHFFFAOYSA-N 1 0 392.485 0.601 20 30 GCEDRO C[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CCN(c2cccs2)CC1 ZINC000261780433 1193926155 /nfs/dbraw/zinc/92/61/55/1193926155.db2.gz PHLYNTMJYXNECX-UHFFFAOYSA-N 1 0 378.546 0.610 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)n1 ZINC000433651667 1193927889 /nfs/dbraw/zinc/92/78/89/1193927889.db2.gz VUURXZOOHZBZFQ-CQSZACIVSA-N 1 0 376.461 0.891 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261842419 1193928432 /nfs/dbraw/zinc/92/84/32/1193928432.db2.gz WJZBRQKZCPXJQC-OAHLLOKOSA-N 1 0 399.503 0.197 20 30 GCEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1 ZINC000261995241 1193934943 /nfs/dbraw/zinc/93/49/43/1193934943.db2.gz SFGCNRVFZPRNQM-AWEZNQCLSA-N 1 0 397.474 0.982 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@@H]2CCCO2)N2CCN(c3ncccn3)CC2)n1C ZINC000261990117 1193934969 /nfs/dbraw/zinc/93/49/69/1193934969.db2.gz RDEMJATWNAZWII-INIZCTEOSA-N 1 0 399.503 0.360 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C1CCOCC1)N1CC[C@H](Oc2ccccn2)C1 ZINC000262272462 1193943531 /nfs/dbraw/zinc/94/35/31/1193943531.db2.gz HDBFJYHJNJBZGB-INIZCTEOSA-N 1 0 375.473 0.748 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ccccc2C1)N[C@H]1CCC(=O)N(C)C1 ZINC000262328680 1193945278 /nfs/dbraw/zinc/94/52/78/1193945278.db2.gz UNDNJBVTHACOKW-MSOLQXFVSA-N 1 0 385.512 0.788 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ncnn2C1)N[C@H]1CCc2ccccc2C1 ZINC000262347613 1193945733 /nfs/dbraw/zinc/94/57/33/1193945733.db2.gz YIDRXGCHOYEOSZ-ZWKOTPCHSA-N 1 0 395.511 0.774 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000262356858 1193946080 /nfs/dbraw/zinc/94/60/80/1193946080.db2.gz ZXAPQOQQVJUAHY-UHFFFAOYSA-N 1 0 375.477 0.045 20 30 GCEDRO O=S1(=O)CC[C@H](CNC(N[C@H]2CCCN(c3ncccn3)C2)=[NH+]C2CC2)C1 ZINC000262378238 1193946506 /nfs/dbraw/zinc/94/65/06/1193946506.db2.gz JXZUMYTYYIZWSJ-ZBFHGGJFSA-N 1 0 392.529 0.578 20 30 GCEDRO O=S1(=O)CC[C@H](CNC(N[C@@H]2CCCN(c3ncccn3)C2)=[NH+]C2CC2)C1 ZINC000262378225 1193946670 /nfs/dbraw/zinc/94/66/70/1193946670.db2.gz JXZUMYTYYIZWSJ-GDBMZVCRSA-N 1 0 392.529 0.578 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCN(c3ncccn3)CC2)c1 ZINC000262509931 1193949655 /nfs/dbraw/zinc/94/96/55/1193949655.db2.gz BDHDBLLXUXTTBV-UHFFFAOYSA-N 1 0 377.452 0.794 20 30 GCEDRO C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CCN(c2ccccn2)CC1 ZINC000262506627 1193949785 /nfs/dbraw/zinc/94/97/85/1193949785.db2.gz AEZPGUTZORGQCQ-UHFFFAOYSA-N 1 0 388.497 0.627 20 30 GCEDRO [NH2+]=C(NCc1cccc(N2CCOCC2)n1)N1CCN(c2ncccn2)CC1 ZINC000262530542 1193950433 /nfs/dbraw/zinc/95/04/33/1193950433.db2.gz PMSHOQCMTQZLOZ-UHFFFAOYSA-N 1 0 382.472 0.345 20 30 GCEDRO C[NH+]=C(NCc1nncn1-c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000262567930 1193951451 /nfs/dbraw/zinc/95/14/51/1193951451.db2.gz MHEJLRPQJVEBCQ-UHFFFAOYSA-N 1 0 377.456 0.955 20 30 GCEDRO C[NH+]=C(NCCN1CCCS1(=O)=O)N1CCN(c2ccccc2OC)CC1 ZINC000262583387 1193951741 /nfs/dbraw/zinc/95/17/41/1193951741.db2.gz RJJWDHPWVXQLJI-UHFFFAOYSA-N 1 0 395.529 0.428 20 30 GCEDRO Cc1cc(S(N)(=O)=O)ccc1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262770661 1193955281 /nfs/dbraw/zinc/95/52/81/1193955281.db2.gz IOQFCWDZKVLJOJ-UHFFFAOYSA-N 1 0 389.485 0.069 20 30 GCEDRO C[C@@H]1CN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000263075761 1193961711 /nfs/dbraw/zinc/96/17/11/1193961711.db2.gz CKEXFKUOKSJNCC-IYBDPMFKSA-N 1 0 375.521 0.801 20 30 GCEDRO [NH2+]=C(NC[C@H]1CN(Cc2ccccc2)CCO1)N1CCN(c2ncccn2)CC1 ZINC000263074384 1193961784 /nfs/dbraw/zinc/96/17/84/1193961784.db2.gz CFSLSGJKEDHWDJ-IBGZPJMESA-N 1 0 395.511 0.814 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000280438620 1193994515 /nfs/dbraw/zinc/99/45/15/1193994515.db2.gz FFBAQDAAAAYMHL-IBGZPJMESA-N 1 0 392.500 0.759 20 30 GCEDRO CC[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261808421 1194013765 /nfs/dbraw/zinc/01/37/65/1194013765.db2.gz SKLYCQRCMQOGEN-SFHVURJKSA-N 1 0 393.561 0.472 20 30 GCEDRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708859 1194015655 /nfs/dbraw/zinc/01/56/55/1194015655.db2.gz JBFJKOGCWJVTRP-PXNSSMCTSA-N 1 0 387.459 0.732 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)NC2CCC(Oc3ccc(C#N)cn3)CC2)C[C@H](C)[NH2+]1 ZINC000419614294 1194073731 /nfs/dbraw/zinc/07/37/31/1194073731.db2.gz MQMRBRVGEUJYDO-CBHXASLJSA-N 1 0 385.468 0.968 20 30 GCEDRO CC[NH+]=C(NCc1cccnc1OC)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261811533 1194102685 /nfs/dbraw/zinc/10/26/85/1194102685.db2.gz SPAQFZHEMCIHSQ-IBGZPJMESA-N 1 0 388.472 0.866 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419826313 1194110826 /nfs/dbraw/zinc/11/08/26/1194110826.db2.gz CLPQPPOLNWDFPA-UHFFFAOYSA-N 1 0 380.452 0.610 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)NCCC[NH2+]Cc3cccnc3)C2)cc1 ZINC000419850795 1194114830 /nfs/dbraw/zinc/11/48/30/1194114830.db2.gz MRIKIIISLWKAOH-UHFFFAOYSA-N 1 0 393.447 0.839 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419829105 1194115484 /nfs/dbraw/zinc/11/54/84/1194115484.db2.gz ZGTBMHHIFQXIOV-AWEZNQCLSA-N 1 0 385.472 0.163 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419829106 1194115598 /nfs/dbraw/zinc/11/55/98/1194115598.db2.gz ZGTBMHHIFQXIOV-CQSZACIVSA-N 1 0 385.472 0.163 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000419843603 1194119903 /nfs/dbraw/zinc/11/99/03/1194119903.db2.gz NALUSUZFXKOKSW-INIZCTEOSA-N 1 0 392.463 0.623 20 30 GCEDRO N#Cc1ccc(C2=CCN(C(=O)C(=O)NCCCN3CC[NH2+]CC3)CC2)cc1 ZINC000419876548 1194130176 /nfs/dbraw/zinc/13/01/76/1194130176.db2.gz WDOBWZJMQDOTTM-UHFFFAOYSA-N 1 0 381.480 0.585 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000419897352 1194135617 /nfs/dbraw/zinc/13/56/17/1194135617.db2.gz VSZVIADTZZSTQM-ZDUSSCGKSA-N 1 0 398.423 0.323 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419896748 1194135765 /nfs/dbraw/zinc/13/57/65/1194135765.db2.gz NPCMMHDWEHHXTN-RTBURBONSA-N 1 0 383.496 0.979 20 30 GCEDRO C[C@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419911560 1194142729 /nfs/dbraw/zinc/14/27/29/1194142729.db2.gz JTIDQCGFKNGVDY-GOEBONIOSA-N 1 0 393.451 0.202 20 30 GCEDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419941500 1194146413 /nfs/dbraw/zinc/14/64/13/1194146413.db2.gz MOBYYIPXWLKWMR-CQSZACIVSA-N 1 0 380.452 0.466 20 30 GCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000501420276 1194148033 /nfs/dbraw/zinc/14/80/33/1194148033.db2.gz IEEGXKYUANEVDS-OAHLLOKOSA-N 1 0 398.492 0.982 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419975800 1194150837 /nfs/dbraw/zinc/15/08/37/1194150837.db2.gz LAKQEXSWUMZNOC-GOSISDBHSA-N 1 0 383.496 0.708 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000420042196 1194166839 /nfs/dbraw/zinc/16/68/39/1194166839.db2.gz NGOJWMZWZJTKGA-AEFFLSMTSA-N 1 0 397.479 0.979 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420043092 1194167645 /nfs/dbraw/zinc/16/76/45/1194167645.db2.gz RHXGVPCLXQKBPQ-PBHICJAKSA-N 1 0 388.468 0.762 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000420048358 1194169075 /nfs/dbraw/zinc/16/90/75/1194169075.db2.gz XDUISSSZGJWWJO-MAUKXSAKSA-N 1 0 399.495 0.432 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)CC2)cc1 ZINC000420070096 1194171862 /nfs/dbraw/zinc/17/18/62/1194171862.db2.gz JEZDAPFAGPHKIO-IBGZPJMESA-N 1 0 383.496 0.836 20 30 GCEDRO C[C@@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC[NH2+]C1 ZINC000420107718 1194180493 /nfs/dbraw/zinc/18/04/93/1194180493.db2.gz TVBUZPWLSGQGFO-HXUWFJFHSA-N 1 0 387.459 0.852 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)CCC[NH2+]C1 ZINC000420110198 1194180884 /nfs/dbraw/zinc/18/08/84/1194180884.db2.gz WAWCPRMFLRRPPY-NRFANRHFSA-N 1 0 383.496 0.708 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420110760 1194181376 /nfs/dbraw/zinc/18/13/76/1194181376.db2.gz FRGGSEHJVQOKOW-KSSFIOAISA-N 1 0 397.479 0.850 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000420096354 1194183639 /nfs/dbraw/zinc/18/36/39/1194183639.db2.gz ZPKJGFQWDWCGLO-RBUKOAKNSA-N 1 0 383.496 0.857 20 30 GCEDRO C[C@@H]1C[C@H](NC(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[NH2+]1 ZINC000420120004 1194187775 /nfs/dbraw/zinc/18/77/75/1194187775.db2.gz JRNWCDVWEPRKOC-VQIMIIECSA-N 1 0 383.496 0.849 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000420155868 1194190834 /nfs/dbraw/zinc/19/08/34/1194190834.db2.gz FAFFFCRQPXUHSW-MRXNPFEDSA-N 1 0 384.484 0.496 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261815480 1194199630 /nfs/dbraw/zinc/19/96/30/1194199630.db2.gz TXEVZDGPDIMIEL-INIZCTEOSA-N 1 0 399.517 0.657 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000420205626 1194204926 /nfs/dbraw/zinc/20/49/26/1194204926.db2.gz NSEXHDYCWKCSIG-GVDBMIGSSA-N 1 0 399.470 0.850 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCCC3=CC[NH2+]CC3)CC2)c(F)c1 ZINC000420226285 1194211007 /nfs/dbraw/zinc/21/10/07/1194211007.db2.gz ZPKSKCYMRGFUSQ-UHFFFAOYSA-N 1 0 385.443 0.772 20 30 GCEDRO COCC[NH+]1CCC(NC(=O)CN(C)S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000502057784 1194261897 /nfs/dbraw/zinc/26/18/97/1194261897.db2.gz SVCFDNDFPNUUJI-UHFFFAOYSA-N 1 0 394.497 0.406 20 30 GCEDRO CC[NH+]=C(NC[C@]1(C)CCCC[C@H]1O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261830114 1194268977 /nfs/dbraw/zinc/26/89/77/1194268977.db2.gz VHGVDPKTSLPIKG-APWZRJJASA-N 1 0 376.505 0.975 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c(C#N)cn1CC ZINC000421200897 1194308076 /nfs/dbraw/zinc/30/80/76/1194308076.db2.gz OFUZIUMUXASUNS-HNNXBMFYSA-N 1 0 399.451 0.968 20 30 GCEDRO C[NH+]=C(NCCc1cn2ccccc2n1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261838532 1194327640 /nfs/dbraw/zinc/32/76/40/1194327640.db2.gz WHXVWVGLCQNSDH-FQEVSTJZSA-N 1 0 397.483 0.762 20 30 GCEDRO C[NH+]=C(NCC1(C2CC2)CC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261846560 1194350615 /nfs/dbraw/zinc/35/06/15/1194350615.db2.gz XLIBTHVJQMRHRF-UHFFFAOYSA-N 1 0 381.502 0.888 20 30 GCEDRO C[C@H]1C[C@@H](CO)CN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103891 1194386245 /nfs/dbraw/zinc/38/62/45/1194386245.db2.gz OIBFUQZNEQCZGX-QFBILLFUSA-N 1 0 386.496 0.925 20 30 GCEDRO CC(=O)N[C@H]1CCN(C(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)C1 ZINC000422103873 1194386482 /nfs/dbraw/zinc/38/64/82/1194386482.db2.gz OHIXSJDUIYNQOC-SFHVURJKSA-N 1 0 385.468 0.185 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)CC2)c1C#N ZINC000422115935 1194393867 /nfs/dbraw/zinc/39/38/67/1194393867.db2.gz NKHWSROKKBUGAP-AWEZNQCLSA-N 1 0 390.513 0.524 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000261860507 1194548741 /nfs/dbraw/zinc/54/87/41/1194548741.db2.gz YICIZGKJJAOYNJ-MRXNPFEDSA-N 1 0 399.495 0.512 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000422388137 1194632289 /nfs/dbraw/zinc/63/22/89/1194632289.db2.gz LGRLCYUQGHVKRB-ROUUACIJSA-N 1 0 397.479 0.328 20 30 GCEDRO COc1ccc(C#N)cc1NC(=O)C(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000503625675 1194701625 /nfs/dbraw/zinc/70/16/25/1194701625.db2.gz NUQWELBCMVUBBR-UHFFFAOYSA-N 1 0 399.451 0.272 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423008440 1194716865 /nfs/dbraw/zinc/71/68/65/1194716865.db2.gz AGHSUSUJGJWNSD-RBUKOAKNSA-N 1 0 381.480 0.270 20 30 GCEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033418 1194720371 /nfs/dbraw/zinc/72/03/71/1194720371.db2.gz GPZAYGHHZQZLOR-APWZRJJASA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000423040209 1194721198 /nfs/dbraw/zinc/72/11/98/1194721198.db2.gz SNRSIUBLIZUMRF-QFIPXVFZSA-N 1 0 395.507 0.805 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423042651 1194721663 /nfs/dbraw/zinc/72/16/63/1194721663.db2.gz ZVSMHAOINLPWMC-PMACEKPBSA-N 1 0 395.507 0.660 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CC1 ZINC000423146289 1194730552 /nfs/dbraw/zinc/73/05/52/1194730552.db2.gz PBBCUQMTCVCMOH-AWEZNQCLSA-N 1 0 387.459 0.932 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423155487 1194731941 /nfs/dbraw/zinc/73/19/41/1194731941.db2.gz QLDAWYVLJMCHFA-IRXDYDNUSA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000423153620 1194732125 /nfs/dbraw/zinc/73/21/25/1194732125.db2.gz NLWBIFOUILLSIL-IRXDYDNUSA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423158078 1194732558 /nfs/dbraw/zinc/73/25/58/1194732558.db2.gz WEOQSYHPURKVRW-DLBZAZTESA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000423207205 1194736603 /nfs/dbraw/zinc/73/66/03/1194736603.db2.gz DBEXKQVBMNXFAH-HOTGVXAUSA-N 1 0 385.443 0.414 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)c(F)c1 ZINC000423207206 1194736681 /nfs/dbraw/zinc/73/66/81/1194736681.db2.gz DBEXKQVBMNXFAH-HZPDHXFCSA-N 1 0 385.443 0.414 20 30 GCEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3c(C#N)cnc4ccccc43)CC2)C1 ZINC000423214654 1194740293 /nfs/dbraw/zinc/74/02/93/1194740293.db2.gz LPSBDNCKFZMFEK-MRXNPFEDSA-N 1 0 392.463 0.575 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)CC2)c(F)c1 ZINC000423215755 1194740627 /nfs/dbraw/zinc/74/06/27/1194740627.db2.gz OQLIHZQCKHYXNB-XYJFISCASA-N 1 0 399.470 0.932 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1 ZINC000423217894 1194741139 /nfs/dbraw/zinc/74/11/39/1194741139.db2.gz SQDZVHQZEUTBJF-AWEZNQCLSA-N 1 0 387.459 0.932 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H]1[NH3+] ZINC000423229660 1194742024 /nfs/dbraw/zinc/74/20/24/1194742024.db2.gz HNQUSUNAEFPSLN-GUYCJALGSA-N 1 0 383.452 0.541 20 30 GCEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423310146 1194746907 /nfs/dbraw/zinc/74/69/07/1194746907.db2.gz MVZUJFWUHDXYMQ-KRWDZBQOSA-N 1 0 378.517 0.895 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@H](C)[NH2+]1 ZINC000423555723 1194766217 /nfs/dbraw/zinc/76/62/17/1194766217.db2.gz GGNWTQABLOVYOS-PSUSHLJKSA-N 1 0 381.436 0.067 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423554202 1194766408 /nfs/dbraw/zinc/76/64/08/1194766408.db2.gz DUJMFZGWWWNHKN-RNODOKPDSA-N 1 0 383.452 0.302 20 30 GCEDRO N#Cc1ccc(CN(C(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)C2CC2)cc1 ZINC000423566610 1194767702 /nfs/dbraw/zinc/76/77/02/1194767702.db2.gz JXMCFDXLJWUMNN-KRWDZBQOSA-N 1 0 397.479 0.363 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423573070 1194768855 /nfs/dbraw/zinc/76/88/55/1194768855.db2.gz YJPYCOSIPKOHCP-IUSZMWJPSA-N 1 0 397.479 0.690 20 30 GCEDRO C=CC[C@@H]1N(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)CCCC1(C)C ZINC000423578811 1194769781 /nfs/dbraw/zinc/76/97/81/1194769781.db2.gz MPKNGZSTLMQIJX-CVEARBPZSA-N 1 0 378.517 0.893 20 30 GCEDRO CO[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H](C[NH3+])C1 ZINC000423628618 1194775480 /nfs/dbraw/zinc/77/54/80/1194775480.db2.gz ANZHBNJJWBRVIQ-OALUTQOASA-N 1 0 399.495 0.167 20 30 GCEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)C2)nc1 ZINC000423643233 1194777325 /nfs/dbraw/zinc/77/73/25/1194777325.db2.gz YIACJPKJYRMOLD-INIZCTEOSA-N 1 0 383.452 0.535 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC2)c1C#N ZINC000423622800 1194778013 /nfs/dbraw/zinc/77/80/13/1194778013.db2.gz NEAWQOSOLSKPTQ-OAHLLOKOSA-N 1 0 392.529 0.804 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)C[C@H]1c1ccccc1 ZINC000423627479 1194778504 /nfs/dbraw/zinc/77/85/04/1194778504.db2.gz IHPJFNKRQCXABS-KURKYZTESA-N 1 0 397.479 0.066 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)c1C#N ZINC000423651373 1194779237 /nfs/dbraw/zinc/77/92/37/1194779237.db2.gz MAJKIRSCTJZBIL-VXGBXAGGSA-N 1 0 376.486 0.181 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000423662466 1194781323 /nfs/dbraw/zinc/78/13/23/1194781323.db2.gz BOTVWOJUGHAWRY-UHOSZYNNSA-N 1 0 383.496 0.951 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000423662465 1194781398 /nfs/dbraw/zinc/78/13/98/1194781398.db2.gz BOTVWOJUGHAWRY-QXAKKESOSA-N 1 0 383.496 0.951 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)CC2)nc1 ZINC000423696963 1194783431 /nfs/dbraw/zinc/78/34/31/1194783431.db2.gz YNGZNPYUFNASHU-UHFFFAOYSA-N 1 0 392.463 0.589 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC[NH2+]CC1 ZINC000423699874 1194783504 /nfs/dbraw/zinc/78/35/04/1194783504.db2.gz RFEIAMJTBQSARN-UHFFFAOYSA-N 1 0 384.484 0.592 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCCC[C@H]3[C@H](C)[NH3+])CC2)c1C#N ZINC000423699479 1194783876 /nfs/dbraw/zinc/78/38/76/1194783876.db2.gz RBJNPJNKOKHHBY-WFASDCNBSA-N 1 0 390.513 0.700 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)CC2)c1C#N ZINC000423677880 1194784779 /nfs/dbraw/zinc/78/47/79/1194784779.db2.gz KGLNRIODQOVASC-VXGBXAGGSA-N 1 0 376.486 0.181 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@]12C(=O)Nc1ccccc12 ZINC000423678666 1194784886 /nfs/dbraw/zinc/78/48/86/1194784886.db2.gz DFFNCGDQFYCWTG-FQEHYLHMSA-N 1 0 393.447 0.211 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1C[NH3+] ZINC000423721789 1194789053 /nfs/dbraw/zinc/78/90/53/1194789053.db2.gz FGCJTYUAZCQYGV-RDTXWAMCSA-N 1 0 387.459 0.932 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423722749 1194789109 /nfs/dbraw/zinc/78/91/09/1194789109.db2.gz PXPXGUZRPWFVAX-PZPWOCDFSA-N 1 0 395.463 0.459 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)[C@@H]1C[NH3+] ZINC000423727464 1194789986 /nfs/dbraw/zinc/78/99/86/1194789986.db2.gz JBPCCJRHTCRLMX-RDTXWAMCSA-N 1 0 387.459 0.932 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423744773 1194791117 /nfs/dbraw/zinc/79/11/17/1194791117.db2.gz NDTMHJJGRIMTKT-IBGZPJMESA-N 1 0 383.496 0.803 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000423734089 1194792287 /nfs/dbraw/zinc/79/22/87/1194792287.db2.gz CNPMXQDPEVXJCL-OAHLLOKOSA-N 1 0 387.459 0.946 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000424066092 1194800556 /nfs/dbraw/zinc/80/05/56/1194800556.db2.gz RPVOTJHSYMIOIR-KRWDZBQOSA-N 1 0 394.497 0.486 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000424081507 1194801065 /nfs/dbraw/zinc/80/10/65/1194801065.db2.gz VHUZFRKCNOKSJQ-AWEZNQCLSA-N 1 0 384.433 0.806 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000424060921 1194801623 /nfs/dbraw/zinc/80/16/23/1194801623.db2.gz DMLSAHINSPUCHZ-MRXNPFEDSA-N 1 0 380.470 0.345 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000424092443 1194802207 /nfs/dbraw/zinc/80/22/07/1194802207.db2.gz PCKHPNUKBVFDTC-DOTOQJQBSA-N 1 0 394.497 0.781 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424231724 1194806354 /nfs/dbraw/zinc/80/63/54/1194806354.db2.gz GIMBMWRJUHWQOF-DLBZAZTESA-N 1 0 389.481 0.451 20 30 GCEDRO 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COCC[N@H+](C)CCN1C[C@H](NC(=O)[C@@H](C#N)Cc2ccc(C#N)cc2)CC1=O ZINC000425319524 1194910891 /nfs/dbraw/zinc/91/08/91/1194910891.db2.gz QCHNVEKTWJMEMQ-RTBURBONSA-N 1 0 397.479 0.536 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(Cc4ccccc4)[C@@H](C#N)C3)[C@@H]2C1 ZINC000425379923 1194932370 /nfs/dbraw/zinc/93/23/70/1194932370.db2.gz DNMKFWCNZSTLBA-SLFFLAALSA-N 1 0 395.507 0.776 20 30 GCEDRO C#CCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CC[C@@H](C(N)=O)O2)C[C@H]1C(F)(F)F ZINC001112135594 1194947920 /nfs/dbraw/zinc/94/79/20/1194947920.db2.gz FEIVVLNIBXKVSF-SYQHCUMBSA-N 1 0 375.391 0.802 20 30 GCEDRO COC(=O)[C@@H](C)C[N@H+](CC(=O)N1CCN(c2oc(C)nc2C#N)CC1)C1CC1 ZINC000436023160 1194979941 /nfs/dbraw/zinc/97/99/41/1194979941.db2.gz OITBSAFCVNEYCJ-ZDUSSCGKSA-N 1 0 389.456 0.777 20 30 GCEDRO CNC(=O)[C@H]1CCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)Cc1ccc(C#N)cc1 ZINC000515537286 1194982230 /nfs/dbraw/zinc/98/22/30/1194982230.db2.gz YEFZIRYWXDLHHJ-ZWKOTPCHSA-N 1 0 399.495 0.479 20 30 GCEDRO 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392.452 0.940 20 30 GCEDRO CC[NH+](CC)CCN(C)C(=O)C12CC(NC(=O)[C@H](CS)NC(C)=O)(C1)C2 ZINC001271272267 1196293305 /nfs/dbraw/zinc/29/33/05/1196293305.db2.gz MWVSDULROKHCEO-NNGSBXSVSA-N 1 0 384.546 0.260 20 30 GCEDRO CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](n3cnc(C(N)=O)n3)C2)CC1 ZINC000330352096 1196299768 /nfs/dbraw/zinc/29/97/68/1196299768.db2.gz NBCWDEURDCXOMM-OAHLLOKOSA-N 1 0 377.493 0.843 20 30 GCEDRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)c(C)c1 ZINC000281555402 1196309329 /nfs/dbraw/zinc/30/93/29/1196309329.db2.gz OKPWVDDHLSAFTA-UHFFFAOYSA-N 1 0 394.497 0.278 20 30 GCEDRO COC(=O)CN(CCN1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(C#N)c1 ZINC000281645286 1196317626 /nfs/dbraw/zinc/31/76/26/1196317626.db2.gz VVEKCZYNIUHNFK-UHFFFAOYSA-N 1 0 398.460 0.108 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCC[C@H]1CNC(=[NH2+])N1CCN(c2ccc(F)cc2)CC1 ZINC000262369390 1196319777 /nfs/dbraw/zinc/31/97/77/1196319777.db2.gz IHNCVIYDUJTWHN-WMLDXEAASA-N 1 0 397.520 0.980 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)NC1CCN(CC(=O)N(C)C)CC1 ZINC000262377401 1196324886 /nfs/dbraw/zinc/32/48/86/1196324886.db2.gz JUUUPVWDWGACBB-CGTJXYLNSA-N 1 0 379.549 0.908 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)ccc1Cl ZINC000522830651 1196348417 /nfs/dbraw/zinc/34/84/17/1196348417.db2.gz LVYGVQDYRVEUFB-GFCCVEGCSA-N 1 0 391.859 0.854 20 30 GCEDRO C=C[C@](C)(O)C(=O)N(C)CCN(CC[NH+]1CCCCC1)C(=O)[C@@](C)(O)C=C ZINC000614735054 1196409070 /nfs/dbraw/zinc/40/90/70/1196409070.db2.gz QUBGNJCBJORJCC-PMACEKPBSA-N 1 0 381.517 0.633 20 30 GCEDRO COc1ccc(CN2CCN3[C@@H](CNS3(=O)=O)C2)cc1OCCCC#N ZINC000897282483 1196438211 /nfs/dbraw/zinc/43/82/11/1196438211.db2.gz MBJIZYWVZYOKII-HNNXBMFYSA-N 1 0 380.470 0.712 20 30 GCEDRO O=C(c1ccco1)N1CCN(C(NC[C@H]2CCS(=O)(=O)C2)=[NH+]C2CC2)CC1 ZINC000262514774 1196452652 /nfs/dbraw/zinc/45/26/52/1196452652.db2.gz CIUSYUXLCICYSQ-CQSZACIVSA-N 1 0 394.497 0.580 20 30 GCEDRO CC[NH+]=C(NCC1CCN(C(C)=O)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000179081305 1196462808 /nfs/dbraw/zinc/46/28/08/1196462808.db2.gz BCVHKZDRQIINSE-IBGZPJMESA-N 1 0 379.549 0.865 20 30 GCEDRO Cc1cccc(NC(=O)C(=O)Nc2cnn(CC(=O)NCC[NH+](C)C)c2)c1C#N ZINC000475606017 1196494930 /nfs/dbraw/zinc/49/49/30/1196494930.db2.gz RNDJGMKKVDAEHX-UHFFFAOYSA-N 1 0 397.439 0.318 20 30 GCEDRO COC[C@](C)(CC(=O)OC)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000440545694 1196521028 /nfs/dbraw/zinc/52/10/28/1196521028.db2.gz DWLNKMDQXQEGRL-SFHVURJKSA-N 1 0 393.444 0.061 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN([C@@H](C)C(=O)NCCCOC)CC2)CC1 ZINC000524464271 1196597515 /nfs/dbraw/zinc/59/75/15/1196597515.db2.gz IIWIJNDBCMOXOX-KRWDZBQOSA-N 1 0 395.548 0.505 20 30 GCEDRO C[NH+]=C(NCC(=O)Nc1cccc(F)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262570706 1196645848 /nfs/dbraw/zinc/64/58/48/1196645848.db2.gz MWXCLOMRJBPDDP-INIZCTEOSA-N 1 0 391.447 0.663 20 30 GCEDRO CNC(=O)c1ccc(CNC(=[NH+]C)N2CCN(C(=O)[C@@H]3CCCO3)CC2)cc1 ZINC000262588776 1196690744 /nfs/dbraw/zinc/69/07/44/1196690744.db2.gz UBXZTUSGHDYYJQ-KRWDZBQOSA-N 1 0 387.484 0.445 20 30 GCEDRO N#Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000447248982 1196703649 /nfs/dbraw/zinc/70/36/49/1196703649.db2.gz MNQYNPXUSXDHGT-LBPRGKRZSA-N 1 0 395.441 0.475 20 30 GCEDRO C=CCNC(=O)c1cccc(S(=O)(=O)NC[C@H](C)N2CC[NH+](CC)CC2)c1 ZINC000525894152 1196723886 /nfs/dbraw/zinc/72/38/86/1196723886.db2.gz GWBUVTSUAFAPBO-INIZCTEOSA-N 1 0 394.541 0.907 20 30 GCEDRO O=C(C[NH+]1CCCC1)N1CCN(CC#CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000528370540 1196854181 /nfs/dbraw/zinc/85/41/81/1196854181.db2.gz FIGFHTHELKGESY-UHFFFAOYSA-N 1 0 394.475 0.526 20 30 GCEDRO CS(=O)(=O)NC[C@@H]1CCCN(CC#CCN2C(=O)c3ccccc3C2=O)C1 ZINC000528408388 1196856971 /nfs/dbraw/zinc/85/69/71/1196856971.db2.gz PLAMMUCLAXQFSS-HNNXBMFYSA-N 1 0 389.477 0.547 20 30 GCEDRO N#Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000528429559 1196858152 /nfs/dbraw/zinc/85/81/52/1196858152.db2.gz KBVFZDPOIHBPMQ-SFHVURJKSA-N 1 0 375.469 0.457 20 30 GCEDRO N#Cc1ccccc1OC[C@H](O)C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000528429549 1196858474 /nfs/dbraw/zinc/85/84/74/1196858474.db2.gz KBVFZDPOIHBPMQ-GOSISDBHSA-N 1 0 375.469 0.457 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529384060 1196919461 /nfs/dbraw/zinc/91/94/61/1196919461.db2.gz YBOVSTHXQNJKRS-INIZCTEOSA-N 1 0 380.452 0.926 20 30 GCEDRO C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CC(=O)N(c3ccc(C#N)c(Cl)c3)C2)C1 ZINC000450627356 1196944133 /nfs/dbraw/zinc/94/41/33/1196944133.db2.gz UEMMMUPPILHUKI-SCLBCKFNSA-N 1 0 376.844 0.747 20 30 GCEDRO Cn1nccc1[C@H]1[C@H]([NH2+]C[C@H](O)COc2ccccc2C#N)CCC(=O)N1C ZINC000530234636 1196969607 /nfs/dbraw/zinc/96/96/07/1196969607.db2.gz SBRZLTWQTSYQKB-RZQQEMMASA-N 1 0 383.452 0.983 20 30 GCEDRO CC[NH+]=C(NCCc1ccco1)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000262703894 1196978101 /nfs/dbraw/zinc/97/81/01/1196978101.db2.gz ZTIZRBDPDMVBJU-QGZVFWFLSA-N 1 0 398.529 0.914 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@@H]([C@H](CO)C3CC3)C3CC3)CC2)o1 ZINC000451600742 1197001023 /nfs/dbraw/zinc/00/10/23/1197001023.db2.gz HKDHTPXREFJAES-VQIMIIECSA-N 1 0 387.484 0.890 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1=O ZINC000531187397 1197051634 /nfs/dbraw/zinc/05/16/34/1197051634.db2.gz OJNSVWHWYDYDHX-UHFFFAOYSA-N 1 0 388.428 0.374 20 30 GCEDRO Cn1c2ccccc2cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1=O ZINC000262726393 1197054598 /nfs/dbraw/zinc/05/45/98/1197054598.db2.gz ZNBWPGBZTCHBLD-UHFFFAOYSA-N 1 0 377.452 0.965 20 30 GCEDRO Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1S(=O)(=O)NCC#N ZINC000452773119 1197080434 /nfs/dbraw/zinc/08/04/34/1197080434.db2.gz BAIBUTHKKULZIR-MRXNPFEDSA-N 1 0 394.497 0.374 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000531703542 1197092896 /nfs/dbraw/zinc/09/28/96/1197092896.db2.gz JRRXRLIBVYPPEH-GUYCJALGSA-N 1 0 396.538 0.779 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000531966007 1197105199 /nfs/dbraw/zinc/10/51/99/1197105199.db2.gz CMWIXKFAEDCORB-CYBMUJFWSA-N 1 0 375.454 0.329 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(=O)Nc3ccn(-c4cccc(F)c4C#N)n3)C[C@@H]21 ZINC000453914291 1197151459 /nfs/dbraw/zinc/15/14/59/1197151459.db2.gz HSOJWWJLKPPCBS-WBMJQRKESA-N 1 0 382.399 0.984 20 30 GCEDRO CC[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCN(C(C)=O)CC1 ZINC000263253824 1197257023 /nfs/dbraw/zinc/25/70/23/1197257023.db2.gz PUYNHAYOJYVNAC-GOSISDBHSA-N 1 0 383.562 0.324 20 30 GCEDRO C[N@@H+]1CC[C@@]2(CCN(S(=O)(=O)c3ccccc3S(=O)(=O)NCC#N)C2)C1 ZINC000349444549 1197258700 /nfs/dbraw/zinc/25/87/00/1197258700.db2.gz AJFGAHBMZXVUCO-MRXNPFEDSA-N 1 0 398.510 0.205 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCC(C)(C)N3CCOCC3)=[NH+]C[C@@H]2C1 ZINC000305014808 1197327344 /nfs/dbraw/zinc/32/73/44/1197327344.db2.gz LPVIYIYSZSZVHH-OAHLLOKOSA-N 1 0 381.521 0.978 20 30 GCEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533383684 1197448663 /nfs/dbraw/zinc/44/86/63/1197448663.db2.gz XUYFXEKDUKZCQQ-KBPBESRZSA-N 1 0 398.510 0.036 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@H]3CN(C)C[C@@H](C)O3)[C@H]2C)CC1 ZINC000988757842 1197505634 /nfs/dbraw/zinc/50/56/34/1197505634.db2.gz ZUQQRZIVDLRTFG-ZAWLATJESA-N 1 0 390.528 0.156 20 30 GCEDRO C#CCNC(=O)CN1CCCN(C(=O)C[C@H](C)NC(=O)C2CCCC2)CC1 ZINC000078678607 1197506446 /nfs/dbraw/zinc/50/64/46/1197506446.db2.gz BLPVXJRLIYFCHZ-INIZCTEOSA-N 1 0 376.501 0.355 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000261948681 1197520479 /nfs/dbraw/zinc/52/04/79/1197520479.db2.gz GQPKIDWSFWNYKB-OAQYLSRUSA-N 1 0 399.495 0.446 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)[C@H]2C)CC1 ZINC000989156044 1197572720 /nfs/dbraw/zinc/57/27/20/1197572720.db2.gz IHCMIJVIUGBTMI-YMDNOQLFSA-N 1 0 385.508 0.861 20 30 GCEDRO C[NH+]1CCN(c2ccc(CNc3ccc(S(N)(=O)=O)cc3C#N)cn2)CC1 ZINC000301364857 1199029139 /nfs/dbraw/zinc/02/91/39/1199029139.db2.gz RTVGUSHLJJNTDP-UHFFFAOYSA-N 1 0 386.481 0.965 20 30 GCEDRO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC2(C#N)CC[NH+](C)CC2)[C@@H](C)O)cc1 ZINC000542784011 1199041261 /nfs/dbraw/zinc/04/12/61/1199041261.db2.gz YSRPDLHZLUGMBV-ZBFHGGJFSA-N 1 0 394.497 0.127 20 30 GCEDRO C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCCc2[nH]nc(N)c2C#N)C[C@H](C)O1 ZINC000542824574 1199066997 /nfs/dbraw/zinc/06/69/97/1199066997.db2.gz RLGTUNYRLQFEHG-OKILXGFUSA-N 1 0 377.493 0.937 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000672356295 1199215727 /nfs/dbraw/zinc/21/57/27/1199215727.db2.gz DDPQHUNAQPKFJS-SFHVURJKSA-N 1 0 378.517 0.466 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000672356888 1199215941 /nfs/dbraw/zinc/21/59/41/1199215941.db2.gz UUEVEKZIWKCURV-MRXNPFEDSA-N 1 0 379.501 0.940 20 30 GCEDRO C[NH+](C)CCN1C(=O)COCC12CN(C(=O)C#Cc1ccc(Cl)cc1)C2 ZINC001272952372 1199217619 /nfs/dbraw/zinc/21/76/19/1199217619.db2.gz WZIRYKRDMUPRDB-UHFFFAOYSA-N 1 0 375.856 0.693 20 30 GCEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CN(C)S(=O)(=O)c1ccc(C#N)cc1 ZINC000115439023 1199513193 /nfs/dbraw/zinc/51/31/93/1199513193.db2.gz SZFXFHZRENBNDA-MRXNPFEDSA-N 1 0 378.498 0.979 20 30 GCEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000265846552 1199653383 /nfs/dbraw/zinc/65/33/83/1199653383.db2.gz OXQYOVQQAQVOLQ-HOTGVXAUSA-N 1 0 395.481 0.033 20 30 GCEDRO Cc1onc(CC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)c1C#N ZINC000499908593 1199810490 /nfs/dbraw/zinc/81/04/90/1199810490.db2.gz TVNCHJUMIQAMAL-UHFFFAOYSA-N 1 0 383.456 0.906 20 30 GCEDRO CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000428977502 1199868600 /nfs/dbraw/zinc/86/86/00/1199868600.db2.gz IXQVHZXKMQEUCS-NRFANRHFSA-N 1 0 379.464 1.461 20 30 GCEDRO C[C@@H](CC#N)N(C)S(=O)(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000282418612 1199918852 /nfs/dbraw/zinc/91/88/52/1199918852.db2.gz BIRWWYGURKXWRJ-KRWDZBQOSA-N 1 0 379.530 0.873 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH2+][C@]3(CO)CCc4ccccc43)CC2)o1 ZINC000132286447 1199963097 /nfs/dbraw/zinc/96/30/97/1199963097.db2.gz NDGHZGGYTWBWEW-NRFANRHFSA-N 1 0 395.463 0.927 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1OC ZINC000946818981 1200174526 /nfs/dbraw/zinc/17/45/26/1200174526.db2.gz SNPNKXJWQOWXGA-ZJPYXAASSA-N 1 0 384.436 0.881 20 30 GCEDRO C=CCOCC[N@H+]1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2ccnn2C)[C@@H](n2ccnn2)C1 ZINC001129118492 1200469707 /nfs/dbraw/zinc/46/97/07/1200469707.db2.gz LZOKFYVUXMELOT-KONPQCLYSA-N 1 0 385.472 0.359 20 30 GCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1nn(C(C)(C)C)cc1C#N ZINC000553053886 1200628439 /nfs/dbraw/zinc/62/84/39/1200628439.db2.gz QRXFSOVERCVHGI-HNNXBMFYSA-N 1 0 390.488 1.017 20 30 GCEDRO C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000573460712 1200662208 /nfs/dbraw/zinc/66/22/08/1200662208.db2.gz YEYMWMVNDZQSQR-SFHVURJKSA-N 1 0 394.479 1.511 20 30 GCEDRO C[NH+]1CCC(CNC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000491483033 1200670762 /nfs/dbraw/zinc/67/07/62/1200670762.db2.gz FBWORPOMPAGGGZ-UHFFFAOYSA-N 1 0 381.440 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391.280 0.890 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000843459787 642370275 /nfs/dbraw/zinc/37/02/75/642370275.db2.gz IHICMHHFNFEBNO-PELKAZGASA-N 1 0 377.253 0.499 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000423018588 1192175617 /nfs/dbraw/zinc/17/56/17/1192175617.db2.gz ZJBBZROZPRMOQV-NRFANRHFSA-N 1 0 381.480 0.557 20 30 GCEDRO C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NCC(=O)NCC#N)CC1 ZINC000511919100 1192209400 /nfs/dbraw/zinc/20/94/00/1192209400.db2.gz KFRMVEQJTTUQHY-UHFFFAOYSA-N 1 0 388.472 0.098 20 30 GCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000662167081 1192251302 /nfs/dbraw/zinc/25/13/02/1192251302.db2.gz RMFVZBXJBSXBOE-ZIAGYGMSSA-N 1 0 383.470 0.171 20 30 GCEDRO CCOC(=O)CON=C(C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21)c1ccn[nH]1 ZINC000278866832 1192307462 /nfs/dbraw/zinc/30/74/62/1192307462.db2.gz XRNPEVAWRQHJGI-DVHWGFDPSA-N 1 0 377.445 0.636 20 30 GCEDRO 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N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)C2=O)cc1 ZINC000418911066 1192687543 /nfs/dbraw/zinc/68/75/43/1192687543.db2.gz PRPUQJDRUQPDTJ-ROUUACIJSA-N 1 0 397.479 0.804 20 30 GCEDRO C[C@H](NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000418910586 1192687740 /nfs/dbraw/zinc/68/77/40/1192687740.db2.gz OXFYAHNTXRUGMC-ZVZYQTTQSA-N 1 0 397.479 0.674 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418916649 1192688705 /nfs/dbraw/zinc/68/87/05/1192688705.db2.gz XEUXLGUEQDMXRU-IAGOWNOFSA-N 1 0 383.452 0.380 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418913724 1192690159 /nfs/dbraw/zinc/69/01/59/1192690159.db2.gz STIDJPQWWBKWPU-NVXWUHKLSA-N 1 0 385.468 0.659 20 30 GCEDRO C=CCOc1ccccc1CNC(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000418939724 1192695912 /nfs/dbraw/zinc/69/59/12/1192695912.db2.gz RTSQNAOWGQSLSO-MRXNPFEDSA-N 1 0 388.468 0.181 20 30 GCEDRO 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LIXXIKZJLAOBBG-AWEZNQCLSA-N 1 0 399.542 0.146 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000121476418 1185923451 /nfs/dbraw/zinc/92/34/51/1185923451.db2.gz VKFGYMAEHDUQGD-UHFFFAOYSA-N 1 0 385.472 0.665 20 30 GCEDRO C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000328844866 1185960906 /nfs/dbraw/zinc/96/09/06/1185960906.db2.gz QBSXWYHTFWKXNL-DGCLKSJQSA-N 1 0 391.472 0.316 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N[C@H]2CCCC[C@@H]2C[NH+](CC)CC)C1=O ZINC000430828925 1186035407 /nfs/dbraw/zinc/03/54/07/1186035407.db2.gz WMPMPECFJUVXAW-CABCVRRESA-N 1 0 378.473 0.980 20 30 GCEDRO COc1ccc(S(=O)(=O)N2CC(NC(=O)[C@@H]3C[C@H](OC)C[N@H+]3C)C2)cc1 ZINC000328980313 1186075895 /nfs/dbraw/zinc/07/58/95/1186075895.db2.gz RJDMOIXZDMIDRU-HOCLYGCPSA-N 1 0 383.470 0.744 20 30 GCEDRO Cc1ccc(C#N)c(N2CCC[C@H](C(=O)NCCC[N@@H+]3CCC[C@H]3C(N)=O)C2)n1 ZINC000471955220 1186161917 /nfs/dbraw/zinc/16/19/17/1186161917.db2.gz WSBQGYCJQFMUFY-ROUUACIJSA-N 1 0 398.511 0.934 20 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/nfs/dbraw/zinc/63/42/27/1187634227.db2.gz NEGAUJPEZNXDOV-UHFFFAOYSA-N 1 0 391.516 0.491 20 30 GCEDRO C[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC[N@@H+]1CC(C)(C)O ZINC000580865653 1187703351 /nfs/dbraw/zinc/70/33/51/1187703351.db2.gz XMGSWHZIZLJBLH-CQSZACIVSA-N 1 0 394.497 0.140 20 30 GCEDRO C[NH+]1CCN(c2ncccc2CNC(=O)C(=O)Nc2cccc(C#N)n2)CC1 ZINC000563095952 1187745694 /nfs/dbraw/zinc/74/56/94/1187745694.db2.gz HCRMNGUOFPKXET-UHFFFAOYSA-N 1 0 379.424 0.355 20 30 GCEDRO C#CCNS(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCCC)CC2)CC1 ZINC000892570080 1187778499 /nfs/dbraw/zinc/77/84/99/1187778499.db2.gz JLJDCINGURLELO-UHFFFAOYSA-N 1 0 385.534 0.046 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000249427353 1187824787 /nfs/dbraw/zinc/82/47/87/1187824787.db2.gz YJRKOALZVHTYBB-QZTJIDSGSA-N 1 0 379.549 0.456 20 30 GCEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)N1CCC2(CC1)CC(=O)C=CO2 ZINC000892649813 1187878015 /nfs/dbraw/zinc/87/80/15/1187878015.db2.gz MWNRVYFBRJNJHL-QGZVFWFLSA-N 1 0 392.500 0.976 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](C)[C@H](CC[NH2+]CCCN2C(=O)CNC2=O)C1 ZINC001104699780 1188002466 /nfs/dbraw/zinc/00/24/66/1188002466.db2.gz KEJYWEKZILUZKC-VQHPVUNQSA-N 1 0 392.500 0.594 20 30 GCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1C[C@@H](O)[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001025436252 1188008461 /nfs/dbraw/zinc/00/84/61/1188008461.db2.gz GHOOEUNQPMOFEK-MKXGPGLRSA-N 1 0 393.528 0.776 20 30 GCEDRO C=CC[C@H]1CCCN(C(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)C1 ZINC000659722004 1188008887 /nfs/dbraw/zinc/00/88/87/1188008887.db2.gz ANGHRDSZOMIHTA-KBPBESRZSA-N 1 0 376.423 0.753 20 30 GCEDRO C#CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000377474694 1188032226 /nfs/dbraw/zinc/03/22/26/1188032226.db2.gz JCLKDKRQXSVTSG-JKSUJKDBSA-N 1 0 377.466 0.191 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)N2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(F)c1 ZINC000415323980 1188033588 /nfs/dbraw/zinc/03/35/88/1188033588.db2.gz DRJANOSDYQDLIG-CQSZACIVSA-N 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N#Cc1ccc(Cn2cnc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)n2)cc1 ZINC000415429098 1188079254 /nfs/dbraw/zinc/07/92/54/1188079254.db2.gz QXIMVHBGDMTFHW-KRWDZBQOSA-N 1 0 395.467 1.160 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)CC[C@H]1[NH3+] ZINC000415444683 1188082646 /nfs/dbraw/zinc/08/26/46/1188082646.db2.gz HNFXMEILWFMNML-SMDDNHRTSA-N 1 0 386.843 1.532 20 30 GCEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000377604411 1188086750 /nfs/dbraw/zinc/08/67/50/1188086750.db2.gz RNHXBYWZLKPSSD-MAUKXSAKSA-N 1 0 387.459 0.732 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000415519369 1188096973 /nfs/dbraw/zinc/09/69/73/1188096973.db2.gz JNUNVWJBAASVEK-KBPBESRZSA-N 1 0 394.497 0.627 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415578129 1188112141 /nfs/dbraw/zinc/11/21/41/1188112141.db2.gz ZJEPQBLPARBTSH-KGLIPLIRSA-N 1 0 394.497 0.640 20 30 GCEDRO N#Cc1cccnc1Oc1ccccc1NC(=O)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000415603327 1188121130 /nfs/dbraw/zinc/12/11/30/1188121130.db2.gz UGLQUGGVGYELBT-CQSZACIVSA-N 1 0 381.392 0.870 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH2+]CC)cc1 ZINC000415658008 1188134579 /nfs/dbraw/zinc/13/45/79/1188134579.db2.gz OYHNIGCHNWHIMT-CYBMUJFWSA-N 1 0 382.486 0.546 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000415695705 1188142458 /nfs/dbraw/zinc/14/24/58/1188142458.db2.gz SVHICJDLNLAEML-CYBMUJFWSA-N 1 0 387.337 0.588 20 30 GCEDRO C[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccn(-c3ccc(C#N)cc3Cl)n2)C1 ZINC000415697913 1188142467 /nfs/dbraw/zinc/14/24/67/1188142467.db2.gz XHTQPNPXROMPGE-SFHVURJKSA-N 1 0 386.843 1.533 20 30 GCEDRO N#Cc1ccc(NCCNC(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)nc1 ZINC000728714954 1188145195 /nfs/dbraw/zinc/14/51/95/1188145195.db2.gz FANGAZWQZGACPQ-UHFFFAOYSA-N 1 0 385.472 0.315 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@]4(CC[NH2+]C4)C3)n2)c(F)c1 ZINC000415715439 1188148399 /nfs/dbraw/zinc/14/83/99/1188148399.db2.gz AOXGWCQUSFTQDW-HXUWFJFHSA-N 1 0 396.426 1.424 20 30 GCEDRO COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cncc(C#N)c3=O)CC2)cc1 ZINC000377873803 1188161599 /nfs/dbraw/zinc/16/15/99/1188161599.db2.gz LARLJKITMZDDAK-UHFFFAOYSA-N 1 0 381.436 0.858 20 30 GCEDRO C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000377893812 1188164944 /nfs/dbraw/zinc/16/49/44/1188164944.db2.gz HAKSFJFIQTYIHU-UHFFFAOYSA-N 1 0 381.440 0.926 20 30 GCEDRO CN(C)CC[N@H+](C)CCCNC(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377891350 1188165626 /nfs/dbraw/zinc/16/56/26/1188165626.db2.gz ARAZUBROHYSMAR-UHFFFAOYSA-N 1 0 398.471 0.077 20 30 GCEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000377900547 1189367105 /nfs/dbraw/zinc/36/71/05/1189367105.db2.gz MQRHKIPMHSMKDS-CVEARBPZSA-N 1 0 376.482 0.922 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415824869 1189372306 /nfs/dbraw/zinc/37/23/06/1189372306.db2.gz XGXWVHDQQCBHNK-UHFFFAOYSA-N 1 0 394.497 0.642 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)n1 ZINC000415822777 1189374063 /nfs/dbraw/zinc/37/40/63/1189374063.db2.gz NGJGEFMCDIXRQD-OAHLLOKOSA-N 1 0 384.415 1.455 20 30 GCEDRO CN1CC[NH2+]C[C@H]1CNC(=O)C(=O)Nc1ccc(OC(F)(F)F)c(C#N)c1 ZINC000415861492 1189385754 /nfs/dbraw/zinc/38/57/54/1189385754.db2.gz WAZIRGZNMSLZCY-LBPRGKRZSA-N 1 0 385.346 0.415 20 30 GCEDRO [NH3+]C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCO1 ZINC000415867991 1189389409 /nfs/dbraw/zinc/38/94/09/1189389409.db2.gz XQFYKXLFMUWZSW-LJQANCHMSA-N 1 0 378.432 0.996 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)n1 ZINC000415902310 1189399432 /nfs/dbraw/zinc/39/94/32/1189399432.db2.gz XYVYSUQBXMUKRD-OLZOCXBDSA-N 1 0 382.399 0.889 20 30 GCEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(C#N)cc3)CC[C@@H]21 ZINC000290552880 1189413430 /nfs/dbraw/zinc/41/34/30/1189413430.db2.gz QDQDCVHCGTTYQN-WBVHZDCISA-N 1 0 376.482 0.779 20 30 GCEDRO CN(CCCNC(=O)CS(=O)(=O)Cc1ccc(C#N)cc1)CC[NH+](C)C ZINC000290567897 1189415836 /nfs/dbraw/zinc/41/58/36/1189415836.db2.gz GGZSTILIVBBMQF-UHFFFAOYSA-N 1 0 380.514 0.473 20 30 GCEDRO CC(=O)c1cccc(S(=O)(=O)NCCC(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000613717777 1189556827 /nfs/dbraw/zinc/55/68/27/1189556827.db2.gz UGSODQYDLGYXIK-UHFFFAOYSA-N 1 0 392.481 0.662 20 30 GCEDRO COC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000066833007 1189570236 /nfs/dbraw/zinc/57/02/36/1189570236.db2.gz ULLAPJGQPCXSBA-CQSZACIVSA-N 1 0 375.429 0.388 20 30 GCEDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000481170524 1189571333 /nfs/dbraw/zinc/57/13/33/1189571333.db2.gz WKOYKSZENPGHBF-IRXDYDNUSA-N 1 0 398.511 0.838 20 30 GCEDRO N#CCc1ccccc1S(=O)(=O)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000601336903 1189609994 /nfs/dbraw/zinc/60/99/94/1189609994.db2.gz PVPKJGULTYMDOX-UHFFFAOYSA-N 1 0 376.482 0.681 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000364069625 1189640235 /nfs/dbraw/zinc/64/02/35/1189640235.db2.gz YJWFETYTPNFCSL-CVEARBPZSA-N 1 0 379.482 0.744 20 30 GCEDRO COC[C@@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]1 ZINC000418082102 1189720300 /nfs/dbraw/zinc/72/03/00/1189720300.db2.gz WPQATSBOMCFOSI-PXNSSMCTSA-N 1 0 385.468 0.727 20 30 GCEDRO COC[C@]1(CNC(=O)N[C@H]2CCN(Cc3ccc(C#N)cc3)C2=O)CCC[NH2+]1 ZINC000418082101 1189720461 /nfs/dbraw/zinc/72/04/61/1189720461.db2.gz WPQATSBOMCFOSI-FXAWDEMLSA-N 1 0 385.468 0.727 20 30 GCEDRO C=CCCC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105289774 1189768243 /nfs/dbraw/zinc/76/82/43/1189768243.db2.gz IXHJKJJPBVMXMG-JCGIZDLHSA-N 1 0 375.473 0.769 20 30 GCEDRO C[NH2+]C[C@@H](C)CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418362282 1189768973 /nfs/dbraw/zinc/76/89/73/1189768973.db2.gz AZQOEQDAODQMSN-CQSZACIVSA-N 1 0 379.486 0.430 20 30 GCEDRO C[C@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000500318344 1189773599 /nfs/dbraw/zinc/77/35/99/1189773599.db2.gz TWYLAUCGJRNEOP-GARNVTTQSA-N 1 0 399.561 0.811 20 30 GCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418415099 1189780812 /nfs/dbraw/zinc/78/08/12/1189780812.db2.gz UEWFDPXHKSKGFD-HNNXBMFYSA-N 1 0 379.486 0.557 20 30 GCEDRO CC[NH+](CC)CCN(C(=O)Cc1noc(C)c1C#N)[C@H]1CCS(=O)(=O)C1 ZINC000500349316 1189785915 /nfs/dbraw/zinc/78/59/15/1189785915.db2.gz PVBMEQNFOXYCDN-AWEZNQCLSA-N 1 0 382.486 0.755 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418456789 1189792579 /nfs/dbraw/zinc/79/25/79/1189792579.db2.gz IAXJJBLLMUAGEN-GDBMZVCRSA-N 1 0 391.497 0.702 20 30 GCEDRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418474268 1189797886 /nfs/dbraw/zinc/79/78/86/1189797886.db2.gz OHSMGAXGPLYOJX-UHFFFAOYSA-N 1 0 379.486 0.574 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000418528779 1189816573 /nfs/dbraw/zinc/81/65/73/1189816573.db2.gz RVLSOYHDVQJLOC-UHFFFAOYSA-N 1 0 377.470 0.456 20 30 GCEDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)C[NH2+]CC(=O)NCC#Cc1ccccc1 ZINC001267995904 1189837037 /nfs/dbraw/zinc/83/70/37/1189837037.db2.gz RBEXETQAJZRYFE-MZNRPPOFSA-N 1 0 395.503 0.920 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)[C@@H]2C1 ZINC000974924187 1189909592 /nfs/dbraw/zinc/90/95/92/1189909592.db2.gz DLIAZGVOPLCPFD-OWYHZJEWSA-N 1 0 391.512 0.748 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC000661008546 1189980137 /nfs/dbraw/zinc/98/01/37/1189980137.db2.gz ZKBLUJNZRZKUNL-RTBURBONSA-N 1 0 398.507 0.965 20 30 GCEDRO CC[NH+]=C(NCCc1nccs1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261717306 1193763903 /nfs/dbraw/zinc/76/39/03/1193763903.db2.gz HZIRKENBYFSEAV-QGZVFWFLSA-N 1 0 378.502 0.961 20 30 GCEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N[C@@H]1CCc2nc(COC)nn2C1 ZINC000261721526 1193785219 /nfs/dbraw/zinc/78/52/19/1193785219.db2.gz IKMGNRNDIRLGPM-CYBMUJFWSA-N 1 0 387.492 0.422 20 30 GCEDRO N#Cc1ccc(CNC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000419295364 1193790931 /nfs/dbraw/zinc/79/09/31/1193790931.db2.gz WTUZFVIBYKWAMS-CQSZACIVSA-N 1 0 383.374 0.127 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1 ZINC000419296939 1193792083 /nfs/dbraw/zinc/79/20/83/1193792083.db2.gz YHADZLSOXKQOSS-MAUKXSAKSA-N 1 0 397.479 0.406 20 30 GCEDRO CNC(=O)CC1CCN(C(NCC2CCN(S(C)(=O)=O)CC2)=[NH+]C)CC1 ZINC000261733963 1193828871 /nfs/dbraw/zinc/82/88/71/1193828871.db2.gz JVMDANUZIJJAGL-UHFFFAOYSA-N 1 0 387.550 0.082 20 30 GCEDRO C[NH+]=C(NCc1cnc(C)s1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261760287 1193878517 /nfs/dbraw/zinc/87/85/17/1193878517.db2.gz MWJPYJGZSMPRIZ-UHFFFAOYSA-N 1 0 398.514 0.663 20 30 GCEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433496311 1193883142 /nfs/dbraw/zinc/88/31/42/1193883142.db2.gz KGPNBZKGOBZWTI-INIZCTEOSA-N 1 0 389.431 0.695 20 30 GCEDRO CC[NH+]=C(NC[C@H](O)c1ccccc1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261772041 1193888728 /nfs/dbraw/zinc/88/87/28/1193888728.db2.gz ODSPMZYYGIKTBR-OXJNMPFZSA-N 1 0 387.484 0.996 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)CNC1=O)N[C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000261659945 1193922877 /nfs/dbraw/zinc/92/28/77/1193922877.db2.gz FVLDXBYJLBCSDN-ZDUSSCGKSA-N 1 0 378.864 0.636 20 30 GCEDRO CC[NH+]=C(NCc1c[nH]nc1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261683673 1193923212 /nfs/dbraw/zinc/92/32/12/1193923212.db2.gz DJGGZZIUPFRGMN-UHFFFAOYSA-N 1 0 395.489 0.319 20 30 GCEDRO CC[NH+]=C(NCc1nccn1C(F)F)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261730119 1193924000 /nfs/dbraw/zinc/92/40/00/1193924000.db2.gz LKYQJRCENQBHLZ-UHFFFAOYSA-N 1 0 380.403 0.826 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261746676 1193924632 /nfs/dbraw/zinc/92/46/32/1193924632.db2.gz LJDRNSYHJOJTJS-CYBMUJFWSA-N 1 0 398.514 0.278 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261749600 1193924646 /nfs/dbraw/zinc/92/46/46/1193924646.db2.gz LQXRBSOEWNEJKZ-GOSISDBHSA-N 1 0 382.468 0.958 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261749603 1193924734 /nfs/dbraw/zinc/92/47/34/1193924734.db2.gz LQXRBSOEWNEJKZ-SFHVURJKSA-N 1 0 382.468 0.958 20 30 GCEDRO CC[NH+]=C(NCc1nccn1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261747900 1193924752 /nfs/dbraw/zinc/92/47/52/1193924752.db2.gz LNHOLVXSEKSYJI-UHFFFAOYSA-N 1 0 395.489 0.021 20 30 GCEDRO C[NH+]=C(NCc1nncn1C)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC000261757764 1193925241 /nfs/dbraw/zinc/92/52/41/1193925241.db2.gz MPMLHEOOXWWMFG-UHFFFAOYSA-N 1 0 375.864 0.888 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261773267 1193925882 /nfs/dbraw/zinc/92/58/82/1193925882.db2.gz PLNUDLSMLGXKLH-KBAYOESNSA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCC1(C(=O)N(C)C)CCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261792865 1193926661 /nfs/dbraw/zinc/92/66/61/1193926661.db2.gz RAGKBLURDATERO-UHFFFAOYSA-N 1 0 389.504 0.293 20 30 GCEDRO CCc1nsc(N2CCN(C(NCc3cnc(N(C)C)n3C)=[NH+]C)CC2)n1 ZINC000261796991 1193926672 /nfs/dbraw/zinc/92/66/72/1193926672.db2.gz RARVWLHIMWYHHD-UHFFFAOYSA-N 1 0 391.549 0.798 20 30 GCEDRO CC[NH+]=C(NC[C@H](O)c1ccc(F)cc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261808376 1193927116 /nfs/dbraw/zinc/92/71/16/1193927116.db2.gz SJIHNGUZYNESTA-KRWDZBQOSA-N 1 0 388.447 0.907 20 30 GCEDRO C[NH+]=C(NCc1nnc2n1CCCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261834639 1193927945 /nfs/dbraw/zinc/92/79/45/1193927945.db2.gz VRKDTDKAJXJZDS-UHFFFAOYSA-N 1 0 385.476 0.162 20 30 GCEDRO CC[NH+]=C(NCCC(=O)N1CCOCC1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261843750 1193928707 /nfs/dbraw/zinc/92/87/07/1193928707.db2.gz WXMUJVICZKBXGW-MRXNPFEDSA-N 1 0 378.477 0.008 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000261852035 1193929064 /nfs/dbraw/zinc/92/90/64/1193929064.db2.gz YDTLURXORLWYLB-KRWDZBQOSA-N 1 0 391.497 0.843 20 30 GCEDRO C[NH+]=C(NCc1cccc(OC)c1OC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261863711 1193929441 /nfs/dbraw/zinc/92/94/41/1193929441.db2.gz YUINRUTYILJDAV-UHFFFAOYSA-N 1 0 386.456 0.862 20 30 GCEDRO CNC(=O)CC1CCN(C(NCC(=O)N2CCc3ccccc3C2)=[NH+]C)CC1 ZINC000261863218 1193929576 /nfs/dbraw/zinc/92/95/76/1193929576.db2.gz ZOBIGIDACXAWHE-UHFFFAOYSA-N 1 0 385.512 0.995 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CC[C@@H](c3cnn(C)c3)C2)n1C ZINC000261936702 1193932429 /nfs/dbraw/zinc/93/24/29/1193932429.db2.gz CRHHIEACYDQACR-NVXWUHKLSA-N 1 0 386.504 0.971 20 30 GCEDRO Cc1nnc(CNC(=[NH+]C[C@H]2CCCO2)N2CCN(c3ccccn3)CC2)n1C ZINC000261948107 1193933063 /nfs/dbraw/zinc/93/30/63/1193933063.db2.gz GMCMSVUBEXIXBA-QGZVFWFLSA-N 1 0 398.515 0.965 20 30 GCEDRO C[NH+]=C(NC[C@H](O)c1cc(OC)cc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261965296 1193933726 /nfs/dbraw/zinc/93/37/26/1193933726.db2.gz LHYLMWYTIAEQGT-INIZCTEOSA-N 1 0 399.513 0.822 20 30 GCEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261990792 1193935063 /nfs/dbraw/zinc/93/50/63/1193935063.db2.gz RFOIXVSEJKCZCU-UHFFFAOYSA-N 1 0 375.473 0.587 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N(C)C)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261996330 1193935087 /nfs/dbraw/zinc/93/50/87/1193935087.db2.gz SMRXZTYSYLYFRK-UHFFFAOYSA-N 1 0 380.514 0.973 20 30 GCEDRO CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2nccn3cnnc23)[C@H](C)C1 ZINC000261997690 1193935215 /nfs/dbraw/zinc/93/52/15/1193935215.db2.gz SWESETATSPAJSD-CYBMUJFWSA-N 1 0 397.491 0.237 20 30 GCEDRO CC(=O)N1CCN(C(NCc2cccs2)=[NH+]Cc2nnc(C)n2C)CC1 ZINC000262007362 1193935653 /nfs/dbraw/zinc/93/56/53/1193935653.db2.gz VXNDHIPPTAVZRZ-UHFFFAOYSA-N 1 0 375.502 0.995 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N[C@H]1CCc2nc(COC)nn2C1 ZINC000262005939 1193935660 /nfs/dbraw/zinc/93/56/60/1193935660.db2.gz VPMZCDMTSPRBLY-MGPUTAFESA-N 1 0 384.484 0.738 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262012713 1193935999 /nfs/dbraw/zinc/93/59/99/1193935999.db2.gz XASCCRRFXOMQBF-MJGOQNOKSA-N 1 0 389.548 0.896 20 30 GCEDRO CS(=O)(=O)Cc1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000262022011 1193936115 /nfs/dbraw/zinc/93/61/15/1193936115.db2.gz YEBSQOTYZRUBIE-UHFFFAOYSA-N 1 0 388.497 0.658 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@H]1CCc2ncnn2C1)N[C@H]1CCOc2ccccc21 ZINC000262241543 1193942619 /nfs/dbraw/zinc/94/26/19/1193942619.db2.gz ABISCTSSFZELEJ-HOCLYGCPSA-N 1 0 397.483 0.740 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262274242 1193943416 /nfs/dbraw/zinc/94/34/16/1193943416.db2.gz HLRURVSPYBBNGX-JKSUJKDBSA-N 1 0 378.477 0.006 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCCO1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000262280472 1193943846 /nfs/dbraw/zinc/94/38/46/1193943846.db2.gz IZAOVDNGTBWKLB-SJORKVTESA-N 1 0 392.504 0.396 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCCO1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262280467 1193943950 /nfs/dbraw/zinc/94/39/50/1193943950.db2.gz IZAOVDNGTBWKLB-IAGOWNOFSA-N 1 0 392.504 0.396 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262354652 1193945722 /nfs/dbraw/zinc/94/57/22/1193945722.db2.gz FREBIKXTLVAGES-JKSUJKDBSA-N 1 0 394.545 0.824 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000262354649 1193945848 /nfs/dbraw/zinc/94/58/48/1193945848.db2.gz FREBIKXTLVAGES-HZPDHXFCSA-N 1 0 394.545 0.824 20 30 GCEDRO CC[C@@H](C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262389128 1193946622 /nfs/dbraw/zinc/94/66/22/1193946622.db2.gz LTVFXPXSOKXWDR-HZPDHXFCSA-N 1 0 394.545 0.777 20 30 GCEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262418609 1193947487 /nfs/dbraw/zinc/94/74/87/1193947487.db2.gz QOMOIXUIMFJQSH-INIZCTEOSA-N 1 0 379.530 0.994 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262427201 1193947811 /nfs/dbraw/zinc/94/78/11/1193947811.db2.gz RVEDFGJOXSVAMT-AWEZNQCLSA-N 1 0 398.508 0.526 20 30 GCEDRO CCS(=O)(=O)c1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)s1 ZINC000262451641 1193948260 /nfs/dbraw/zinc/94/82/60/1193948260.db2.gz JZTAIEBPPRARDQ-UHFFFAOYSA-N 1 0 394.526 0.969 20 30 GCEDRO CCN1CCN(C(NCc2cccs2)=[NH+]C[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000262463050 1193948489 /nfs/dbraw/zinc/94/84/89/1193948489.db2.gz XVKVUZOOUGVKAR-CQSZACIVSA-N 1 0 398.554 0.793 20 30 GCEDRO C[NH+]=C(N[C@@H]1C[C@H]1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000262465700 1193948607 /nfs/dbraw/zinc/94/86/07/1193948607.db2.gz YFBODXOBKUELFB-WOJBJXKFSA-N 1 0 399.539 0.669 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CC[C@H](COC)C1 ZINC000262459225 1193948662 /nfs/dbraw/zinc/94/86/62/1193948662.db2.gz LZONHXQHOWVZEU-INIZCTEOSA-N 1 0 387.484 0.302 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCN(C(=O)[C@H]3CCCO3)CC2)c1 ZINC000262507681 1193949772 /nfs/dbraw/zinc/94/97/72/1193949772.db2.gz AOONLQALXBRCRU-GOSISDBHSA-N 1 0 397.479 0.505 20 30 GCEDRO C[NH+]=C(NCCOc1ncccc1F)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262756594 1193955018 /nfs/dbraw/zinc/95/50/18/1193955018.db2.gz BRDSFHOJZUFCST-HNNXBMFYSA-N 1 0 379.436 0.498 20 30 GCEDRO C[NH+]=C(NCC[C@](O)(c1nccn1C)C(F)(F)F)N1CCN(C(C)=O)CC1 ZINC000263114727 1193962439 /nfs/dbraw/zinc/96/24/39/1193962439.db2.gz FOVMNWMJUIFHTK-HNNXBMFYSA-N 1 0 390.410 0.300 20 30 GCEDRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708884 1194015390 /nfs/dbraw/zinc/01/53/90/1194015390.db2.gz JBFJKOGCWJVTRP-YLJYHZDGSA-N 1 0 387.459 0.732 20 30 GCEDRO C=C(C)COCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419400676 1194019118 /nfs/dbraw/zinc/01/91/18/1194019118.db2.gz LUYMTJGVCUOCRK-QZTJIDSGSA-N 1 0 375.469 0.966 20 30 GCEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000419474005 1194039472 /nfs/dbraw/zinc/03/94/72/1194039472.db2.gz MAGLIZDQKRFSJT-DLBZAZTESA-N 1 0 385.468 0.461 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000419724713 1194093540 /nfs/dbraw/zinc/09/35/40/1194093540.db2.gz FGARYPUMTYWRQP-VXLLPVPCSA-N 1 0 383.452 0.580 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000419848972 1194114233 /nfs/dbraw/zinc/11/42/33/1194114233.db2.gz XJNFPNIDHXTSOL-CYBMUJFWSA-N 1 0 398.423 0.323 20 30 GCEDRO C[NH2+]CCCNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419850319 1194114236 /nfs/dbraw/zinc/11/42/36/1194114236.db2.gz LDOITASSFBRUPZ-UHFFFAOYSA-N 1 0 380.452 0.481 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000419864515 1194126264 /nfs/dbraw/zinc/12/62/64/1194126264.db2.gz ABKFEMAGCYDHPG-HNNXBMFYSA-N 1 0 378.436 0.233 20 30 GCEDRO C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000419893034 1194135163 /nfs/dbraw/zinc/13/51/63/1194135163.db2.gz OJGMJRFRKBWRCE-MSOLQXFVSA-N 1 0 375.469 0.918 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000419896746 1194136025 /nfs/dbraw/zinc/13/60/25/1194136025.db2.gz NPCMMHDWEHHXTN-RBUKOAKNSA-N 1 0 383.496 0.979 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419905266 1194137339 /nfs/dbraw/zinc/13/73/39/1194137339.db2.gz VZDSDAZKWBYCGQ-HUUCEWRRSA-N 1 0 387.459 0.850 20 30 GCEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000419952666 1194143600 /nfs/dbraw/zinc/14/36/00/1194143600.db2.gz OXJRIEJJHCYUOL-CYBMUJFWSA-N 1 0 377.876 0.832 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000419964767 1194148688 /nfs/dbraw/zinc/14/86/88/1194148688.db2.gz GEIPJZZBOLJEIM-MJGOQNOKSA-N 1 0 383.496 0.729 20 30 GCEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419968200 1194148999 /nfs/dbraw/zinc/14/89/99/1194148999.db2.gz AMAZZXHCYHWNEL-QGZVFWFLSA-N 1 0 394.479 0.855 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)c1 ZINC000419967487 1194149624 /nfs/dbraw/zinc/14/96/24/1194149624.db2.gz OBKCXDVFJNQFPS-QGZVFWFLSA-N 1 0 384.484 0.626 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000419979899 1194151934 /nfs/dbraw/zinc/15/19/34/1194151934.db2.gz QDIQEZKEDRDVME-HNNXBMFYSA-N 1 0 387.459 0.852 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000420009752 1194157085 /nfs/dbraw/zinc/15/70/85/1194157085.db2.gz DJDBKLOPVOBUDZ-DKFLWKDZSA-N 1 0 395.463 0.492 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420011898 1194161393 /nfs/dbraw/zinc/16/13/93/1194161393.db2.gz HIKUYAXLLVIBPY-ILXRZTDVSA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420012709 1194162042 /nfs/dbraw/zinc/16/20/42/1194162042.db2.gz JCCUOYSSBGMDIT-GUYCJALGSA-N 1 0 382.486 0.044 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000420054031 1194170771 /nfs/dbraw/zinc/17/07/71/1194170771.db2.gz FFQQDBKKBFMNHM-SFHVURJKSA-N 1 0 392.463 0.609 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000420084466 1194174440 /nfs/dbraw/zinc/17/44/40/1194174440.db2.gz MQLGFMQOSZKCFR-UKRRQHHQSA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420110295 1194180913 /nfs/dbraw/zinc/18/09/13/1194180913.db2.gz FGVGHYJTBWHHSG-CJNGLKHVSA-N 1 0 389.887 0.974 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000420110296 1194181162 /nfs/dbraw/zinc/18/11/62/1194181162.db2.gz FGVGHYJTBWHHSG-CZUORRHYSA-N 1 0 389.887 0.974 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@]12c1ccccc1NC2=O ZINC000420095969 1194184118 /nfs/dbraw/zinc/18/41/18/1194184118.db2.gz ZMDHGFOLFGEHIH-FNXXIHLHSA-N 1 0 395.463 0.492 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420145012 1194193471 /nfs/dbraw/zinc/19/34/71/1194193471.db2.gz MXGZMPBVNCLBHO-LRDNONRASA-N 1 0 383.452 0.492 20 30 GCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420153221 1194194454 /nfs/dbraw/zinc/19/44/54/1194194454.db2.gz COIXSOZJAKDDFR-KSSFIOAISA-N 1 0 397.479 0.992 20 30 GCEDRO CC1(C)CCC[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000420169580 1194200153 /nfs/dbraw/zinc/20/01/53/1194200153.db2.gz RKOWEXPUPPIWGI-MRXNPFEDSA-N 1 0 384.484 0.496 20 30 GCEDRO N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000420198507 1194202224 /nfs/dbraw/zinc/20/22/24/1194202224.db2.gz CNIVYDZXIUZJLS-RCCFBDPRSA-N 1 0 381.480 0.711 20 30 GCEDRO N#Cc1cccc([C@@H]2CN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CCO2)c1 ZINC000420206484 1194205324 /nfs/dbraw/zinc/20/53/24/1194205324.db2.gz KCZMLMLAHABFCI-HCXYKTFWSA-N 1 0 382.464 0.962 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1=O ZINC000501624380 1194210407 /nfs/dbraw/zinc/21/04/07/1194210407.db2.gz NSMLVOOWWFPVKN-IRXDYDNUSA-N 1 0 376.501 0.612 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000420211858 1194213514 /nfs/dbraw/zinc/21/35/14/1194213514.db2.gz ORHFRMYMRJCIKM-VNTMZGSJSA-N 1 0 395.507 0.727 20 30 GCEDRO C[NH+]=C(NCC1(CCO)CCCC1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261822276 1194228776 /nfs/dbraw/zinc/22/87/76/1194228776.db2.gz UPSWXZJNYAKQKN-SFHVURJKSA-N 1 0 379.505 0.815 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)NCC[N@H+](C)C(C)C)c(C#N)cn1CC ZINC000421207979 1194305856 /nfs/dbraw/zinc/30/58/56/1194305856.db2.gz CTNITXXPRRKULS-UHFFFAOYSA-N 1 0 377.445 0.951 20 30 GCEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261848383 1194355882 /nfs/dbraw/zinc/35/58/82/1194355882.db2.gz XSHKCPUFPATYGB-LJQANCHMSA-N 1 0 387.440 0.801 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502867453 1194364376 /nfs/dbraw/zinc/36/43/76/1194364376.db2.gz DSRZHSGMIXVBQH-OWCLPIDISA-N 1 0 389.525 0.961 20 30 GCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC(=O)N1CCN([C@H](C#N)c2cccs2)CC1 ZINC000502867450 1194364489 /nfs/dbraw/zinc/36/44/89/1194364489.db2.gz DSRZHSGMIXVBQH-BZUAXINKSA-N 1 0 389.525 0.961 20 30 GCEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423015385 1194717279 /nfs/dbraw/zinc/71/72/79/1194717279.db2.gz KPQJEMLBHBADNW-AWEZNQCLSA-N 1 0 378.498 0.576 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000423016649 1194717732 /nfs/dbraw/zinc/71/77/32/1194717732.db2.gz UGVFYDHKRFDMBW-NRFANRHFSA-N 1 0 381.480 0.414 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000423040208 1194721429 /nfs/dbraw/zinc/72/14/29/1194721429.db2.gz SNRSIUBLIZUMRF-JOCHJYFZSA-N 1 0 395.507 0.805 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423042653 1194722040 /nfs/dbraw/zinc/72/20/40/1194722040.db2.gz ZVSMHAOINLPWMC-VQTJNVASSA-N 1 0 395.507 0.660 20 30 GCEDRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000423067093 1194723756 /nfs/dbraw/zinc/72/37/56/1194723756.db2.gz GHRXHHZQZGPSAD-UHFFFAOYSA-N 1 0 384.484 0.450 20 30 GCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000423149519 1194731188 /nfs/dbraw/zinc/73/11/88/1194731188.db2.gz XPTINNREXLRTDE-OAHLLOKOSA-N 1 0 387.459 0.804 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c1 ZINC000423153619 1194731961 /nfs/dbraw/zinc/73/19/61/1194731961.db2.gz NLWBIFOUILLSIL-IAGOWNOFSA-N 1 0 382.464 0.996 20 30 GCEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423168134 1194735030 /nfs/dbraw/zinc/73/50/30/1194735030.db2.gz GVSMIDAONHXSLU-SFHVURJKSA-N 1 0 386.496 0.716 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000423207204 1194736436 /nfs/dbraw/zinc/73/64/36/1194736436.db2.gz DBEXKQVBMNXFAH-CVEARBPZSA-N 1 0 385.443 0.414 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000423207221 1194736570 /nfs/dbraw/zinc/73/65/70/1194736570.db2.gz DDQKPUDUACEDQK-INIZCTEOSA-N 1 0 387.459 0.804 20 30 GCEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423189284 1194737961 /nfs/dbraw/zinc/73/79/61/1194737961.db2.gz OWVRLMDXHYZBDD-LJQANCHMSA-N 1 0 381.480 0.579 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)CC2)c(F)c1 ZINC000423215753 1194740768 /nfs/dbraw/zinc/74/07/68/1194740768.db2.gz OQLIHZQCKHYXNB-JZXOWHBKSA-N 1 0 399.470 0.932 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C[C@H]1C[NH3+] ZINC000423216708 1194740773 /nfs/dbraw/zinc/74/07/73/1194740773.db2.gz QOHLVOIHWLFTNO-GOEBONIOSA-N 1 0 387.459 0.789 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC4(C3)CC[NH2+]CC4)CC2)c(F)c1 ZINC000423219837 1194741217 /nfs/dbraw/zinc/74/12/17/1194741217.db2.gz WSZHAFCLUZSICG-UHFFFAOYSA-N 1 0 399.470 0.948 20 30 GCEDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000423222004 1194741372 /nfs/dbraw/zinc/74/13/72/1194741372.db2.gz ZBNJQCXMJFEIIM-UHFFFAOYSA-N 1 0 394.479 0.823 20 30 GCEDRO C=CC1CCN(C(=O)C(=O)N2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423307701 1194746078 /nfs/dbraw/zinc/74/60/78/1194746078.db2.gz NPGCCNNENYBRCP-SJORKVTESA-N 1 0 376.501 0.518 20 30 GCEDRO C=CC1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CC1 ZINC000423307697 1194746281 /nfs/dbraw/zinc/74/62/81/1194746281.db2.gz NPGCCNNENYBRCP-IRXDYDNUSA-N 1 0 376.501 0.518 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423320693 1194747546 /nfs/dbraw/zinc/74/75/46/1194747546.db2.gz DQXPJHBOTYRIKS-MTQWCTHYSA-N 1 0 395.507 0.809 20 30 GCEDRO C[C@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000423346127 1194748689 /nfs/dbraw/zinc/74/86/89/1194748689.db2.gz YKIOLCLTAKQWKO-QFBILLFUSA-N 1 0 383.496 0.809 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCN1Cc1ccccc1 ZINC000423346894 1194748945 /nfs/dbraw/zinc/74/89/45/1194748945.db2.gz ZICCKPHLBXPHBV-GHTZIAJQSA-N 1 0 381.480 0.435 20 30 GCEDRO CC(C)[NH+]1CCN(c2cccc(NC(=O)C(=O)N3CCO[C@H](C#N)C3)c2)CC1 ZINC000504061503 1194750368 /nfs/dbraw/zinc/75/03/68/1194750368.db2.gz VORYYDGMGGJXQU-GOSISDBHSA-N 1 0 385.468 0.906 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1=O ZINC000423489548 1194760608 /nfs/dbraw/zinc/76/06/08/1194760608.db2.gz GIYKMROFDZMHIH-GVDBMIGSSA-N 1 0 388.443 0.324 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1=O ZINC000423489546 1194760671 /nfs/dbraw/zinc/76/06/71/1194760671.db2.gz GIYKMROFDZMHIH-BBWFWOEESA-N 1 0 388.443 0.324 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000423533093 1194761853 /nfs/dbraw/zinc/76/18/53/1194761853.db2.gz WRNSNDHVMZBLRZ-ZCNNSNEGSA-N 1 0 395.507 0.791 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCO[C@H](C[NH3+])C3)CC2)c(Cl)c1 ZINC000423510029 1194761867 /nfs/dbraw/zinc/76/18/67/1194761867.db2.gz RWBONMRRIWYHJK-CQSZACIVSA-N 1 0 391.859 0.046 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H]([NH3+])C3)CC2)c(Cl)c1 ZINC000423510433 1194762011 /nfs/dbraw/zinc/76/20/11/1194762011.db2.gz SHDZNXAIGXKTAK-AWEZNQCLSA-N 1 0 375.860 0.810 20 30 GCEDRO CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000423538807 1194764686 /nfs/dbraw/zinc/76/46/86/1194764686.db2.gz HEPHDZBVRKAWCZ-GJZGRUSLSA-N 1 0 387.488 0.217 20 30 GCEDRO N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)CC2)cc1 ZINC000423547914 1194765448 /nfs/dbraw/zinc/76/54/48/1194765448.db2.gz BRIMUHRQJDEXLG-HXUWFJFHSA-N 1 0 393.491 0.680 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@@H](C)[NH2+]1 ZINC000423555717 1194766362 /nfs/dbraw/zinc/76/63/62/1194766362.db2.gz GGNWTQABLOVYOS-CWMDILNDSA-N 1 0 381.436 0.067 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@H]1C[NH3+] ZINC000423556358 1194766687 /nfs/dbraw/zinc/76/66/87/1194766687.db2.gz GVMGJZGSAKYMNX-MBIULKOWSA-N 1 0 395.463 0.302 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423573068 1194768776 /nfs/dbraw/zinc/76/87/76/1194768776.db2.gz YJPYCOSIPKOHCP-CMPZQBNXSA-N 1 0 397.479 0.690 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1C[C@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423573073 1194768924 /nfs/dbraw/zinc/76/89/24/1194768924.db2.gz YJPYCOSIPKOHCP-PXARDIRTSA-N 1 0 397.479 0.690 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@H]1CC[NH2+]C1 ZINC000423643641 1194777241 /nfs/dbraw/zinc/77/72/41/1194777241.db2.gz CUYWYTJHTAUQBP-IBGZPJMESA-N 1 0 383.496 0.803 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000423622158 1194778044 /nfs/dbraw/zinc/77/80/44/1194778044.db2.gz MEIFFPNKFNEUAJ-LAPQFRIASA-N 1 0 381.436 0.198 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)c1C#N ZINC000423651369 1194779334 /nfs/dbraw/zinc/77/93/34/1194779334.db2.gz MAJKIRSCTJZBIL-NWDGAFQWSA-N 1 0 376.486 0.181 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC([C@H](C)[NH3+])CC3)CC2)c1C#N ZINC000423656244 1194780421 /nfs/dbraw/zinc/78/04/21/1194780421.db2.gz CJRJZAAQUBEVPU-LBPRGKRZSA-N 1 0 390.513 0.558 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)c(F)c1 ZINC000423673438 1194784139 /nfs/dbraw/zinc/78/41/39/1194784139.db2.gz BRWDWCXSUOCCNG-GASCZTMLSA-N 1 0 386.427 0.745 20 30 GCEDRO CCCN(C(=O)C(=O)N1CC[C@@H](Oc2ccc(C#N)cn2)C1)C1CC[NH2+]CC1 ZINC000423690908 1194786261 /nfs/dbraw/zinc/78/62/61/1194786261.db2.gz ALOTYIIRLZIDCC-QGZVFWFLSA-N 1 0 385.468 0.924 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@@H]([C@H](C)[NH3+])C3)CC2)c1C#N ZINC000423725046 1194789253 /nfs/dbraw/zinc/78/92/53/1194789253.db2.gz HHSNQEUIATWYEZ-GXTWGEPZSA-N 1 0 390.513 0.558 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H]4CC[NH2+]C[C@H]4C3)CC2)c1C#N ZINC000423728355 1194790254 /nfs/dbraw/zinc/79/02/54/1194790254.db2.gz LUVVUFUZPSUMAU-KGLIPLIRSA-N 1 0 388.497 0.040 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000423740550 1194790888 /nfs/dbraw/zinc/79/08/88/1194790888.db2.gz JEAYPDOYWWFLBK-INIZCTEOSA-N 1 0 387.459 0.946 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000423746844 1194791585 /nfs/dbraw/zinc/79/15/85/1194791585.db2.gz PQWRDWQATJGJFS-RBUKOAKNSA-N 1 0 383.496 0.823 20 30 GCEDRO CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1 ZINC000423734086 1194792142 /nfs/dbraw/zinc/79/21/42/1194792142.db2.gz CNPMXQDPEVXJCL-HNNXBMFYSA-N 1 0 387.459 0.946 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000424058722 1194801039 /nfs/dbraw/zinc/80/10/39/1194801039.db2.gz ADVGSRZUIKKKAE-AWEZNQCLSA-N 1 0 386.424 0.819 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000424081513 1194801141 /nfs/dbraw/zinc/80/11/41/1194801141.db2.gz VHUZFRKCNOKSJQ-CQSZACIVSA-N 1 0 384.433 0.806 20 30 GCEDRO COc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000424079960 1194801234 /nfs/dbraw/zinc/80/12/34/1194801234.db2.gz RVGOQDVYNFLUAZ-AWEZNQCLSA-N 1 0 396.469 0.676 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000424083909 1194801890 /nfs/dbraw/zinc/80/18/90/1194801890.db2.gz XTCSQPIJJDWTJI-CYBMUJFWSA-N 1 0 395.441 0.449 20 30 GCEDRO CCC(CC)(NC(=O)C1C[NH+](C[C@@H](O)COc2ccc(C#N)cc2)C1)C(N)=O ZINC000504664643 1194803059 /nfs/dbraw/zinc/80/30/59/1194803059.db2.gz ATZRVSKRUPTMHR-MRXNPFEDSA-N 1 0 388.468 0.390 20 30 GCEDRO CN(C)c1nc(N)nc(COc2cccc(NC(=O)[C@@H]([NH3+])CCCC#N)c2)n1 ZINC000424127542 1194803530 /nfs/dbraw/zinc/80/35/30/1194803530.db2.gz AZYSPDZGJXUAQS-AWEZNQCLSA-N 1 0 384.444 1.058 20 30 GCEDRO Cc1cc(NC(=O)C(=O)NCc2ccnc(OCC[NH+](C)C)c2)nn1CCC#N ZINC000504853920 1194808163 /nfs/dbraw/zinc/80/81/63/1194808163.db2.gz SWCSYGASJKMBTK-UHFFFAOYSA-N 1 0 399.455 0.696 20 30 GCEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1 ZINC000424386256 1194810203 /nfs/dbraw/zinc/81/02/03/1194810203.db2.gz FBOGMFBCPCZTJA-DLBZAZTESA-N 1 0 389.481 0.451 20 30 GCEDRO C=CCOc1ccccc1CNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424500490 1194818460 /nfs/dbraw/zinc/81/84/60/1194818460.db2.gz CTYRQKVLSJZEAD-DLBZAZTESA-N 1 0 383.452 0.554 20 30 GCEDRO C=CCN(Cc1ccc(OC)cc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424549664 1194823881 /nfs/dbraw/zinc/82/38/81/1194823881.db2.gz RYTOXJUZUGRBJB-RBUKOAKNSA-N 1 0 397.479 0.897 20 30 GCEDRO C=CCN1C(=O)c2ccc(C(=O)N3CCCC[C@@H]3CNC(=O)CC[NH3+])cc2C1=O ZINC000434707181 1194861321 /nfs/dbraw/zinc/86/13/21/1194861321.db2.gz NRHSYYWBADDXGF-OAHLLOKOSA-N 1 0 398.463 0.928 20 30 GCEDRO C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCC3(CN(C(=O)CCS)C3)O2)cn1 ZINC001269874134 1194875328 /nfs/dbraw/zinc/87/53/28/1194875328.db2.gz QUVJFMOAXIZQBY-AWEZNQCLSA-N 1 0 381.502 0.463 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)CC1=O ZINC000425324331 1194914592 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C[C@@H](CC(c1ccccc1)c1ccccc1)[NH2+][C@@H](C=O)[C@@H](O)[C@H](O)[C@H](O)CO ZINC001173204411 1205719034 /nfs/dbraw/zinc/71/90/34/1205719034.db2.gz HKQYFSMNODVUJQ-AAZWCJRRSA-N 1 0 387.476 0.829 20 30 GCEDRO CS(=O)(=O)N1CC[C@@H]([NH2+]C2CCN(C(=O)c3ccc(C#N)cc3)CC2)C1 ZINC001173425164 1205720615 /nfs/dbraw/zinc/72/06/15/1205720615.db2.gz PELZELCUXYQMMJ-QGZVFWFLSA-N 1 0 376.482 0.786 20 30 GCEDRO Cn1cc(C(=O)NC[C@@H]2CCC[N@@H+]2C[C@H](O)CC2(C#N)CCOCC2)cn1 ZINC001175202157 1205735667 /nfs/dbraw/zinc/73/56/67/1205735667.db2.gz CPSLHCFUFQEUBU-DLBZAZTESA-N 1 0 375.473 0.686 20 30 GCEDRO Cn1nnc2c1CCN(C(=O)C#Cc1cccnc1)[C@@H]2COCC[NH+]1CCCC1 ZINC001177777723 1205775355 /nfs/dbraw/zinc/77/53/55/1205775355.db2.gz SIPUTTGLSQGVIQ-LJQANCHMSA-N 1 0 394.479 0.800 20 30 GCEDRO CN(C)c1cc[nH+]c(CNC(=O)CC/N=C2/NS(=O)(=O)c3ccccc32)c1 ZINC001177954018 1205780062 /nfs/dbraw/zinc/78/00/62/1205780062.db2.gz YFKGJOZXRNMTQA-UHFFFAOYSA-N 1 0 387.465 0.893 20 30 GCEDRO C=C(C)C(=O)NCCCNC(=O)C1CC[NH+](C2CCN(C(C)=O)CC2)CC1 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/nfs/dbraw/zinc/87/41/70/1205874170.db2.gz BHQPVVXUKCIISP-UHFFFAOYSA-N 1 0 379.486 0.918 20 30 GCEDRO N#C[C@H](NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccccc1)C(N)=O ZINC001182541133 1205876332 /nfs/dbraw/zinc/87/63/32/1205876332.db2.gz ALLBKYPPYZFLNE-PMACEKPBSA-N 1 0 391.475 0.867 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001183042976 1205885644 /nfs/dbraw/zinc/88/56/44/1205885644.db2.gz IODLIDWVXXKHHU-UHFFFAOYSA-N 1 0 384.440 0.795 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CC[C@H]2O[C@@H](COCC(=O)N(C)C)CC[C@H]21 ZINC001183043022 1205885763 /nfs/dbraw/zinc/88/57/63/1205885763.db2.gz JYQAHFXXQYLGBM-KZNAEPCWSA-N 1 0 379.501 0.892 20 30 GCEDRO C=CCSCC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CCN(C)C)C[C@H]12 ZINC001273479528 1205889093 /nfs/dbraw/zinc/88/90/93/1205889093.db2.gz LRNKIDGSZWNWLG-HZPDHXFCSA-N 1 0 380.558 0.506 20 30 GCEDRO N#Cc1ccccc1CN1CCCC[C@H]1C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001183832993 1205901177 /nfs/dbraw/zinc/90/11/77/1205901177.db2.gz 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387.484 0.393 20 30 GCEDRO C[NH+](C)CC#CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 ZINC001187271695 1205958868 /nfs/dbraw/zinc/95/88/68/1205958868.db2.gz PVGODCRTHWBXSH-UHFFFAOYSA-N 1 0 382.442 0.593 20 30 GCEDRO N#Cc1ccc(CN(C(=O)CNC(=O)[C@@H]2CCC(=O)N2)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001187526026 1205964609 /nfs/dbraw/zinc/96/46/09/1205964609.db2.gz LDUABQUCHRQBOJ-BZSNNMDCSA-N 1 0 397.479 0.552 20 30 GCEDRO C=C(C)CN(CC)C(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H](C)CC(=O)N3)[C@@H]2C1 ZINC001187958334 1205972010 /nfs/dbraw/zinc/97/20/10/1205972010.db2.gz REJBVMNTVKRLAD-XMTFNYHQSA-N 1 0 390.528 0.858 20 30 GCEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3O4)[C@@H]2C1 ZINC001189175197 1205999623 /nfs/dbraw/zinc/99/96/23/1205999623.db2.gz REYHGJFJDPTBIU-GCSSGZNBSA-N 1 0 376.457 0.098 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]2CN(CC(=O)NC(=O)NCCCC)C[C@H]21 ZINC001189174912 1205999778 /nfs/dbraw/zinc/99/97/78/1205999778.db2.gz NXAPMLYRSKVOGC-HZMVEIRTSA-N 1 0 392.500 0.736 20 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C#CCC[NH+]1CCC2(CN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)[C@@H]3COC[C@@H]32)CC1 ZINC001573282720 946698024 /nfs/dbraw/zinc/69/80/24/946698024.db2.gz NIWBSUXXVQKEIU-WMLDXEAASA-N 1 0 395.467 0.771 20 30 GCEDRO C#CCCCCCC(=O)N1CCO[C@H](CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573283044 946705780 /nfs/dbraw/zinc/70/57/80/946705780.db2.gz RBKYBIAKFIODNK-OAHLLOKOSA-N 1 0 383.456 0.907 20 30 GCEDRO C#CCCCCC(=O)NC1(CNc2cc[nH+]cc2-c2nn[nH]n2)CCOCC1 ZINC001573283332 946713132 /nfs/dbraw/zinc/71/31/32/946713132.db2.gz HGIVTLBFKLYRIT-UHFFFAOYSA-N 1 0 383.456 0.955 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NCCN(CC)c2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573283849 946728468 /nfs/dbraw/zinc/72/84/68/946728468.db2.gz WHMOYNSHXMDGAO-UHFFFAOYSA-N 1 0 382.472 0.549 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573286527 946810952 /nfs/dbraw/zinc/81/09/52/946810952.db2.gz CZXHEHOYPLQNLD-ZYIUAKIQSA-N 1 0 384.415 0.591 20 30 GCEDRO C#CCOCCC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573286694 946818162 /nfs/dbraw/zinc/81/81/62/946818162.db2.gz HRKHVTBUBTTXFF-CXAGYDPISA-N 1 0 386.431 0.982 20 30 GCEDRO C#CCOCCC(=O)N1CCC(CNc2cc(C)[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573286986 946824219 /nfs/dbraw/zinc/82/42/19/946824219.db2.gz JVAGVRJWZWXOML-UHFFFAOYSA-N 1 0 383.456 0.682 20 30 GCEDRO C#CCOCCC(=O)N1CC[C@@H](CCNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573287229 946832229 /nfs/dbraw/zinc/83/22/29/946832229.db2.gz MJXDYHRHWCLCGJ-OAHLLOKOSA-N 1 0 383.456 0.682 20 30 GCEDRO C#Cc1cncc(C(=O)N[C@H]2C[C@H](CNc3cc(C)[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573291815 946925120 /nfs/dbraw/zinc/92/51/20/946925120.db2.gz JQEGFHXVXOBBSE-KOMQPUFPSA-N 1 0 388.435 0.989 20 30 GCEDRO C=C(C)CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(-c4nn[nH]n4)[nH]3)C2)CC1 ZINC001573294183 946980842 /nfs/dbraw/zinc/98/08/42/946980842.db2.gz XPFXWRDGGBCUCO-HNNXBMFYSA-N 1 0 384.488 0.993 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573565499 947007486 /nfs/dbraw/zinc/00/74/86/947007486.db2.gz RKAPBLSCSOODEQ-GFCCVEGCSA-N 1 0 389.485 0.873 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001573565947 947018988 /nfs/dbraw/zinc/01/89/88/947018988.db2.gz XHUVKETVHCSBFV-LBPRGKRZSA-N 1 0 387.419 0.609 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568081 947065026 /nfs/dbraw/zinc/06/50/26/947065026.db2.gz XGZAVHMSLVUXQT-JSGCOSHPSA-N 1 0 387.419 0.873 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCCO[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001573568080 947066452 /nfs/dbraw/zinc/06/64/52/947066452.db2.gz XGZAVHMSLVUXQT-GXTWGEPZSA-N 1 0 387.419 0.873 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573568242 947070864 /nfs/dbraw/zinc/07/08/64/947070864.db2.gz ZWXMCEUTDCNCOO-WMLDXEAASA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(CO)CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001573572037 947106628 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20 30 GCEDRO C=CCn1cc(C(=O)NCC[N@@H+](CC)Cc2ccccc2-c2nn[nH]n2)nn1 ZINC001573351315 947613433 /nfs/dbraw/zinc/61/34/33/947613433.db2.gz QIHOIZOLYFDEOO-UHFFFAOYSA-N 1 0 381.444 0.896 20 30 GCEDRO C=CCn1cc(C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573351516 947615052 /nfs/dbraw/zinc/61/50/52/947615052.db2.gz RKYDRDGYWSGOQG-ZDUSSCGKSA-N 1 0 381.444 0.942 20 30 GCEDRO Cc1cc(N[C@@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571126931 952548038 /nfs/dbraw/zinc/54/80/38/952548038.db2.gz ABRBLPJATHYGSH-QLJPJBMISA-N 1 0 377.412 0.764 20 30 GCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000571396457 530118520 /nfs/dbraw/zinc/11/85/20/530118520.db2.gz DPDOGNDCRZULPU-OAHLLOKOSA-N 1 0 383.290 0.975 20 30 GCEDRO C[NH+](C)C[C@](C)(O)CNS(=O)(=O)c1cccc(Br)c1C#N ZINC000283655669 530207661 /nfs/dbraw/zinc/20/76/61/530207661.db2.gz YUCIDTOKFOBMOJ-CYBMUJFWSA-N 1 0 376.276 0.912 20 30 GCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000560583178 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392.547 0.096 20 30 GCEDRO Cc1c2cc(C#N)ccc2sc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000595106869 530443982 /nfs/dbraw/zinc/44/39/82/530443982.db2.gz YRKTXCKEXVZRBB-UHFFFAOYSA-N 1 0 378.479 0.792 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH2+]CC2)cc1Br ZINC000584839052 530518204 /nfs/dbraw/zinc/51/82/04/530518204.db2.gz REWZHBZWSVISGK-UHFFFAOYSA-N 1 0 387.259 0.031 20 30 GCEDRO COCC[NH+]1CCC(NC(=O)N2CCC(N(C)S(C)(=O)=O)CC2)CC1 ZINC000330440549 530520640 /nfs/dbraw/zinc/52/06/40/530520640.db2.gz OSLLLDXZGJZOPN-UHFFFAOYSA-N 1 0 376.523 0.367 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000573565124 530524764 /nfs/dbraw/zinc/52/47/64/530524764.db2.gz UBGXKBQSHYLEKK-ZDUSSCGKSA-N 1 0 399.314 0.989 20 30 GCEDRO CCN(C1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1)S(C)(=O)=O ZINC000330842321 530531283 /nfs/dbraw/zinc/53/12/83/530531283.db2.gz NNPMHGJZWATDAS-AWEZNQCLSA-N 1 0 376.523 0.367 20 30 GCEDRO CCN(C1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1)S(C)(=O)=O ZINC000330842322 530531696 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CN(C[C@@H]1CCCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1)S(C)(=O)=O ZINC000329231061 530608722 /nfs/dbraw/zinc/60/87/22/530608722.db2.gz KJEFVGKBDURSTF-HOCLYGCPSA-N 1 0 392.591 0.941 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000574150679 530587584 /nfs/dbraw/zinc/58/75/84/530587584.db2.gz HDVVFASUSZLMNM-GJZGRUSLSA-N 1 0 386.543 0.555 20 30 GCEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 ZINC000349444540 530635326 /nfs/dbraw/zinc/63/53/26/530635326.db2.gz AIEQAJNXJKCFCR-CYBMUJFWSA-N 1 0 386.499 0.061 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)N(C)CC[NH+](C)C ZINC000349446697 530636010 /nfs/dbraw/zinc/63/60/10/530636010.db2.gz ADOLRESDAGJFLW-ZDUSSCGKSA-N 1 0 388.515 0.401 20 30 GCEDRO CC[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC[N@@H+]1CCOC ZINC000329677934 530618733 /nfs/dbraw/zinc/61/87/33/530618733.db2.gz WUQKBACHNKDLMY-HUUCEWRRSA-N 1 0 376.523 0.367 20 30 GCEDRO C[NH+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(CC#N)C2CC2)cc1 ZINC000563977051 530688116 /nfs/dbraw/zinc/68/81/16/530688116.db2.gz YSUUQAQZLDEUJO-UHFFFAOYSA-N 1 0 386.499 0.203 20 30 GCEDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1ccc(C#N)c(Br)c1 ZINC000592983059 530789015 /nfs/dbraw/zinc/78/90/15/530789015.db2.gz VHIBWBWAYFGSTM-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO CN(CCN1CC[NH2+]CC1)S(=O)(=O)c1cccc(Br)c1C#N ZINC000592982841 530789560 /nfs/dbraw/zinc/78/95/60/530789560.db2.gz IZCWSSYQNPDIPJ-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000516181780 530831934 /nfs/dbraw/zinc/83/19/34/530831934.db2.gz VWUINGBBMLEZTO-GFCCVEGCSA-N 1 0 399.314 0.989 20 30 GCEDRO C[NH+](C)[C@@]1(CNC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CCSC1 ZINC000555057318 530904781 /nfs/dbraw/zinc/90/47/81/530904781.db2.gz ZHSLSIRQKXBQBW-MRXNPFEDSA-N 1 0 382.511 0.390 20 30 GCEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCCS(=O)(=O)N(C)CC#N ZINC000349485557 530878896 /nfs/dbraw/zinc/87/88/96/530878896.db2.gz UTPJSEVPUQCZKU-LSDHHAIUSA-N 1 0 392.547 0.050 20 30 GCEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CNS(=O)(=O)CCOCC)C(C)C ZINC000268287826 531005006 /nfs/dbraw/zinc/00/50/06/531005006.db2.gz YOJKQLWLISTCQD-MRXNPFEDSA-N 1 0 375.535 0.757 20 30 GCEDRO N#C[C@@H]1CN(S(=O)(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCO1 ZINC000548833073 531123484 /nfs/dbraw/zinc/12/34/84/531123484.db2.gz UPGKWDHPPLLGTF-OAHLLOKOSA-N 1 0 388.559 0.797 20 30 GCEDRO CC(C)(C#N)NS(=O)(=O)CCCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000565228021 531180695 /nfs/dbraw/zinc/18/06/95/531180695.db2.gz BVBSRDCCWJATLI-AWEZNQCLSA-N 1 0 392.547 0.098 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N2CCN(c3ccc(-c4nn[nH]n4)cn3)CC2)CC1 ZINC000735425760 598391953 /nfs/dbraw/zinc/39/19/53/598391953.db2.gz FRLDTZAQDIOYPJ-UHFFFAOYSA-N 1 0 397.487 0.744 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CCN(c3nccnc3-c3nn[nH]n3)C[C@H]2C)CC1 ZINC000819701782 606830771 /nfs/dbraw/zinc/83/07/71/606830771.db2.gz MQKZYACQODVADI-CQSZACIVSA-N 1 0 395.471 0.039 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)COc2ccccc2-c2nn[nH]n2)c1C#N ZINC000826077825 608021619 /nfs/dbraw/zinc/02/16/19/608021619.db2.gz XCKBAMQBBMGSTJ-UHFFFAOYSA-N 1 0 381.400 0.631 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1C#N)CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000825937687 608035989 /nfs/dbraw/zinc/03/59/89/608035989.db2.gz HVCGIWCUQJKAOQ-UHFFFAOYSA-N 1 0 394.443 0.937 20 30 GCEDRO C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000825934685 608035998 /nfs/dbraw/zinc/03/59/98/608035998.db2.gz PTGDOLLVACQPAR-CQSZACIVSA-N 1 0 380.416 0.135 20 30 GCEDRO COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000826175654 608036540 /nfs/dbraw/zinc/03/65/40/608036540.db2.gz LZROPSFOQVREGE-UHFFFAOYSA-N 1 0 397.443 0.996 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(=O)(=O)C(F)F)CC1)NC[C@]1(C)CCCO1 ZINC000261845567 638687759 /nfs/dbraw/zinc/68/77/59/638687759.db2.gz XDPIHUXNPZTSNE-HNNXBMFYSA-N 1 0 382.477 0.985 20 30 GCEDRO C=C(C)CNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCC[C@H](S(C)(=O)=O)C1 ZINC000262451254 639082187 /nfs/dbraw/zinc/08/21/87/639082187.db2.gz 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377.511 0.183 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccn2c(I)cnc12 ZINC000834480188 642213003 /nfs/dbraw/zinc/21/30/03/642213003.db2.gz MHVGCVJYUAPNNX-SCZZXKLOSA-N 1 0 381.177 0.780 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000834495716 642213620 /nfs/dbraw/zinc/21/36/20/642213620.db2.gz YJXZFPIBHXBPRK-SKDRFNHKSA-N 1 0 376.360 0.211 20 30 GCEDRO C#CCC[C@@H](O)C[NH2+]CCS(=O)(=O)c1ccccc1S(=O)(=O)N(C)C ZINC000843102168 642364277 /nfs/dbraw/zinc/36/42/77/642364277.db2.gz VETHLAPZQFCGTR-CQSZACIVSA-N 1 0 388.511 0.075 20 30 GCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000843461087 642369979 /nfs/dbraw/zinc/36/99/79/642369979.db2.gz SCIIWXMWLFDJQM-KCJUWKMLSA-N 1 0 377.253 0.499 20 30 GCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21 ZINC000843460817 642370109 /nfs/dbraw/zinc/37/01/09/642370109.db2.gz QRCRABBTHSNTSN-QWRGUYRKSA-N 1 0 377.451 0.139 20 30 GCEDRO 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N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000418792839 1192645801 /nfs/dbraw/zinc/64/58/01/1192645801.db2.gz PELJFAVUAFRGGP-JKSUJKDBSA-N 1 0 391.497 0.702 20 30 GCEDRO C[C@@H]1[C@H](C(=O)N[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000982315980 1192652364 /nfs/dbraw/zinc/65/23/64/1192652364.db2.gz DGHJDNGUXDCRLL-DQEVTTJGSA-N 1 0 383.496 0.584 20 30 GCEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418852703 1192666315 /nfs/dbraw/zinc/66/63/15/1192666315.db2.gz IAMXPHUPIIMRDQ-GOEBONIOSA-N 1 0 375.448 0.882 20 30 GCEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000418851601 1192666362 /nfs/dbraw/zinc/66/63/62/1192666362.db2.gz FVCVKIKHLJTSTI-HOTGVXAUSA-N 1 0 387.459 0.850 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418853740 1192666811 /nfs/dbraw/zinc/66/68/11/1192666811.db2.gz KFHXOYOTECALOR-JKSUJKDBSA-N 1 0 387.459 0.993 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)C2)c(F)c1 ZINC000418857264 1192668038 /nfs/dbraw/zinc/66/80/38/1192668038.db2.gz RMKKFFUYQHPBDO-BBWFWOEESA-N 1 0 399.470 0.850 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418855910 1192668115 /nfs/dbraw/zinc/66/81/15/1192668115.db2.gz NPSDQUSXBGKVSB-FRFSOERESA-N 1 0 387.459 0.897 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000418855697 1192668343 /nfs/dbraw/zinc/66/83/43/1192668343.db2.gz NHTXZWNNFNBTJI-HOCLYGCPSA-N 1 0 387.459 0.898 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)c(F)c1 ZINC000418854812 1192668711 /nfs/dbraw/zinc/66/87/11/1192668711.db2.gz LNUYZXUVTSQAEF-OWCLPIDISA-N 1 0 385.443 0.460 20 30 GCEDRO C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2F)C1 ZINC000418858200 1192668759 /nfs/dbraw/zinc/66/87/59/1192668759.db2.gz VCGFXAKUGFWFMO-HNNXBMFYSA-N 1 0 375.448 0.850 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)NC[C@H]3CCC[NH2+]C3)C2)c(F)c1 ZINC000418858933 1192670219 /nfs/dbraw/zinc/67/02/19/1192670219.db2.gz WVNFZGDEGAIIIX-JKSUJKDBSA-N 1 0 387.459 0.898 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3F)C2)C[C@@H](C)[NH2+]1 ZINC000418857630 1192670283 /nfs/dbraw/zinc/67/02/83/1192670283.db2.gz SMLULZAFIUXKQJ-FMKPAKJESA-N 1 0 387.459 0.991 20 30 GCEDRO C[NH2+]C1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)CC1 ZINC000418857373 1192670411 /nfs/dbraw/zinc/67/04/11/1192670411.db2.gz RQWSBMXKUIYCGU-MRXNPFEDSA-N 1 0 387.459 0.993 20 30 GCEDRO N#Cc1ccc(CNC(=O)C(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1F ZINC000418889130 1192677190 /nfs/dbraw/zinc/67/71/90/1192677190.db2.gz PSLXFALDOCOZEK-WBVHZDCISA-N 1 0 386.427 0.541 20 30 GCEDRO CC1(CNC(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)CC[NH2+]CC1 ZINC000418900342 1192682677 /nfs/dbraw/zinc/68/26/77/1192682677.db2.gz CXODIYNWSLGOBR-KRWDZBQOSA-N 1 0 397.479 0.676 20 30 GCEDRO C[NH2+]C[C@H]1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000418900093 1192682684 /nfs/dbraw/zinc/68/26/84/1192682684.db2.gz CMJNVMOJAWRPNB-WBVHZDCISA-N 1 0 383.452 0.238 20 30 GCEDRO CCCN(C(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CC[NH2+]C1 ZINC000418911701 1192684532 /nfs/dbraw/zinc/68/45/32/1192684532.db2.gz QOYJOUHLSNKGJR-ZWKOTPCHSA-N 1 0 397.479 0.770 20 30 GCEDRO C[C@H](NC(=O)C(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000418910584 1192687432 /nfs/dbraw/zinc/68/74/32/1192687432.db2.gz OXFYAHNTXRUGMC-QILLFSRXSA-N 1 0 397.479 0.674 20 30 GCEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418916046 1192688162 /nfs/dbraw/zinc/68/81/62/1192688162.db2.gz VYKLIVLEHDVRBC-RDJZCZTQSA-N 1 0 385.468 0.804 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000418913726 1192690193 /nfs/dbraw/zinc/69/01/93/1192690193.db2.gz STIDJPQWWBKWPU-WBVHZDCISA-N 1 0 385.468 0.659 20 30 GCEDRO N#Cc1ccccc1CSCCNC(=O)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418912718 1192689363 /nfs/dbraw/zinc/68/93/63/1192689363.db2.gz DKYLQOXYOIPEOM-INIZCTEOSA-N 1 0 376.482 0.402 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCCN(c3ccc(C#N)cc3)C2=O)[C@H]1C[NH3+] ZINC000418913660 1192690391 /nfs/dbraw/zinc/69/03/91/1192690391.db2.gz SQAAHSMWEGXVNZ-JLSDUUJJSA-N 1 0 397.479 0.756 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)cc1 ZINC000418918661 1192691079 /nfs/dbraw/zinc/69/10/79/1192691079.db2.gz ZRLWEBKABAZWNI-LAUBAEHRSA-N 1 0 395.463 0.382 20 30 GCEDRO N#Cc1ccccc1CSCCNC(=O)C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000418925987 1192693342 /nfs/dbraw/zinc/69/33/42/1192693342.db2.gz QYICDYSQXIAJFL-MRXNPFEDSA-N 1 0 376.482 0.484 20 30 GCEDRO CCCN(C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O)[C@@H]1CC[NH2+]C1 ZINC000418962691 1192703152 /nfs/dbraw/zinc/70/31/52/1192703152.db2.gz LIVOOQWLLNEBHW-QZTJIDSGSA-N 1 0 397.479 0.376 20 30 GCEDRO 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/nfs/dbraw/zinc/00/12/26/1185001226.db2.gz PKHCHNZGBZYJNB-UHFFFAOYSA-N 1 0 388.443 0.880 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](O)C1 ZINC000970792682 1185028434 /nfs/dbraw/zinc/02/84/34/1185028434.db2.gz ZKOGAPZFTDAQHR-YRXWBPOGSA-N 1 0 391.512 0.387 20 30 GCEDRO COCC[NH2+]CCCNC(=O)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000275832513 1185169140 /nfs/dbraw/zinc/16/91/40/1185169140.db2.gz DPBOFESULYYLAR-UHFFFAOYSA-N 1 0 378.429 0.264 20 30 GCEDRO COc1cc(C#N)ccc1S(=O)(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000261712474 1185243563 /nfs/dbraw/zinc/24/35/63/1185243563.db2.gz PUAFMAHVFKEHJX-CQSZACIVSA-N 1 0 392.403 0.681 20 30 GCEDRO CN(C)C(=O)Cc1ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc1 ZINC000275895656 1185249004 /nfs/dbraw/zinc/24/90/04/1185249004.db2.gz QEOXEWDDQWLEMR-UHFFFAOYSA-N 1 0 387.484 0.950 20 30 GCEDRO COc1ncnc(N(C)C)c1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000275921304 1185280471 /nfs/dbraw/zinc/28/04/71/1185280471.db2.gz ULASSJWDHUYJJA-UHFFFAOYSA-N 1 0 377.449 0.184 20 30 GCEDRO C[NH+]=C(NCc1cn(C)nc1C(F)(F)F)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155809542 1185294989 /nfs/dbraw/zinc/29/49/89/1185294989.db2.gz WOCITKCGTQCCJE-UHFFFAOYSA-N 1 0 398.393 0.597 20 30 GCEDRO C=C(C)[C@H](NC(=O)C(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1)c1ccc(F)c(F)c1 ZINC000580660606 1185300569 /nfs/dbraw/zinc/30/05/69/1185300569.db2.gz RYYBTQYDFIHRBL-RCBQFDQVSA-N 1 0 392.406 0.469 20 30 GCEDRO C=CCN(C(=O)CCNC(=O)[C@H]1CCC[NH2+]1)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000580774785 1185354159 /nfs/dbraw/zinc/35/41/59/1185354159.db2.gz SHVAUWHHYQHJGO-MAUKXSAKSA-N 1 0 397.483 0.996 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261696760 1185376748 /nfs/dbraw/zinc/37/67/48/1185376748.db2.gz FQUZVCOVKVZBNI-QCUYGVNKSA-N 1 0 389.500 0.830 20 30 GCEDRO C[NH+]=C(NCc1nccn1C(F)F)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261705406 1185377585 /nfs/dbraw/zinc/37/75/85/1185377585.db2.gz GQUSZSNWZCCMDR-MRXNPFEDSA-N 1 0 383.403 0.664 20 30 GCEDRO C[NH+]=C(NCc1ccc(N2CCCC2)nc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000155848276 1185379692 /nfs/dbraw/zinc/37/96/92/1185379692.db2.gz AEAQOJMWGBGWIJ-UHFFFAOYSA-N 1 0 396.499 0.840 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCC(Oc3ncc(C)cn3)CC2)CC1 ZINC000656312282 1185392170 /nfs/dbraw/zinc/39/21/70/1185392170.db2.gz UABNDTHHHCDPMB-UHFFFAOYSA-N 1 0 387.484 0.921 20 30 GCEDRO C=CCCn1cc(C(=O)N2CC[C@H]3CN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)C[C@H]32)nn1 ZINC001021781991 1185507059 /nfs/dbraw/zinc/50/70/59/1185507059.db2.gz MQDWYADXOUNLER-KYHPRHEASA-N 1 0 386.500 0.867 20 30 GCEDRO N#Cc1ccc(N2CCC[C@H](NC(=O)C(=O)N3CCC[C@@H](C[NH3+])C3)C2=O)cc1 ZINC000581181213 1185525761 /nfs/dbraw/zinc/52/57/61/1185525761.db2.gz DGTLESXQZISODM-RDJZCZTQSA-N 1 0 383.452 0.367 20 30 GCEDRO C[NH+](C)[C@@H](CNC(=O)CN1C[C@@H]2CS(=O)(=O)C[C@@]2(C#N)C1)c1ccccc1 ZINC000933113644 1185543774 /nfs/dbraw/zinc/54/37/74/1185543774.db2.gz YNPMUAKNVVMSRU-ZIFCJYIRSA-N 1 0 390.509 0.276 20 30 GCEDRO 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/nfs/dbraw/zinc/27/18/78/1186271878.db2.gz RSKPTUGSXJULSO-AITUJVMLSA-N 1 0 391.512 0.748 20 30 GCEDRO COCC[N@H+](C)CCCNC(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000277236768 1186301258 /nfs/dbraw/zinc/30/12/58/1186301258.db2.gz OQMISGAHVFQYQP-SFHVURJKSA-N 1 0 387.484 0.927 20 30 GCEDRO N#Cc1ncn(CC(=O)N2CCC[C@@H](C[NH+]3CCN(c4ccccn4)CC3)C2)n1 ZINC000426402727 1186334072 /nfs/dbraw/zinc/33/40/72/1186334072.db2.gz CUWGDXJZQLJGSL-KRWDZBQOSA-N 1 0 394.483 0.606 20 30 GCEDRO C[NH+](C)C1CN(C(=O)C2CCN(S(=O)(=O)c3ccc(C#N)cc3)CC2)C1 ZINC000134907658 1186337646 /nfs/dbraw/zinc/33/76/46/1186337646.db2.gz QGUYULAKUMWBSH-UHFFFAOYSA-N 1 0 376.482 0.731 20 30 GCEDRO COCCN1C(=O)C[C@@H](CNC(=[NH2+])N[C@@H](C)COC)[C@@H]1c1cnn(C)c1C ZINC000277476034 1186411802 /nfs/dbraw/zinc/41/18/02/1186411802.db2.gz TWCKPGFLEHQJCC-RVSPLBMKSA-N 1 0 380.493 0.204 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+]CCc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001267096471 1186448704 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ZINC000566447612 1189634116 /nfs/dbraw/zinc/63/41/16/1189634116.db2.gz NUQXIKISHPBVGD-NRFANRHFSA-N 1 0 393.447 0.953 20 30 GCEDRO C=CCn1c(-c2ncccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000417471509 1189670513 /nfs/dbraw/zinc/67/05/13/1189670513.db2.gz VECPWZHMSBLBIH-OAHLLOKOSA-N 1 0 382.472 0.664 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000584834002 1189684627 /nfs/dbraw/zinc/68/46/27/1189684627.db2.gz GXWYOPZRDACTHP-YXJHDRRASA-N 1 0 399.470 0.932 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCCC(=O)N3CCOCC3)=[NH+]C[C@H]2C1 ZINC000364358242 1189765213 /nfs/dbraw/zinc/76/52/13/1189765213.db2.gz KLSMMTTWYSZHOL-AWEZNQCLSA-N 1 0 381.477 0.116 20 30 GCEDRO C=C(C)CC[NH2+]Cc1cn(C2CN(C(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)C2)nn1 ZINC001105289413 1189769004 /nfs/dbraw/zinc/76/90/04/1189769004.db2.gz CAUFDNDSYPFISB-JCGIZDLHSA-N 1 0 375.473 0.769 20 30 GCEDRO CC[NH+](CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(C#N)c2C)CC1 ZINC000431988225 1189828484 /nfs/dbraw/zinc/82/84/84/1189828484.db2.gz WDZRRJXDHIZJNF-UHFFFAOYSA-N 1 0 385.468 0.818 20 30 GCEDRO CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000124388714 1189907732 /nfs/dbraw/zinc/90/77/32/1189907732.db2.gz SHKIEGAMGBIALE-UHFFFAOYSA-N 1 0 381.440 0.691 20 30 GCEDRO C[NH+](C)CCCN(C(=O)CNc1ccc(C#N)cc1)[C@H]1CCS(=O)(=O)C1 ZINC000136543298 1189960607 /nfs/dbraw/zinc/96/06/07/1189960607.db2.gz KQDFWJUSRKLJKL-KRWDZBQOSA-N 1 0 378.498 0.938 20 30 GCEDRO C[NH+](C)CCCN(C(=O)CNc1ccc(C#N)cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000136543255 1189963022 /nfs/dbraw/zinc/96/30/22/1189963022.db2.gz KQDFWJUSRKLJKL-QGZVFWFLSA-N 1 0 378.498 0.938 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CCN(CC(=O)NC2CC2)CC1 ZINC000261705108 1193730743 /nfs/dbraw/zinc/73/07/43/1193730743.db2.gz UMLLFDAOFVSXFR-JQHSSLGASA-N 1 0 375.517 0.416 20 30 GCEDRO C[NH+]=C(NCc1ccnc(-n2cccn2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261722243 1193785485 /nfs/dbraw/zinc/78/54/85/1193785485.db2.gz KWTDVZJOJAGFOB-UHFFFAOYSA-N 1 0 393.455 0.425 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)NCCN2CC[NH2+]CC2)cc(OC)c1OC ZINC000419356145 1193856101 /nfs/dbraw/zinc/85/61/01/1193856101.db2.gz GZEMZQQMHTTYKT-UHFFFAOYSA-N 1 0 390.484 0.070 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)NC[C@H]2C[NH2+]CCCO2)cc(OC)c1OC ZINC000419362540 1193863012 /nfs/dbraw/zinc/86/30/12/1193863012.db2.gz PXZIIZWJAAPUMI-MRXNPFEDSA-N 1 0 391.468 0.543 20 30 GCEDRO C[NH+](C)CCN(Cc1ccc(C#N)cc1)C(=O)CNC(=O)c1ncccc1O ZINC000509902178 1193868711 /nfs/dbraw/zinc/86/87/11/1193868711.db2.gz OMZAAPPDQCXRKW-UHFFFAOYSA-N 1 0 381.436 0.979 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000729342808 1193913502 /nfs/dbraw/zinc/91/35/02/1193913502.db2.gz AOHXFNJCONNLHK-UHFFFAOYSA-N 1 0 378.454 0.525 20 30 GCEDRO C[NH+]=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261612971 1193921287 /nfs/dbraw/zinc/92/12/87/1193921287.db2.gz AINYSGBCKGWECU-JQHSSLGASA-N 1 0 386.500 0.992 20 30 GCEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261668380 1193922641 /nfs/dbraw/zinc/92/26/41/1193922641.db2.gz GNWRMOPORGDQJJ-UHFFFAOYSA-N 1 0 393.455 0.425 20 30 GCEDRO C[NH+]=C(NCCc1ccccn1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261698361 1193923537 /nfs/dbraw/zinc/92/35/37/1193923537.db2.gz FXNJJBXEQOIMDU-UHFFFAOYSA-N 1 0 392.485 0.335 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261708117 1193923666 /nfs/dbraw/zinc/92/36/66/1193923666.db2.gz GYWJANKTVHRIPC-OAHLLOKOSA-N 1 0 385.490 0.267 20 30 GCEDRO C[NH+]=C(NC[C@@]1(N(C)C)CCSC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261700651 1193923678 /nfs/dbraw/zinc/92/36/78/1193923678.db2.gz JCOXZIIBIDCMGP-KRWDZBQOSA-N 1 0 379.534 0.081 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc2C1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261742398 1193924287 /nfs/dbraw/zinc/92/42/87/1193924287.db2.gz KWOQFWRQDGLZQT-LJQANCHMSA-N 1 0 396.495 0.954 20 30 GCEDRO C[NH+]=C(NCCc1ccc2c(c1)OCCO2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261755016 1193925271 /nfs/dbraw/zinc/92/52/71/1193925271.db2.gz NTBALVSZAJPGRE-UHFFFAOYSA-N 1 0 398.467 0.658 20 30 GCEDRO C[NH+]=C(NCC1CCOCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261767565 1193925912 /nfs/dbraw/zinc/92/59/12/1193925912.db2.gz NRASUTIYZKYWDM-UHFFFAOYSA-N 1 0 385.490 0.124 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1=O ZINC000513241109 1193927105 /nfs/dbraw/zinc/92/71/05/1193927105.db2.gz PUXCZYMNMAZRRQ-CQSZACIVSA-N 1 0 388.424 0.818 20 30 GCEDRO CC[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261958298 1193933415 /nfs/dbraw/zinc/93/34/15/1193933415.db2.gz JKBBJVPWWWLPNK-HZPDHXFCSA-N 1 0 395.529 0.782 20 30 GCEDRO CC[NH+]=C(NCc1c[nH]nc1C)N1CCN([C@H](C)C(=O)N2CCCC2)CC1 ZINC000261970614 1193933692 /nfs/dbraw/zinc/93/36/92/1193933692.db2.gz MQABKRBZULJFFS-MRXNPFEDSA-N 1 0 375.521 0.812 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CC[C@@H](Oc2ccccn2)C1 ZINC000261974040 1193934267 /nfs/dbraw/zinc/93/42/67/1193934267.db2.gz NIHLKYKDEJVVMX-MRXNPFEDSA-N 1 0 395.529 0.782 20 30 GCEDRO CC[NH+]=C(NCCNC(=O)c1ccccc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261991747 1193934954 /nfs/dbraw/zinc/93/49/54/1193934954.db2.gz RLBAVRYPFHRHKW-UHFFFAOYSA-N 1 0 380.514 0.891 20 30 GCEDRO C[NH+]=C(NC[C@@]1(O)CCc2ccccc21)N[C@H]1CCc2nc(COC)nn2C1 ZINC000262005947 1193935560 /nfs/dbraw/zinc/93/55/60/1193935560.db2.gz VPMZCDMTSPRBLY-YWZLYKJASA-N 1 0 384.484 0.738 20 30 GCEDRO CS(=O)(=O)Nc1ccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)cc1 ZINC000262017553 1193936063 /nfs/dbraw/zinc/93/60/63/1193936063.db2.gz WVLLUJKFSKKNPO-UHFFFAOYSA-N 1 0 389.485 0.485 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1cccc(OC)c1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262012284 1193936102 /nfs/dbraw/zinc/93/61/02/1193936102.db2.gz WWSWVFCXJZOUDL-UHFFFAOYSA-N 1 0 396.513 0.509 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCc2ncnn2C1)N[C@H]1CCOc2ccccc21 ZINC000262241545 1193942473 /nfs/dbraw/zinc/94/24/73/1193942473.db2.gz ABISCTSSFZELEJ-ZBFHGGJFSA-N 1 0 397.483 0.740 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@@H]1CCCO1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000262274240 1193943689 /nfs/dbraw/zinc/94/36/89/1193943689.db2.gz HLRURVSPYBBNGX-HOTGVXAUSA-N 1 0 378.477 0.006 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@H]1CCc2ccccc2C1)N[C@H]1CCc2ncnn2C1 ZINC000262347612 1193945902 /nfs/dbraw/zinc/94/59/02/1193945902.db2.gz YIDRXGCHOYEOSZ-ROUUACIJSA-N 1 0 395.511 0.774 20 30 GCEDRO C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CCN(c2ncccn2)CC1 ZINC000262531027 1193950423 /nfs/dbraw/zinc/95/04/23/1193950423.db2.gz IDUDUSRXRBFEOQ-UHFFFAOYSA-N 1 0 384.440 0.982 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)c1ccccc1)N1CCN(c2ncccn2)CC1 ZINC000262572977 1193951364 /nfs/dbraw/zinc/95/13/64/1193951364.db2.gz NLCNGRHKCZMBQW-UHFFFAOYSA-N 1 0 388.497 0.648 20 30 GCEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262583490 1193951824 /nfs/dbraw/zinc/95/18/24/1193951824.db2.gz ROGAIZUMXMOCGM-INIZCTEOSA-N 1 0 375.473 0.879 20 30 GCEDRO CC[NH+]=C(NCc1ccnc(OC)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262583493 1193951905 /nfs/dbraw/zinc/95/19/05/1193951905.db2.gz ROGAIZUMXMOCGM-MRXNPFEDSA-N 1 0 375.473 0.879 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(C)(=O)=O)cc1)N1CCN(c2ncccn2)CC1 ZINC000262589328 1193951966 /nfs/dbraw/zinc/95/19/66/1193951966.db2.gz UFVSKENANJXBAB-UHFFFAOYSA-N 1 0 388.497 0.778 20 30 GCEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262745238 1193954952 /nfs/dbraw/zinc/95/49/52/1193954952.db2.gz ABZSKFAVUMALKE-OAHLLOKOSA-N 1 0 375.473 0.925 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NCC1CCOCC1 ZINC000262783018 1193955861 /nfs/dbraw/zinc/95/58/61/1193955861.db2.gz JJQLQJPAEJGKNG-UHFFFAOYSA-N 1 0 387.484 0.350 20 30 GCEDRO C[NH+]=C(NCc1cccc(-n2cncn2)c1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262792016 1193955874 /nfs/dbraw/zinc/95/58/74/1193955874.db2.gz OJRIOTAWJURENL-GOSISDBHSA-N 1 0 397.483 0.666 20 30 GCEDRO C[NH+]=C(NCc1ccnc(OC2CCOCC2)c1)N[C@@H]1CCc2ncnn2C1 ZINC000262812926 1193956092 /nfs/dbraw/zinc/95/60/92/1193956092.db2.gz UVXXLQVEJYVMRE-OAHLLOKOSA-N 1 0 385.472 0.911 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCc2nnc(C)n2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262810956 1193956102 /nfs/dbraw/zinc/95/61/02/1193956102.db2.gz UKINTYSAHWVVEV-OAHLLOKOSA-N 1 0 385.472 0.775 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCN(c2ncccn2)CC1 ZINC000262803673 1193956272 /nfs/dbraw/zinc/95/62/72/1193956272.db2.gz MZIJUEIXLQIDHP-UHFFFAOYSA-N 1 0 383.456 0.310 20 30 GCEDRO C[NH+]=C(NCC[C@@](O)(c1nccn1C)C(F)(F)F)N1CCN(C(C)=O)CC1 ZINC000263114728 1193962252 /nfs/dbraw/zinc/96/22/52/1193962252.db2.gz FOVMNWMJUIFHTK-OAHLLOKOSA-N 1 0 390.410 0.300 20 30 GCEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261808419 1194013803 /nfs/dbraw/zinc/01/38/03/1194013803.db2.gz SKLYCQRCMQOGEN-GOSISDBHSA-N 1 0 393.561 0.472 20 30 GCEDRO C[C@@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN([C@@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708846 1194015322 /nfs/dbraw/zinc/01/53/22/1194015322.db2.gz JBFJKOGCWJVTRP-FXAWDEMLSA-N 1 0 387.459 0.732 20 30 GCEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000419472812 1194038608 /nfs/dbraw/zinc/03/86/08/1194038608.db2.gz KCAPXKDLFLNGOI-QZTJIDSGSA-N 1 0 399.495 0.994 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000419729780 1194089263 /nfs/dbraw/zinc/08/92/63/1194089263.db2.gz MKQHPYAGMARSBM-MYKUNDNFSA-N 1 0 397.479 0.971 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419731612 1194089945 /nfs/dbraw/zinc/08/99/45/1194089945.db2.gz OMKZNWIQRHOTCW-LYAPFXNSSA-N 1 0 385.468 0.874 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCC(Oc2ncccc2C#N)CC1 ZINC000419739873 1194094094 /nfs/dbraw/zinc/09/40/94/1194094094.db2.gz WUSCPFYTMOOINF-AQFXKWCLSA-N 1 0 385.468 0.970 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@]12c1ccccc1NC2=O ZINC000419812172 1194112433 /nfs/dbraw/zinc/11/24/33/1194112433.db2.gz YUROWAHZVBQVGB-LHSJRXKWSA-N 1 0 395.463 0.636 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000419852218 1194119192 /nfs/dbraw/zinc/11/91/92/1194119192.db2.gz CCPJLCHLJAQXHF-HNNXBMFYSA-N 1 0 389.887 0.976 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000419852266 1194119886 /nfs/dbraw/zinc/11/98/86/1194119886.db2.gz CKCJTFUAFNBPNM-LJQANCHMSA-N 1 0 383.496 0.708 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000419856779 1194123189 /nfs/dbraw/zinc/12/31/89/1194123189.db2.gz FTZLPJKDWXJETF-QGZVFWFLSA-N 1 0 383.452 0.589 20 30 GCEDRO N#C[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419869300 1194126738 /nfs/dbraw/zinc/12/67/38/1194126738.db2.gz MXYITQUHUDVASY-OALUTQOASA-N 1 0 383.496 0.696 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419869299 1194126794 /nfs/dbraw/zinc/12/67/94/1194126794.db2.gz MXYITQUHUDVASY-MOPGFXCFSA-N 1 0 383.496 0.696 20 30 GCEDRO N#C[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)NCCCN1CC[NH2+]CC1 ZINC000419869301 1194126924 /nfs/dbraw/zinc/12/69/24/1194126924.db2.gz MXYITQUHUDVASY-RBUKOAKNSA-N 1 0 383.496 0.696 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000419887241 1194133648 /nfs/dbraw/zinc/13/36/48/1194133648.db2.gz DDASRSFEWCCFJO-MRXNPFEDSA-N 1 0 392.463 0.623 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000419919430 1194138692 /nfs/dbraw/zinc/13/86/92/1194138692.db2.gz VRZIWXHLQBMMDA-SFHVURJKSA-N 1 0 383.496 0.708 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)nc1 ZINC000419923223 1194139065 /nfs/dbraw/zinc/13/90/65/1194139065.db2.gz GDVTXYBOLXBSLW-QGZVFWFLSA-N 1 0 378.436 0.418 20 30 GCEDRO CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419968196 1194149128 /nfs/dbraw/zinc/14/91/28/1194149128.db2.gz AMAZZXHCYHWNEL-KRWDZBQOSA-N 1 0 394.479 0.855 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000419979904 1194151971 /nfs/dbraw/zinc/15/19/71/1194151971.db2.gz QDIQEZKEDRDVME-OAHLLOKOSA-N 1 0 387.459 0.852 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCCC3)CC2)nc1 ZINC000419986864 1194152909 /nfs/dbraw/zinc/15/29/09/1194152909.db2.gz ZYMVTQYPACWLDC-QGZVFWFLSA-N 1 0 384.484 0.626 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NCC[C@@H]3CCC[NH2+]C3)CC2)c(F)c1 ZINC000419986192 1194152976 /nfs/dbraw/zinc/15/29/76/1194152976.db2.gz XIRQUKWJORWAQJ-HNNXBMFYSA-N 1 0 387.459 0.852 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)c(F)c1 ZINC000420067296 1194171679 /nfs/dbraw/zinc/17/16/79/1194171679.db2.gz RSJQFLZUWAIEPP-NVXWUHKLSA-N 1 0 387.459 0.980 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000420096352 1194183459 /nfs/dbraw/zinc/18/34/59/1194183459.db2.gz ZPKJGFQWDWCGLO-OALUTQOASA-N 1 0 383.496 0.857 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1Cc1ccccc1 ZINC000420096349 1194183678 /nfs/dbraw/zinc/18/36/78/1194183678.db2.gz ZPKJGFQWDWCGLO-MOPGFXCFSA-N 1 0 383.496 0.857 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420162294 1194191848 /nfs/dbraw/zinc/19/18/48/1194191848.db2.gz KHRWLRCDEGULJV-GDBMZVCRSA-N 1 0 399.499 0.280 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420182012 1194197675 /nfs/dbraw/zinc/19/76/75/1194197675.db2.gz DXZUVEIQOGEXRS-OALUTQOASA-N 1 0 383.496 0.836 20 30 GCEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2ccc(C#N)cn2)CC1 ZINC000420169577 1194200185 /nfs/dbraw/zinc/20/01/85/1194200185.db2.gz RKOWEXPUPPIWGI-INIZCTEOSA-N 1 0 384.484 0.496 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000420197204 1194202339 /nfs/dbraw/zinc/20/23/39/1194202339.db2.gz VBUMIZHXRUWXKN-LJQANCHMSA-N 1 0 399.495 0.087 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000420205356 1194204647 /nfs/dbraw/zinc/20/46/47/1194204647.db2.gz IYTUCWSUKZHORD-XUVXKRRUSA-N 1 0 395.507 0.707 20 30 GCEDRO 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C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1OCC ZINC000983087291 1194416475 /nfs/dbraw/zinc/41/64/75/1194416475.db2.gz XIBUZKKNZUBHJS-ZJPYXAASSA-N 1 0 391.512 0.653 20 30 GCEDRO CC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H]2CCCN(c3ccc(C#N)cc3F)C2)C1 ZINC000422312441 1194617057 /nfs/dbraw/zinc/61/70/57/1194617057.db2.gz SHXOTCXAJFFBND-HZPDHXFCSA-N 1 0 387.459 0.993 20 30 GCEDRO C[C@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+] ZINC000423009863 1194716917 /nfs/dbraw/zinc/71/69/17/1194716917.db2.gz FFENEIGAHCISFG-QFBILLFUSA-N 1 0 383.496 0.646 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423008438 1194717095 /nfs/dbraw/zinc/71/70/95/1194717095.db2.gz AGHSUSUJGJWNSD-MOPGFXCFSA-N 1 0 381.480 0.270 20 30 GCEDRO C=CCN(Cc1cccs1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423015386 1194717352 /nfs/dbraw/zinc/71/73/52/1194717352.db2.gz KPQJEMLBHBADNW-CQSZACIVSA-N 1 0 378.498 0.576 20 30 GCEDRO 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N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)c(F)c1 ZINC000423215752 1194740658 /nfs/dbraw/zinc/74/06/58/1194740658.db2.gz OQLIHZQCKHYXNB-BQFCYCMXSA-N 1 0 399.470 0.932 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)c(F)c1 ZINC000423216117 1194740726 /nfs/dbraw/zinc/74/07/26/1194740726.db2.gz PMUVFYBFKCBXLU-DOTOQJQBSA-N 1 0 385.443 0.556 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423320696 1194747188 /nfs/dbraw/zinc/74/71/88/1194747188.db2.gz DQXPJHBOTYRIKS-NMLBUPMWSA-N 1 0 395.507 0.809 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000423338420 1194749878 /nfs/dbraw/zinc/74/98/78/1194749878.db2.gz RNCOOMTWXVWAQF-YTQUADARSA-N 1 0 383.496 0.809 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CCN1Cc1ccccc1 ZINC000423340728 1194750281 /nfs/dbraw/zinc/75/02/81/1194750281.db2.gz SZRIDURZUMQLDZ-IPMKNSEASA-N 1 0 381.480 0.291 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1=O ZINC000423493945 1194760636 /nfs/dbraw/zinc/76/06/36/1194760636.db2.gz RKJRSZMLSRWTJD-UAGQMJEPSA-N 1 0 388.443 0.324 20 30 GCEDRO C[NH2+]CCCN(C)C(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000423497840 1194761206 /nfs/dbraw/zinc/76/12/06/1194761206.db2.gz HLTVNXBFONHJGM-UHFFFAOYSA-N 1 0 377.876 0.928 20 30 GCEDRO C[NH2+][C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000423496713 1194761210 /nfs/dbraw/zinc/76/12/10/1194761210.db2.gz FKUNSWUDRRZPQT-CQSZACIVSA-N 1 0 375.860 0.681 20 30 GCEDRO N#Cc1ccc(C2=CCN(C(=O)C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)CC2)cc1 ZINC000423562085 1194764477 /nfs/dbraw/zinc/76/44/77/1194764477.db2.gz QDWRTYZMZZMIPX-FQEVSTJZSA-N 1 0 393.491 0.680 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)C[C@@H](C)[NH2+]1 ZINC000423555724 1194766254 /nfs/dbraw/zinc/76/62/54/1194766254.db2.gz GGNWTQABLOVYOS-VGWCWKRBSA-N 1 0 381.436 0.067 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000423587199 1194771662 /nfs/dbraw/zinc/77/16/62/1194771662.db2.gz DUGWFBJYMJLESF-CKNLXJGOSA-N 1 0 381.436 0.069 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)c1C#N ZINC000423644573 1194777270 /nfs/dbraw/zinc/77/72/70/1194777270.db2.gz ZXTDLABZVVXFRF-SFHVURJKSA-N 1 0 388.497 0.184 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)c1C#N ZINC000423653384 1194779671 /nfs/dbraw/zinc/77/96/71/1194779671.db2.gz OTRAENCQSYRHKJ-YPMHNXCESA-N 1 0 376.486 0.168 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)CC2)c1C#N ZINC000423653379 1194779686 /nfs/dbraw/zinc/77/96/86/1194779686.db2.gz OTRAENCQSYRHKJ-DGCLKSJQSA-N 1 0 376.486 0.168 20 30 GCEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N(CC[NH3+])Cc3ccccc3)C2)nc1 ZINC000423668520 1194782157 /nfs/dbraw/zinc/78/21/57/1194782157.db2.gz PWIILDDDJQAUIX-SFHVURJKSA-N 1 0 393.447 0.920 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)CC2)c1C#N ZINC000423698803 1194783506 /nfs/dbraw/zinc/78/35/06/1194783506.db2.gz PUMJJFSCFZJPKR-QGZVFWFLSA-N 1 0 376.486 0.169 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@]12C(=O)Nc1ccccc12 ZINC000423678672 1194784910 /nfs/dbraw/zinc/78/49/10/1194784910.db2.gz DFFNCGDQFYCWTG-TYTKBFJVSA-N 1 0 393.447 0.211 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000423710511 1194787486 /nfs/dbraw/zinc/78/74/86/1194787486.db2.gz LCQHDNIOERMEPA-AEFFLSMTSA-N 1 0 395.463 0.556 20 30 GCEDRO C[C@H](C[NH3+])N(C)C(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000423723206 1194789030 /nfs/dbraw/zinc/78/90/30/1194789030.db2.gz QJPKTYSXCHZGLJ-GFCCVEGCSA-N 1 0 386.412 0.260 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)c1C#N ZINC000423728354 1194790168 /nfs/dbraw/zinc/79/01/68/1194790168.db2.gz LUVVUFUZPSUMAU-KBPBESRZSA-N 1 0 388.497 0.040 20 30 GCEDRO 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N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000424078439 1194800943 /nfs/dbraw/zinc/80/09/43/1194800943.db2.gz PVQXVVDCHNMIJA-HNNXBMFYSA-N 1 0 395.441 0.449 20 30 GCEDRO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424081215 1194801091 /nfs/dbraw/zinc/80/10/91/1194801091.db2.gz UUEILZAGRNGMSE-KRWDZBQOSA-N 1 0 392.481 0.743 20 30 GCEDRO C=CCn1cc(CNC(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nn1 ZINC000424474199 1194814126 /nfs/dbraw/zinc/81/41/26/1194814126.db2.gz XROCLVYNLQBEIA-GOEBONIOSA-N 1 0 375.477 0.254 20 30 GCEDRO Cn1cc([C@@H]2CN(C(=O)C(=O)N[C@H](CCC#N)c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424519058 1194821219 /nfs/dbraw/zinc/82/12/19/1194821219.db2.gz JCJKKQWXLDZDTB-RCCFBDPRSA-N 1 0 380.452 0.834 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000424544399 1194822863 /nfs/dbraw/zinc/82/28/63/1194822863.db2.gz KQONQOAEKFPAFN-NQYYFHDYSA-N 1 0 387.480 0.964 20 30 GCEDRO C=CCCn1cc(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000424650923 1194827326 /nfs/dbraw/zinc/82/73/26/1194827326.db2.gz UUVGJAQDSDPSTG-UHFFFAOYSA-N 1 0 384.488 0.976 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000434457520 1194847088 /nfs/dbraw/zinc/84/70/88/1194847088.db2.gz XHYVUGAUSJWEIW-MRXNPFEDSA-N 1 0 381.498 0.728 20 30 GCEDRO C[NH+](C)C1CCN(C(=O)[C@H]2CCn3nccc3CN2C(=O)CCS)CC1 ZINC001269883337 1194879153 /nfs/dbraw/zinc/87/91/53/1194879153.db2.gz QAKTUOCEHBVMAY-MRXNPFEDSA-N 1 0 379.530 0.857 20 30 GCEDRO Cn1nc([C@H]2CCCO2)cc1NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000435020807 1194883557 /nfs/dbraw/zinc/88/35/57/1194883557.db2.gz RZXITUAKJDSQNN-OAHLLOKOSA-N 1 0 376.461 0.904 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)N3CCN(c4ccc(C#N)cn4)CC3)[C@@H]2C1 ZINC000425391184 1194940481 /nfs/dbraw/zinc/94/04/81/1194940481.db2.gz RTXCZUHGSZVWLD-DLBZAZTESA-N 1 0 382.468 0.154 20 30 GCEDRO C=CCn1cc(CNC(=O)NCC2(N3CCOCC3)CC[NH+](C)CC2)nn1 ZINC000425576299 1195012674 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WPBGADUPBCTSHH-OKZBNKHCSA-N 1 0 376.482 0.662 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ncn(Cc4ccc(C#N)cc4)n3)[C@@H]2C1 ZINC000425820979 1195122916 /nfs/dbraw/zinc/12/29/16/1195122916.db2.gz PYANIQCOENKXKU-DLBZAZTESA-N 1 0 393.451 0.689 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CC[C@]2(CCOC2)C1 ZINC000261948675 1195163104 /nfs/dbraw/zinc/16/31/04/1195163104.db2.gz GQPKIDWSFWNYKB-NRFANRHFSA-N 1 0 399.495 0.446 20 30 GCEDRO CC(C)(O)CN1CCN(C(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)CC1 ZINC000517321488 1195171327 /nfs/dbraw/zinc/17/13/27/1195171327.db2.gz AVFPJAQTRBJHNR-UHFFFAOYSA-N 1 0 394.497 0.407 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)NCCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000517787795 1195217137 /nfs/dbraw/zinc/21/71/37/1195217137.db2.gz ZVISAEJOFOHWJS-CYBMUJFWSA-N 1 0 375.404 0.339 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)C1=O ZINC000517817981 1195220441 /nfs/dbraw/zinc/22/04/41/1195220441.db2.gz MLKYTPFEFSHRJQ-CQSZACIVSA-N 1 0 376.388 0.521 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccc(N2CCOCC2)nc1 ZINC000438755731 1195245178 /nfs/dbraw/zinc/24/51/78/1195245178.db2.gz NTCJBQSTNOJZNC-UHFFFAOYSA-N 1 0 388.472 0.551 20 30 GCEDRO C=CCN(Cc1ccccc1)C(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000518148753 1195254534 /nfs/dbraw/zinc/25/45/34/1195254534.db2.gz ZHWNYXNIFZATAN-GOSISDBHSA-N 1 0 386.496 0.905 20 30 GCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000261965114 1195274179 /nfs/dbraw/zinc/27/41/79/1195274179.db2.gz ATIQJASSAOYRRS-MRXNPFEDSA-N 1 0 394.545 0.580 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)NC[C@H]1CCCS1 ZINC000261973101 1195292306 /nfs/dbraw/zinc/29/23/06/1195292306.db2.gz NFKUSCCJRDTTEW-MRXNPFEDSA-N 1 0 389.525 0.819 20 30 GCEDRO CC[NH+]=C(NCCc1ccc(S(N)(=O)=O)cc1)N1CC[C@@]2(CCOC2)C1 ZINC000261980052 1195296975 /nfs/dbraw/zinc/29/69/75/1195296975.db2.gz ORDSAZNNNWOARR-GOSISDBHSA-N 1 0 380.514 0.954 20 30 GCEDRO C=CC[NH+]=C(NCc1nnc(C)n1C)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261980096 1195297451 /nfs/dbraw/zinc/29/74/51/1195297451.db2.gz OREGXILBRHDNNQ-SFHVURJKSA-N 1 0 388.476 0.065 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000439216145 1195298051 /nfs/dbraw/zinc/29/80/51/1195298051.db2.gz RSFSPKSRGJPCJG-UHFFFAOYSA-N 1 0 381.440 0.940 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)NCc1ccccc1)N1CC[C@@]2(CCOC2)C1 ZINC000261984048 1195299676 /nfs/dbraw/zinc/29/96/76/1195299676.db2.gz POTARBFURMZJHD-GOSISDBHSA-N 1 0 380.514 0.794 20 30 GCEDRO CCc1nsc(N2CCN(C(NCc3nnc(C)n3C)=[NH+]C3CC3)CC2)n1 ZINC000261985230 1195300396 /nfs/dbraw/zinc/30/03/96/1195300396.db2.gz PXVVJQAORGJOMU-UHFFFAOYSA-N 1 0 389.533 0.968 20 30 GCEDRO CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCN(c2cnccc2C#N)CC1 ZINC000518717518 1195324358 /nfs/dbraw/zinc/32/43/58/1195324358.db2.gz LEYLKQPEAWNECY-SFHVURJKSA-N 1 0 398.511 0.935 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000439558657 1195332615 /nfs/dbraw/zinc/33/26/15/1195332615.db2.gz WMIFFKYPUFYSOG-UHFFFAOYSA-N 1 0 396.513 0.936 20 30 GCEDRO CC(C)n1cc(C#N)c(NC(=O)C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000439859573 1195360909 /nfs/dbraw/zinc/36/09/09/1195360909.db2.gz OXAOTBBMIWODBM-CQSZACIVSA-N 1 0 390.488 0.825 20 30 GCEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)N3CCN(c4cnccc4C#N)CC3)CC[C@@H]21 ZINC000519103469 1195369946 /nfs/dbraw/zinc/36/99/46/1195369946.db2.gz HLDNEBBIXYWSHV-ROUUACIJSA-N 1 0 396.495 0.545 20 30 GCEDRO C[NH+](C)CCN1C[C@@]2(F)CN(C(=O)C(F)(F)C(F)(F)F)C[C@@]2(F)C1=O ZINC001270554524 1195373105 /nfs/dbraw/zinc/37/31/05/1195373105.db2.gz FALLLKGFEACKPJ-GHMZBOCLSA-N 1 0 379.276 0.847 20 30 GCEDRO C#CCNS(=O)(=O)c1ccc(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000121920828 1195464807 /nfs/dbraw/zinc/46/48/07/1195464807.db2.gz ADFBMNLNXLQPPE-MRXNPFEDSA-N 1 0 392.525 0.211 20 30 GCEDRO CN(C(=O)CNS(=O)(=O)c1cccc(C#N)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000519571027 1195464931 /nfs/dbraw/zinc/46/49/31/1195464931.db2.gz FDDUVFWMROYMMJ-XYPWUTKMSA-N 1 0 376.482 0.920 20 30 GCEDRO 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MAWPFHXKJMKJEZ-OAHLLOKOSA-N 1 0 382.486 0.513 20 30 GCEDRO Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000328921888 1195680341 /nfs/dbraw/zinc/68/03/41/1195680341.db2.gz BVFOKBVHSCFHID-HOTGVXAUSA-N 1 0 382.486 0.635 20 30 GCEDRO CC[C@H]1CN(C(=O)NCC2CCN(S(C)(=O)=O)CC2)CC[N@@H+]1CCOC ZINC000330434012 1195688549 /nfs/dbraw/zinc/68/85/49/1195688549.db2.gz PPFBRDDRARRABI-INIZCTEOSA-N 1 0 390.550 0.615 20 30 GCEDRO CN(C1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1)S(C)(=O)=O ZINC000330489141 1195690329 /nfs/dbraw/zinc/69/03/29/1195690329.db2.gz LHSDJFMIYZOAGB-UHFFFAOYSA-N 1 0 389.566 0.282 20 30 GCEDRO C[NH+](C)C1CCN(CCNC(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000330487332 1195690495 /nfs/dbraw/zinc/69/04/95/1195690495.db2.gz HDDYXPAAQCQNSK-HNNXBMFYSA-N 1 0 389.566 0.188 20 30 GCEDRO CC(C)(C)CC[NH+]1CCN(CC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000330498977 1195692192 /nfs/dbraw/zinc/69/21/92/1195692192.db2.gz FMFSDFFTIHYZDE-CQSZACIVSA-N 1 0 388.534 0.258 20 30 GCEDRO 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SDXUAJCRODLANW-SWLSCSKDSA-N 1 0 387.419 0.873 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N(CC)CCNc2ccc(-c3nn[nH]n3)nc2)CC1 ZINC001573281838 946681769 /nfs/dbraw/zinc/68/17/69/946681769.db2.gz CFPIDOQUEFLLPK-UHFFFAOYSA-N 1 0 382.472 0.867 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)N(C)c2ccc(-c3nn[nH]n3)cn2)CC1 ZINC001573282291 946687685 /nfs/dbraw/zinc/68/76/85/946687685.db2.gz IAOBOKRFKSRWHZ-AWEZNQCLSA-N 1 0 382.472 0.548 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N(C)CCN(C)c2ncccc2-c2nn[nH]n2)CC1 ZINC001573282275 946687855 /nfs/dbraw/zinc/68/78/55/946687855.db2.gz HUAQLHSBAXASTI-UHFFFAOYSA-N 1 0 382.472 0.502 20 30 GCEDRO C#CCCCC(=O)NCCC[NH+]1CCN(c2ncccc2-c2nn[nH]n2)CC1 ZINC001573283400 946715537 /nfs/dbraw/zinc/71/55/37/946715537.db2.gz IHTBJEONVNPVBV-UHFFFAOYSA-N 1 0 382.472 0.694 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CCNC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)C ZINC001573284929 946762952 /nfs/dbraw/zinc/76/29/52/946762952.db2.gz ANQKCUOWFAQMAU-GXTWGEPZSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]2CN(c3cc(C)[nH+]cc3-c3nn[nH]n3)C[C@H]21 ZINC001573285654 946785406 /nfs/dbraw/zinc/78/54/06/946785406.db2.gz KNFJOQHGTDMVCO-GRDNDAEWSA-N 1 0 381.440 0.646 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+]C[C@@H](NC(=O)c1c[nH]c(-c2nn[nH]n2)c1)C(C)(C)C ZINC001573285733 946787133 /nfs/dbraw/zinc/78/71/33/946787133.db2.gz MMUABLPOMHZWQU-BXUZGUMPSA-N 1 0 386.460 0.067 20 30 GCEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573285992 946792379 /nfs/dbraw/zinc/79/23/79/946792379.db2.gz QXIFRYKSDQHXGB-UONOGXRCSA-N 1 0 386.431 0.982 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573285991 946792801 /nfs/dbraw/zinc/79/28/01/946792801.db2.gz QXIFRYKSDQHXGB-KGLIPLIRSA-N 1 0 386.431 0.982 20 30 GCEDRO C#CCOCCC(=O)N1C[C@@H]2CCC[C@]2(CNc2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001573287291 946833166 /nfs/dbraw/zinc/83/31/66/946833166.db2.gz MSEULNUVDGJVLK-YWZLYKJASA-N 1 0 395.467 0.764 20 30 GCEDRO C#Cc1ccc(C(=O)N[C@H](C)[C@@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)cn1 ZINC001573287532 946841734 /nfs/dbraw/zinc/84/17/34/946841734.db2.gz JJUUICGDPSFEDX-CHWSQXEVSA-N 1 0 376.424 0.987 20 30 GCEDRO C#Cc1ccc(C(=O)NCC[C@H](C)Nc2cc(C)[nH+]cc2-c2nn[nH]n2)nc1 ZINC001573287866 946850406 /nfs/dbraw/zinc/85/04/06/946850406.db2.gz LSYMLMLBMRJNTA-LBPRGKRZSA-N 1 0 376.424 0.989 20 30 GCEDRO C#CCOCCC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C[C@H]21 ZINC001573290310 946903397 /nfs/dbraw/zinc/90/33/97/946903397.db2.gz WDCSCCWIOARTFW-HWWDLCQESA-N 1 0 384.415 0.592 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567681 947052170 /nfs/dbraw/zinc/05/21/70/947052170.db2.gz QVAVODNLIMNKJE-KZULUSFZSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C1CC(C)(C(=O)N2CCC(O)(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001573297757 947066386 /nfs/dbraw/zinc/06/63/86/947066386.db2.gz LDRBKAZOXKDPNH-UHFFFAOYSA-N 1 0 383.456 0.805 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573568241 947071140 /nfs/dbraw/zinc/07/11/40/947071140.db2.gz ZWXMCEUTDCNCOO-RHSMWYFYSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCOCC1 ZINC001573573046 947119442 /nfs/dbraw/zinc/11/94/42/947119442.db2.gz LMNQIRWNZYSWHC-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCOCC1 ZINC001573573378 947121196 /nfs/dbraw/zinc/12/11/96/947121196.db2.gz MZVJHQRNOLZGAY-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573573483 947122329 /nfs/dbraw/zinc/12/23/29/947122329.db2.gz OATSNDUJUHALAH-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCOCC1 ZINC001573577096 947161741 /nfs/dbraw/zinc/16/17/41/947161741.db2.gz MBAGTZRKZAETPY-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2cc(-c3nn[nH]n3)c[nH]2)C1 ZINC001573334756 947463031 /nfs/dbraw/zinc/46/30/31/947463031.db2.gz HYGWNAMTGDEOME-CYBMUJFWSA-N 1 0 386.460 0.329 20 30 GCEDRO C=CCC[NH2+]CCNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3nn[nH]n3)[nH]2)C1 ZINC001573335666 947485962 /nfs/dbraw/zinc/48/59/62/947485962.db2.gz SBCIOPLABYSHDD-CYBMUJFWSA-N 1 0 386.460 0.329 20 30 GCEDRO C=CCOCC(=O)NC1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCOCC1 ZINC001573342693 947544769 /nfs/dbraw/zinc/54/47/69/947544769.db2.gz AAKYUYBCXGIQBK-UHFFFAOYSA-N 1 0 386.456 0.824 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@H](CC)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350270 947593532 /nfs/dbraw/zinc/59/35/32/947593532.db2.gz BRYISRIWQQFQEX-HNNXBMFYSA-N 1 0 381.444 0.942 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573350967 947605379 /nfs/dbraw/zinc/60/53/79/947605379.db2.gz MJJFIVSUFYANTJ-VBQJREDUSA-N 1 0 383.456 0.844 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@H](C)N(C)c2cc(C)[nH+]cc2-c2nn[nH]n2)nn1 ZINC001573351599 947616286 /nfs/dbraw/zinc/61/62/86/947616286.db2.gz TXWVLQZBRVKDJN-LBPRGKRZSA-N 1 0 382.432 0.602 20 30 GCEDRO CC#CCCCC(=O)NC1(CO)CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573358109 947656306 /nfs/dbraw/zinc/65/63/06/947656306.db2.gz FNNOQQDMAOIADD-UHFFFAOYSA-N 1 0 383.456 0.903 20 30 GCEDRO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124424 952538909 /nfs/dbraw/zinc/53/89/09/952538909.db2.gz IRICGTPSHJZKPU-HNNXBMFYSA-N 1 0 377.412 0.846 20 30 GCEDRO Cc1cc(NC2CC(N(C)C(=O)c3cc(C#N)c[nH]3)C2)c(-c2nn[nH]n2)c[nH+]1 ZINC001571127795 952559544 /nfs/dbraw/zinc/55/95/44/952559544.db2.gz NJQKBJBOROBMAL-UHFFFAOYSA-N 1 0 377.412 0.907 20 30 GCEDRO N#Cc1cc(C(=O)N2CCC(CNc3cc[nH+]cc3-c3nn[nH]n3)CC2)c[nH]1 ZINC001571129028 952572934 /nfs/dbraw/zinc/57/29/34/952572934.db2.gz ZMKZMOKKQTXRQZ-UHFFFAOYSA-N 1 0 377.412 0.848 20 30 GCEDRO COCCNC(=[NH2+])NC[C@@H](O)COc1ccc(I)cc1 ZINC000264278495 530155136 /nfs/dbraw/zinc/15/51/36/530155136.db2.gz NEFSHYVJVPCDNR-LLVKDONJSA-N 1 0 393.225 0.582 20 30 GCEDRO C[NH+]=C(NCCNS(=O)(=O)c1ccc(Cl)s1)N1CCC(O)CC1 ZINC000261947286 530131328 /nfs/dbraw/zinc/13/13/28/530131328.db2.gz YMRCJSAFEVXDGB-UHFFFAOYSA-N 1 0 380.923 0.712 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550418179 530248055 /nfs/dbraw/zinc/24/80/55/530248055.db2.gz KQMCGZQAKPPHAB-ZDUSSCGKSA-N 1 0 394.273 0.621 20 30 GCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)C(=O)Nc1ccc(Br)c(C#N)c1 ZINC000550418143 530248121 /nfs/dbraw/zinc/24/81/21/530248121.db2.gz KQMCGZQAKPPHAB-CYBMUJFWSA-N 1 0 394.273 0.621 20 30 GCEDRO Cc1cc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C#N ZINC000262270296 530212794 /nfs/dbraw/zinc/21/27/94/530212794.db2.gz KIUNJKQZUUKVJH-CQSZACIVSA-N 1 0 376.404 0.981 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000518759476 530331210 /nfs/dbraw/zinc/33/12/10/530331210.db2.gz WYEWJBVSHUQBQE-ZDUSSCGKSA-N 1 0 392.884 0.553 20 30 GCEDRO CS(=O)(=O)CC1CCC([NH2+]CCS(=O)(=O)c2ccc(C#N)cn2)CC1 ZINC000580553562 530323853 /nfs/dbraw/zinc/32/38/53/530323853.db2.gz ABXZVTPKRZWHDZ-UHFFFAOYSA-N 1 0 385.511 0.920 20 30 GCEDRO CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(C#N)c2)C[C@@H]1[NH+](C)C ZINC000582332090 530327474 /nfs/dbraw/zinc/32/74/74/530327474.db2.gz UBTOBRJHEPDZBG-GJZGRUSLSA-N 1 0 382.511 0.341 20 30 GCEDRO Cc1cc(NS(=O)(=O)CCCS(=O)(=O)N(C)[C@H](C)CC#N)c(C)c[nH+]1 ZINC000574927647 530328427 /nfs/dbraw/zinc/32/84/27/530328427.db2.gz QYHBSXHXFSLJCB-CQSZACIVSA-N 1 0 388.515 0.816 20 30 GCEDRO CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000594624293 530432022 /nfs/dbraw/zinc/43/20/22/530432022.db2.gz MBCFNHWOXKHFSM-STQMWFEESA-N 1 0 388.515 0.495 20 30 GCEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)CCCS(=O)(=O)NC(C)(C)C#N ZINC000594638801 530433546 /nfs/dbraw/zinc/43/35/46/530433546.db2.gz OTTGZDWQUKJJPN-ZIAGYGMSSA-N 1 0 392.547 0.096 20 30 GCEDRO CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000594479389 530429381 /nfs/dbraw/zinc/42/93/81/530429381.db2.gz AFIIUBULCTVFNX-UHFFFAOYSA-N 1 0 388.515 0.451 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000567734620 530466185 /nfs/dbraw/zinc/46/61/85/530466185.db2.gz RECJMFZJZPXSCI-LBPRGKRZSA-N 1 0 399.314 0.989 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000572135757 530510077 /nfs/dbraw/zinc/51/00/77/530510077.db2.gz KWZJRVXTLGSMDV-SKDRFNHKSA-N 1 0 399.270 0.253 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000572135755 530510082 /nfs/dbraw/zinc/51/00/82/530510082.db2.gz KWZJRVXTLGSMDV-CABZTGNLSA-N 1 0 399.270 0.253 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000572135756 530510094 /nfs/dbraw/zinc/51/00/94/530510094.db2.gz KWZJRVXTLGSMDV-JOYOIKCWSA-N 1 0 399.270 0.253 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CCCN2S(C)(=O)=O)C1 ZINC000330411565 530519557 /nfs/dbraw/zinc/51/95/57/530519557.db2.gz 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GHYTYEJRCDYWJI-NCOADZHNSA-N 1 0 379.501 0.387 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1O ZINC000970706376 1184976778 /nfs/dbraw/zinc/97/67/78/1184976778.db2.gz HRHRIJZEYQVUNG-NCOADZHNSA-N 1 0 379.501 0.530 20 30 GCEDRO CN1CCc2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2C1=O ZINC000275764574 1185036217 /nfs/dbraw/zinc/03/62/17/1185036217.db2.gz CZJWGWYIDXWCMD-UHFFFAOYSA-N 1 0 385.468 0.947 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000275783071 1185048435 /nfs/dbraw/zinc/04/84/35/1185048435.db2.gz FPUGVLXGTWYHGP-UHFFFAOYSA-N 1 0 399.448 0.106 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000275794463 1185063615 /nfs/dbraw/zinc/06/36/15/1185063615.db2.gz HLUYNAQTSLUTAT-AWEZNQCLSA-N 1 0 380.470 0.064 20 30 GCEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)C(=O)NCCCCC#N)CC1 ZINC000580176452 1185105537 /nfs/dbraw/zinc/10/55/37/1185105537.db2.gz PHFCXHVSSKCGDG-UHFFFAOYSA-N 1 0 379.505 0.539 20 30 GCEDRO 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ZINC000415848680 1189383927 /nfs/dbraw/zinc/38/39/27/1189383927.db2.gz DONWKVOMKPACQL-LJQANCHMSA-N 1 0 377.448 0.440 20 30 GCEDRO [NH3+]C[C@H]1CN(C(=O)C(=O)Nc2cccc(C#Cc3ccccn3)c2)CCCO1 ZINC000415867989 1189389076 /nfs/dbraw/zinc/38/90/76/1189389076.db2.gz XQFYKXLFMUWZSW-IBGZPJMESA-N 1 0 378.432 0.996 20 30 GCEDRO N#Cc1cc(Cl)ccc1-n1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)n1 ZINC000415876186 1189392310 /nfs/dbraw/zinc/39/23/10/1189392310.db2.gz CDJICCFMSIJWRJ-TZMCWYRMSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)n2)c(F)c1 ZINC000415892852 1189397582 /nfs/dbraw/zinc/39/75/82/1189397582.db2.gz MDAUBOGDBXKPGD-ZIAGYGMSSA-N 1 0 382.399 0.889 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000290466506 1189409954 /nfs/dbraw/zinc/40/99/54/1189409954.db2.gz UODFUVROKVTBMG-MRXNPFEDSA-N 1 0 392.481 0.017 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000290650546 1189429369 /nfs/dbraw/zinc/42/93/69/1189429369.db2.gz AGHMINXHEPMJOL-INIZCTEOSA-N 1 0 392.481 0.017 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)NC[C@@H]3C[N@@H+](C)CCN3C)CC2)c1C#N ZINC000290672430 1189433151 /nfs/dbraw/zinc/43/31/51/1189433151.db2.gz HGNGQGVSHMQCGJ-CQSZACIVSA-N 1 0 377.518 0.401 20 30 GCEDRO C[NH+]1CCC(CNS(=O)(=O)c2ccc(C#N)nc2)(N2CCOCC2)CC1 ZINC000416578437 1189553432 /nfs/dbraw/zinc/55/34/32/1189553432.db2.gz GTPJWPSFRPQWEO-UHFFFAOYSA-N 1 0 379.486 0.028 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000364069626 1189640007 /nfs/dbraw/zinc/64/00/07/1189640007.db2.gz YJWFETYTPNFCSL-HZPDHXFCSA-N 1 0 379.482 0.744 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[N@@H+]3CC[C@H](O)CC(C)(C)C3)CC2)o1 ZINC000584761508 1189656424 /nfs/dbraw/zinc/65/64/24/1189656424.db2.gz CCWMSFRKZJMNRZ-HNNXBMFYSA-N 1 0 375.473 0.986 20 30 GCEDRO C#CCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000759806374 1189744512 /nfs/dbraw/zinc/74/45/12/1189744512.db2.gz TWGNKBXWLQGRIK-UHFFFAOYSA-N 1 0 391.493 0.599 20 30 GCEDRO N#Cc1c(N)n(-c2ccccc2)nc1CCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000418305846 1189754952 /nfs/dbraw/zinc/75/49/52/1189754952.db2.gz PGXSAIKCHYZPTB-UHFFFAOYSA-N 1 0 396.499 0.463 20 30 GCEDRO CC(C)[C@H]([NH3+])CNC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418417254 1189781994 /nfs/dbraw/zinc/78/19/94/1189781994.db2.gz WLHNMHPBKCPOGH-MRXNPFEDSA-N 1 0 379.486 0.557 20 30 GCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418449293 1189790717 /nfs/dbraw/zinc/79/07/17/1189790717.db2.gz SNRSILDQEOPEMR-INIZCTEOSA-N 1 0 393.513 0.948 20 30 GCEDRO CCC[NH2+]CCNC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418480829 1189798717 /nfs/dbraw/zinc/79/87/17/1189798717.db2.gz RZJBATVBIMZOKA-UHFFFAOYSA-N 1 0 379.486 0.574 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418532691 1189818490 /nfs/dbraw/zinc/81/84/90/1189818490.db2.gz ZQLVRZKLWDNDJH-UHFFFAOYSA-N 1 0 377.470 0.456 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]3CN(C(=O)[C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)CC1 ZINC000974666114 1189868596 /nfs/dbraw/zinc/86/85/96/1189868596.db2.gz RWADRARRHNZXKV-KEDMDAKRSA-N 1 0 397.519 0.814 20 30 GCEDRO C=CCn1cc(C(=O)N2CC[C@H]3CCN(C(=O)[C@@H]4CC[N@H+](C)[C@@H]4C)[C@H]3C2)nn1 ZINC000975714539 1189967041 /nfs/dbraw/zinc/96/70/41/1189967041.db2.gz LMNDXBKYZOWOCT-HPFXQQBRSA-N 1 0 386.500 0.867 20 30 GCEDRO CNC(=O)CN1CCC(NC(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)=[NH+]C)CC1 ZINC000261704373 1193728757 /nfs/dbraw/zinc/72/87/57/1193728757.db2.gz JKHTYWDAUBSXLR-JQHSSLGASA-N 1 0 377.533 0.710 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[NH2+][C@@H](C2CC2)C2(CO)CCOCC2)CC1 ZINC000595588901 1193745894 /nfs/dbraw/zinc/74/58/94/1193745894.db2.gz TUWFCPXTSWUGAQ-ICSRJNTNSA-N 1 0 392.544 0.836 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(C#N)cc1 ZINC000419296941 1193792807 /nfs/dbraw/zinc/79/28/07/1193792807.db2.gz YHADZLSOXKQOSS-YJBOKZPZSA-N 1 0 397.479 0.406 20 30 GCEDRO COc1cc(C[NH2+]CCn2cnc(C#N)n2)ccc1OCC(=O)N1CCCC1 ZINC000512898657 1193796404 /nfs/dbraw/zinc/79/64/04/1193796404.db2.gz HJKUMPKFJBTOMU-UHFFFAOYSA-N 1 0 384.440 0.949 20 30 GCEDRO CC[NH+]=C(NCc1cccc(CO)c1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261731798 1193812882 /nfs/dbraw/zinc/81/28/82/1193812882.db2.gz JNCOXWNRGZBNFF-FQEVSTJZSA-N 1 0 387.484 0.955 20 30 GCEDRO C[NH+]=C(NCc1ccc(OC)cc1OC)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261645040 1193922426 /nfs/dbraw/zinc/92/24/26/1193922426.db2.gz DOSQMMODWKIRFZ-UHFFFAOYSA-N 1 0 386.456 0.862 20 30 GCEDRO C[NH+]=C(NCC1(O)CCCC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261747896 1193924844 /nfs/dbraw/zinc/92/48/44/1193924844.db2.gz LNGQJZIEKKKSLL-UHFFFAOYSA-N 1 0 385.490 0.003 20 30 GCEDRO C[NH+]=C(NCc1cccc(C(=O)N(C)C)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261753847 1193925273 /nfs/dbraw/zinc/92/52/73/1193925273.db2.gz NRTIJWZYADFNJF-UHFFFAOYSA-N 1 0 397.483 0.546 20 30 GCEDRO C[NH+]=C(NCc1ccnc(N2CCOCC2)c1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000261823497 1193927625 /nfs/dbraw/zinc/92/76/25/1193927625.db2.gz UUIPRTCPSFBZLF-GOSISDBHSA-N 1 0 399.499 0.801 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261936555 1193932074 /nfs/dbraw/zinc/93/20/74/1193932074.db2.gz CNTYQWKKYCIUQR-CABCVRRESA-N 1 0 381.502 0.392 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccccc1F)N1CCS(=O)(=O)C(C)(C)C1 ZINC000261957196 1193933241 /nfs/dbraw/zinc/93/32/41/1193933241.db2.gz JCTKBMGQFIUDNE-UHFFFAOYSA-N 1 0 384.477 0.640 20 30 GCEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)N1CCOCC1 ZINC000261976936 1193934178 /nfs/dbraw/zinc/93/41/78/1193934178.db2.gz GJBJMFBXDPUMLG-OAHLLOKOSA-N 1 0 382.486 0.291 20 30 GCEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(CCC(=O)N(C)C)CC1 ZINC000261982655 1193934750 /nfs/dbraw/zinc/93/47/50/1193934750.db2.gz PHFAXVUIDRAVED-UHFFFAOYSA-N 1 0 377.518 0.567 20 30 GCEDRO [NH2+]=C(NCc1ccc(N2CCOCC2)nc1)N1CCN(c2ncccn2)CC1 ZINC000262229609 1193942653 /nfs/dbraw/zinc/94/26/53/1193942653.db2.gz GPQZVPJUBUXGNB-UHFFFAOYSA-N 1 0 382.472 0.345 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C1CCCC1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262286045 1193943902 /nfs/dbraw/zinc/94/39/02/1193943902.db2.gz KDGBAOXWJZKWBY-UHFFFAOYSA-N 1 0 377.468 0.714 20 30 GCEDRO CC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000262328116 1193945218 /nfs/dbraw/zinc/94/52/18/1193945218.db2.gz AIXHIISJBSQUHR-INIZCTEOSA-N 1 0 394.545 0.616 20 30 GCEDRO CC(C)[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262433732 1193947764 /nfs/dbraw/zinc/94/77/64/1193947764.db2.gz STJRTUWVBIWMBE-HNNXBMFYSA-N 1 0 380.518 0.387 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262433737 1193947971 /nfs/dbraw/zinc/94/79/71/1193947971.db2.gz STJRTUWVBIWMBE-OAHLLOKOSA-N 1 0 380.518 0.387 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ccccn2)CC1 ZINC000262452150 1193948184 /nfs/dbraw/zinc/94/81/84/1193948184.db2.gz WDBWLBOMORISCC-MRXNPFEDSA-N 1 0 379.530 0.992 20 30 GCEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262584274 1193951744 /nfs/dbraw/zinc/95/17/44/1193951744.db2.gz RUUWDYDCKYRRPH-AWEZNQCLSA-N 1 0 376.486 0.794 20 30 GCEDRO C[NH+]=C(NCc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000262585566 1193951747 /nfs/dbraw/zinc/95/17/47/1193951747.db2.gz SHDDSTMYCUUZOI-INIZCTEOSA-N 1 0 375.429 0.993 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262687869 1193953894 /nfs/dbraw/zinc/95/38/94/1193953894.db2.gz BGGYEQGFWRLJIQ-UHFFFAOYSA-N 1 0 382.486 0.206 20 30 GCEDRO Cc1cc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)nc(N2CCCC2)n1 ZINC000262699901 1193953939 /nfs/dbraw/zinc/95/39/39/1193953939.db2.gz KATWXHYVGYOJPR-UHFFFAOYSA-N 1 0 381.488 0.812 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCc2nnc(C)n2C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262810953 1193956282 /nfs/dbraw/zinc/95/62/82/1193956282.db2.gz UKINTYSAHWVVEV-HNNXBMFYSA-N 1 0 385.472 0.775 20 30 GCEDRO C[NH+]=C(NC[C@@H](c1cccs1)N1CCOCC1)N1CCN(C(C)=O)CC1 ZINC000262947658 1193958958 /nfs/dbraw/zinc/95/89/58/1193958958.db2.gz BADYPNKLFNGHLR-INIZCTEOSA-N 1 0 379.530 0.861 20 30 GCEDRO COc1ccc(CNC(=[NH2+])NC[C@H]2CCn3ncc(C(N)=O)c3C2)cc1OC ZINC000279983590 1193971790 /nfs/dbraw/zinc/97/17/90/1193971790.db2.gz KZORPVKUJAYFSC-ZDUSSCGKSA-N 1 0 386.456 0.666 20 30 GCEDRO CC(C)n1nccc1/C=c1\sc(=C(C#N)C#N)n(C2CC[NH+](C)CC2)c1=O ZINC000279980775 1193971979 /nfs/dbraw/zinc/97/19/79/1193971979.db2.gz PYWQIJOLTGMBTN-YVLHZVERSA-N 1 0 382.493 0.981 20 30 GCEDRO N#CCC[C@@H](NC(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])c1ccccc1 ZINC000419472814 1194038844 /nfs/dbraw/zinc/03/88/44/1194038844.db2.gz KCAPXKDLFLNGOI-ZWKOTPCHSA-N 1 0 399.495 0.994 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419618175 1194070034 /nfs/dbraw/zinc/07/00/34/1194070034.db2.gz WJXOCUDWORBKRK-LYAPFXNSSA-N 1 0 385.468 0.874 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3CC[C@]4(CC[NH2+]C4)C3)CC2)nc1 ZINC000419620021 1194070303 /nfs/dbraw/zinc/07/03/03/1194070303.db2.gz ZLXWLFLBJDBDFD-BPZDKFOGSA-N 1 0 397.479 0.971 20 30 GCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419613827 1194073420 /nfs/dbraw/zinc/07/34/20/1194073420.db2.gz LLZBHHQIMOHHRW-AQFXKWCLSA-N 1 0 385.468 0.970 20 30 GCEDRO N#Cc1ccc(OC2CCC(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)nc1 ZINC000419614538 1194073972 /nfs/dbraw/zinc/07/39/72/1194073972.db2.gz NIHCMRWSBUZWHS-VYMRPNJYSA-N 1 0 397.479 0.827 20 30 GCEDRO O=C(NCC#Cc1cccc(F)c1)C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000419672842 1194079601 /nfs/dbraw/zinc/07/96/01/1194079601.db2.gz HXUILAXJQCEFCC-MSOLQXFVSA-N 1 0 385.439 0.520 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000419841788 1194119443 /nfs/dbraw/zinc/11/94/43/1194119443.db2.gz KUFRZIXSVUJBBU-CQSZACIVSA-N 1 0 375.860 0.728 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c(Cl)c1 ZINC000419852219 1194119718 /nfs/dbraw/zinc/11/97/18/1194119718.db2.gz CCPJLCHLJAQXHF-OAHLLOKOSA-N 1 0 389.887 0.976 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000419845695 1194120408 /nfs/dbraw/zinc/12/04/08/1194120408.db2.gz FNGZJTCKCFCFMC-UHFFFAOYSA-N 1 0 375.860 0.728 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1)[C@H]1CCC[NH2+]C1 ZINC000419885546 1194133497 /nfs/dbraw/zinc/13/34/97/1194133497.db2.gz KDDGAQJCVJPKBO-ZBFHGGJFSA-N 1 0 387.459 0.850 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CCC[NH2+]3)CC2)c(Cl)c1 ZINC000419889397 1194134134 /nfs/dbraw/zinc/13/41/34/1194134134.db2.gz GZSAGNATNQRSBQ-CQSZACIVSA-N 1 0 375.860 0.728 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419911562 1194142805 /nfs/dbraw/zinc/14/28/05/1194142805.db2.gz JTIDQCGFKNGVDY-ZBFHGGJFSA-N 1 0 393.451 0.202 20 30 GCEDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000419950457 1194143225 /nfs/dbraw/zinc/14/32/25/1194143225.db2.gz HJNLXHRZJVJMNL-LBPRGKRZSA-N 1 0 386.412 0.166 20 30 GCEDRO C[C@@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419941499 1194146398 /nfs/dbraw/zinc/14/63/98/1194146398.db2.gz MOBYYIPXWLKWMR-AWEZNQCLSA-N 1 0 380.452 0.466 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)C(=O)Nc1nc(-c2cccc(C#N)c2)cs1 ZINC000501420275 1194148097 /nfs/dbraw/zinc/14/80/97/1194148097.db2.gz IEEGXKYUANEVDS-HNNXBMFYSA-N 1 0 398.492 0.982 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)c1 ZINC000419967486 1194149742 /nfs/dbraw/zinc/14/97/42/1194149742.db2.gz OBKCXDVFJNQFPS-KRWDZBQOSA-N 1 0 384.484 0.626 20 30 GCEDRO CC(C)[C@H]([NH3+])CNC(=O)C(=O)N1CCN(c2ccc(C#N)cc2Cl)CC1 ZINC000419970596 1194150149 /nfs/dbraw/zinc/15/01/49/1194150149.db2.gz DZHKEKSUEKLFMV-OAHLLOKOSA-N 1 0 377.876 0.960 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])CC2)cc1 ZINC000420021643 1194158268 /nfs/dbraw/zinc/15/82/68/1194158268.db2.gz UMHBEQWEXZAVBT-RBUKOAKNSA-N 1 0 383.496 0.836 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420011901 1194161401 /nfs/dbraw/zinc/16/14/01/1194161401.db2.gz HIKUYAXLLVIBPY-RBSFLKMASA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@H](NS(=O)(=O)c1cccc(C#N)c1)C(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000420015239 1194161938 /nfs/dbraw/zinc/16/19/38/1194161938.db2.gz LPHMJFWBILSELJ-GUYCJALGSA-N 1 0 382.486 0.044 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCO[C@@H](c2cccc(C#N)c2)C1 ZINC000420039335 1194165462 /nfs/dbraw/zinc/16/54/62/1194165462.db2.gz NTNPBMAZHAGGGF-RRQGHBQHSA-N 1 0 386.452 0.687 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000420039337 1194165562 /nfs/dbraw/zinc/16/55/62/1194165562.db2.gz NTNPBMAZHAGGGF-XKQJLSEDSA-N 1 0 386.452 0.687 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCO[C@H](c2cccc(C#N)c2)C1 ZINC000420039333 1194165776 /nfs/dbraw/zinc/16/57/76/1194165776.db2.gz NTNPBMAZHAGGGF-JQFCIGGWSA-N 1 0 386.452 0.687 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CCC[NH2+]C1 ZINC000420098291 1194176982 /nfs/dbraw/zinc/17/69/82/1194176982.db2.gz JIZIAKSMNCUZAC-WVFSVQOHSA-N 1 0 395.463 0.364 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CCC[NH2+]C1 ZINC000420107717 1194180080 /nfs/dbraw/zinc/18/00/80/1194180080.db2.gz TVBUZPWLSGQGFO-FQEVSTJZSA-N 1 0 387.459 0.852 20 30 GCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420140631 1194192321 /nfs/dbraw/zinc/19/23/21/1194192321.db2.gz CFTPPTFVRDMEAF-FCMVICDYSA-N 1 0 381.436 0.115 20 30 GCEDRO CCCC[C@H](C[NH3+])NC(=O)C(=O)N1C[C@@H](C#N)[C@@]2(C1)c1ccccc1NC2=O ZINC000420145011 1194193410 /nfs/dbraw/zinc/19/34/10/1194193410.db2.gz MXGZMPBVNCLBHO-JZKQVHKSSA-N 1 0 383.452 0.492 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420182013 1194197953 /nfs/dbraw/zinc/19/79/53/1194197953.db2.gz DXZUVEIQOGEXRS-RBUKOAKNSA-N 1 0 383.496 0.836 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1=O ZINC000501624379 1194210573 /nfs/dbraw/zinc/21/05/73/1194210573.db2.gz NSMLVOOWWFPVKN-IAGOWNOFSA-N 1 0 376.501 0.612 20 30 GCEDRO CC[NH+]=C(NC[C@]1(C)CCCC[C@@H]1O)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261830119 1194268947 /nfs/dbraw/zinc/26/89/47/1194268947.db2.gz VHGVDPKTSLPIKG-LPHOPBHVSA-N 1 0 376.505 0.975 20 30 GCEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261837181 1194320400 /nfs/dbraw/zinc/32/04/00/1194320400.db2.gz WEJNGKDLYYXVHC-ZWKOTPCHSA-N 1 0 377.445 0.373 20 30 GCEDRO CCc1nsc(N2CCN(C(NCCN3CCOC[C@@H]3C)=[NH+]C)CC2)n1 ZINC000261848198 1194353873 /nfs/dbraw/zinc/35/38/73/1194353873.db2.gz XQBRSJURECMNEL-AWEZNQCLSA-N 1 0 381.550 0.519 20 30 GCEDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC(=O)N(CCC#N)CCC#N)cc1 ZINC000271829300 1194416129 /nfs/dbraw/zinc/41/61/29/1194416129.db2.gz RJXXVNKIJPAFED-AWEZNQCLSA-N 1 0 377.470 0.901 20 30 GCEDRO N#C[C@H](c1ccc(F)cc1)N1CCN(C(=O)C[NH2+]C2(CO)CCOCC2)CC1 ZINC000271999947 1194429052 /nfs/dbraw/zinc/42/90/52/1194429052.db2.gz RIJJGONHZDPPIJ-GOSISDBHSA-N 1 0 390.459 0.666 20 30 GCEDRO CC(C)(C)OC(=O)N1CCN2C(NCCNC(=O)c3ccn[nH]3)=[NH+]C[C@H]2C1 ZINC000272392802 1194456707 /nfs/dbraw/zinc/45/67/07/1194456707.db2.gz LOGOUALAMWTIGO-LBPRGKRZSA-N 1 0 377.449 0.020 20 30 GCEDRO C[NH+]=C(NCCN1C(=O)c2ccccc2C1=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000261860502 1194547940 /nfs/dbraw/zinc/54/79/40/1194547940.db2.gz YICIZGKJJAOYNJ-INIZCTEOSA-N 1 0 399.495 0.512 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000422388135 1194632426 /nfs/dbraw/zinc/63/24/26/1194632426.db2.gz LGRLCYUQGHVKRB-MSOLQXFVSA-N 1 0 397.479 0.328 20 30 GCEDRO C[N@H+](CCCCNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1)C1CC1 ZINC000422451203 1194643033 /nfs/dbraw/zinc/64/30/33/1194643033.db2.gz CTCIRGGFOVHZMS-UHFFFAOYSA-N 1 0 384.484 0.592 20 30 GCEDRO C[NH+](C)C1CCC(NC(=O)C(=O)N2CCN(c3cc(C#N)ccn3)CC2)CC1 ZINC000422636182 1194679758 /nfs/dbraw/zinc/67/97/58/1194679758.db2.gz MORYTPOUTJLOHG-UHFFFAOYSA-N 1 0 384.484 0.591 20 30 GCEDRO C#CCC1(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)CCOCC1 ZINC000889028059 1194692290 /nfs/dbraw/zinc/69/22/90/1194692290.db2.gz WVIBKYKTNXZLOF-ALOPSCKCSA-N 1 0 376.501 0.942 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)CC2)cc1 ZINC000423011867 1194717552 /nfs/dbraw/zinc/71/75/52/1194717552.db2.gz JNTWWHQDVTZARP-UFYCRDLUSA-N 1 0 395.507 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000423037917 1194720786 /nfs/dbraw/zinc/72/07/86/1194720786.db2.gz NNKQAOUZELTNPD-VQTJNVASSA-N 1 0 395.507 0.803 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423037916 1194720981 /nfs/dbraw/zinc/72/09/81/1194720981.db2.gz NNKQAOUZELTNPD-UXHICEINSA-N 1 0 395.507 0.803 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)N3CCC([NH2+]CC4CC4)CC3)CC2)c1 ZINC000423050927 1194724980 /nfs/dbraw/zinc/72/49/80/1194724980.db2.gz MKMFIMWCAMVDMD-UHFFFAOYSA-N 1 0 396.495 0.592 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(=O)NCc2cc(C#N)ccc2F)C1 ZINC000785394544 1194726444 /nfs/dbraw/zinc/72/64/44/1194726444.db2.gz BUFARSRNUMLUIO-INIZCTEOSA-N 1 0 376.432 0.787 20 30 GCEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)C1 ZINC000423146579 1194730789 /nfs/dbraw/zinc/73/07/89/1194730789.db2.gz PSCGBWJOBVPLQM-CABCVRRESA-N 1 0 387.459 0.932 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)c(F)c1 ZINC000423214698 1194740342 /nfs/dbraw/zinc/74/03/42/1194740342.db2.gz MXVMXQCJQRNVQC-HZPDHXFCSA-N 1 0 385.443 0.414 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CCC[C@@H]([NH3+])C2)CC1 ZINC000423216586 1194740748 /nfs/dbraw/zinc/74/07/48/1194740748.db2.gz OVZALFCVTOIHBC-MRXNPFEDSA-N 1 0 392.463 0.705 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)C(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000423218341 1194741105 /nfs/dbraw/zinc/74/11/05/1194741105.db2.gz RQYIKLBJYSWHOA-HNNXBMFYSA-N 1 0 392.463 0.562 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@H]1[NH3+] ZINC000423229658 1194742046 /nfs/dbraw/zinc/74/20/46/1194742046.db2.gz HNQUSUNAEFPSLN-CXAGYDPISA-N 1 0 383.452 0.541 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)C[C@@H]1[NH3+] ZINC000423229659 1194742147 /nfs/dbraw/zinc/74/21/47/1194742147.db2.gz HNQUSUNAEFPSLN-DYVFJYSZSA-N 1 0 383.452 0.541 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)CC[NH2+]1 ZINC000423230553 1194742234 /nfs/dbraw/zinc/74/22/34/1194742234.db2.gz JKHRYBIMZGSKRA-CQSZACIVSA-N 1 0 383.452 0.556 20 30 GCEDRO C=CCN(CC1CCCCC1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423310147 1194746709 /nfs/dbraw/zinc/74/67/09/1194746709.db2.gz MVZUJFWUHDXYMQ-QGZVFWFLSA-N 1 0 378.517 0.895 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccccc1 ZINC000423317362 1194747171 /nfs/dbraw/zinc/74/71/71/1194747171.db2.gz ATQPUGSUQCNEHN-CEXWTWQISA-N 1 0 381.480 0.291 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCN1Cc1ccccc1 ZINC000423345068 1194748683 /nfs/dbraw/zinc/74/86/83/1194748683.db2.gz XKXAGLZKHHNOGU-OTWHNJEPSA-N 1 0 381.480 0.433 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000423326673 1194749320 /nfs/dbraw/zinc/74/93/20/1194749320.db2.gz JOBHXRMSWRDYJD-RBUKOAKNSA-N 1 0 383.496 0.681 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)CCN1Cc1ccccc1 ZINC000423336745 1194749795 /nfs/dbraw/zinc/74/97/95/1194749795.db2.gz QSWXPEGIDYBFSR-LJQANCHMSA-N 1 0 395.507 0.825 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)C1 ZINC000423338418 1194749892 /nfs/dbraw/zinc/74/98/92/1194749892.db2.gz RNCOOMTWXVWAQF-WDSOQIARSA-N 1 0 383.496 0.809 20 30 GCEDRO C[NH2+]C[C@@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000423506168 1194760053 /nfs/dbraw/zinc/76/00/53/1194760053.db2.gz OUUJVACIOCMPTG-HNNXBMFYSA-N 1 0 389.887 0.928 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@H]1CCCN1C(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000423533091 1194761988 /nfs/dbraw/zinc/76/19/88/1194761988.db2.gz WRNSNDHVMZBLRZ-VAMGGRTRSA-N 1 0 395.507 0.791 20 30 GCEDRO N#C[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423527043 1194763275 /nfs/dbraw/zinc/76/32/75/1194763275.db2.gz LYJXMJRGPBKCGQ-ZCNNSNEGSA-N 1 0 395.507 0.791 20 30 GCEDRO CC[NH2+]CC1CCN(C(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)CC1 ZINC000423539467 1194765082 /nfs/dbraw/zinc/76/50/82/1194765082.db2.gz IIMTUMZVRJORKL-HNNXBMFYSA-N 1 0 399.499 0.233 20 30 GCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000423552033 1194766042 /nfs/dbraw/zinc/76/60/42/1194766042.db2.gz BXSPJCRYTSATCN-GVDBMIGSSA-N 1 0 376.501 0.660 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)C2)cc1 ZINC000423555733 1194766684 /nfs/dbraw/zinc/76/66/84/1194766684.db2.gz GHYCVKDDLIZSTL-QGZVFWFLSA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000423569821 1194768163 /nfs/dbraw/zinc/76/81/63/1194768163.db2.gz TZMJHSVVZCCLMK-IRXDYDNUSA-N 1 0 382.464 0.996 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@@]1(C)C[NH3+] ZINC000423572006 1194768626 /nfs/dbraw/zinc/76/86/26/1194768626.db2.gz WOSCGHJFFZTWGE-RZVAPFGTSA-N 1 0 395.463 0.302 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@@H](C#N)C2)[C@@H](C[NH3+])C1 ZINC000423629469 1194775392 /nfs/dbraw/zinc/77/53/92/1194775392.db2.gz BFQRNPFAYFCYJS-CEXWTWQISA-N 1 0 399.495 0.188 20 30 GCEDRO C[C@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000423639003 1194776530 /nfs/dbraw/zinc/77/65/30/1194776530.db2.gz BUZYFMHKIOFXCO-HNNXBMFYSA-N 1 0 392.463 0.575 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000423641509 1194777053 /nfs/dbraw/zinc/77/70/53/1194777053.db2.gz ATFNRISXHANWOY-OAHLLOKOSA-N 1 0 387.459 0.946 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000423622155 1194778009 /nfs/dbraw/zinc/77/80/09/1194778009.db2.gz MEIFFPNKFNEUAJ-ARGWCVDVSA-N 1 0 381.436 0.198 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)c1C#N ZINC000423653377 1194779755 /nfs/dbraw/zinc/77/97/55/1194779755.db2.gz OTRAENCQSYRHKJ-AAEUAGOBSA-N 1 0 376.486 0.168 20 30 GCEDRO N#Cc1ccc(O[C@H]2CCN(C(=O)C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)C2)nc1 ZINC000423655771 1194779982 /nfs/dbraw/zinc/77/99/82/1194779982.db2.gz BYNYUQGPNNAJIP-ROUUACIJSA-N 1 0 397.479 0.924 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000423680395 1194784996 /nfs/dbraw/zinc/78/49/96/1194784996.db2.gz FEOMSJKZLMMYFX-QYZOEREBSA-N 1 0 381.480 0.576 20 30 GCEDRO CN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000423683297 1194785833 /nfs/dbraw/zinc/78/58/33/1194785833.db2.gz TYUBLRWQLLIZGV-KRWDZBQOSA-N 1 0 385.468 0.363 20 30 GCEDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)[C@@H]1C[NH3+] ZINC000423721783 1194788612 /nfs/dbraw/zinc/78/86/12/1194788612.db2.gz FGCJTYUAZCQYGV-KBXCAEBGSA-N 1 0 387.459 0.932 20 30 GCEDRO C[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1C[NH3+] ZINC000423748062 1194791401 /nfs/dbraw/zinc/79/14/01/1194791401.db2.gz ZFKUXALLUWQEOH-LPHOPBHVSA-N 1 0 383.496 0.788 20 30 GCEDRO COc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cc1S(=O)(=O)N1CCOCC1 ZINC000424079963 1194801172 /nfs/dbraw/zinc/80/11/72/1194801172.db2.gz RVGOQDVYNFLUAZ-CQSZACIVSA-N 1 0 396.469 0.676 20 30 GCEDRO CCC(CC)(NC(=O)C1C[NH+](CCC(=O)Nc2cccc(C#N)c2)C1)C(N)=O ZINC000504696298 1194803608 /nfs/dbraw/zinc/80/36/08/1194803608.db2.gz XBPVFXSRWFAFGI-UHFFFAOYSA-N 1 0 385.468 0.979 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000424147973 1194803904 /nfs/dbraw/zinc/80/39/04/1194803904.db2.gz ZGMYCNWDAWPXMC-YJBOKZPZSA-N 1 0 386.452 0.955 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000424147971 1194804065 /nfs/dbraw/zinc/80/40/65/1194804065.db2.gz ZGMYCNWDAWPXMC-MAUKXSAKSA-N 1 0 386.452 0.955 20 30 GCEDRO CCOc1ccc(C#N)cc1NC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424450368 1194812927 /nfs/dbraw/zinc/81/29/27/1194812927.db2.gz WWRDZEQOPMDLPP-LSDHHAIUSA-N 1 0 382.424 0.582 20 30 GCEDRO C=CCN(CCc1ccccc1)C(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424548585 1194823488 /nfs/dbraw/zinc/82/34/88/1194823488.db2.gz QCCDEXLRSNPGAJ-RBUKOAKNSA-N 1 0 381.480 0.931 20 30 GCEDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000514228546 1194858532 /nfs/dbraw/zinc/85/85/32/1194858532.db2.gz GPGHXNFZAJAKNI-STQMWFEESA-N 1 0 377.445 0.681 20 30 GCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCN([C@@H]2CCN(c3sccc3C#N)C2=O)CC1 ZINC000141666919 1194869350 /nfs/dbraw/zinc/86/93/50/1194869350.db2.gz ZJUUIZMEGUKGDF-JKSUJKDBSA-N 1 0 387.509 0.963 20 30 GCEDRO 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CNS(=O)(=O)c1ccc(C(=O)Nc2n[nH]c(CCC[NH2+]C)c2C#N)cc1 ZINC000518352194 1195283741 /nfs/dbraw/zinc/28/37/41/1195283741.db2.gz QIPLQHSMTKAZIG-UHFFFAOYSA-N 1 0 376.442 0.594 20 30 GCEDRO C=CCN1C(=O)c2ccc(C(=O)NCCC[N@H+]3CCC[C@@H]3C(N)=O)cc2C1=O ZINC000518606938 1195309263 /nfs/dbraw/zinc/30/92/63/1195309263.db2.gz MYBBSHQCTQMASO-MRXNPFEDSA-N 1 0 384.436 0.538 20 30 GCEDRO CNC(=O)C(C#N)=c1sc(=Cc2cccc(C)c2)c(=O)n1C1CC[NH+](C)CC1 ZINC000518725121 1195323367 /nfs/dbraw/zinc/32/33/67/1195323367.db2.gz BYHVKCSQWVYPMA-UHFFFAOYSA-N 1 0 396.516 0.734 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000048606159 1195323634 /nfs/dbraw/zinc/32/36/34/1195323634.db2.gz NVDBMEQVWYOANN-UHFFFAOYSA-N 1 0 382.486 0.500 20 30 GCEDRO N#CCCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000439621917 1195336149 /nfs/dbraw/zinc/33/61/49/1195336149.db2.gz XVTHANXGNUESKO-UHFFFAOYSA-N 1 0 375.392 1.543 20 30 GCEDRO CC[NH+]1CCN([C@@H](C)CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C#N)CC1 ZINC000440090508 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1197168461 /nfs/dbraw/zinc/16/84/61/1197168461.db2.gz YYPJRSWNRHDZTB-SFHVURJKSA-N 1 0 393.532 0.534 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C)C[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000127449886 1197184517 /nfs/dbraw/zinc/18/45/17/1197184517.db2.gz XYMAXDGZTYNRPW-KRWDZBQOSA-N 1 0 378.517 0.999 20 30 GCEDRO N#C[C@@H](c1cccs1)N1CCN(C(=O)CN2CCCN(C(N)=O)CC2)CC1 ZINC000182746299 1197207964 /nfs/dbraw/zinc/20/79/64/1197207964.db2.gz OXIGBZKFUVEMCC-HNNXBMFYSA-N 1 0 390.513 0.543 20 30 GCEDRO Cn1ncc(C(=O)NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)c1C#N ZINC000475779409 1197228800 /nfs/dbraw/zinc/22/88/00/1197228800.db2.gz IXIMBWCPSJCSSK-INIZCTEOSA-N 1 0 380.452 0.919 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)CN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000189408040 1197237029 /nfs/dbraw/zinc/23/70/29/1197237029.db2.gz JLWIACOJGBQXGD-ROUUACIJSA-N 1 0 379.549 0.456 20 30 GCEDRO [NH2+]=C(NCC1(N2CCOCC2)CCCCC1)N1CCN(c2ncccn2)CC1 ZINC000263261367 1197256910 /nfs/dbraw/zinc/25/69/10/1197256910.db2.gz 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C=CCNS(=O)(=O)c1ccc(C(=O)NCC2(COC)CC[NH2+]CC2)cc1 ZINC000261673052 1197509650 /nfs/dbraw/zinc/50/96/50/1197509650.db2.gz GNXMHQFPOUQKFE-UHFFFAOYSA-N 1 0 381.498 0.897 20 30 GCEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261780398 1197514760 /nfs/dbraw/zinc/51/47/60/1197514760.db2.gz PFWLFKFQXLCRLA-IBGZPJMESA-N 1 0 383.456 0.720 20 30 GCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(OCC(=O)N2CCOCC2)c(OC)c1 ZINC000272050459 1197560343 /nfs/dbraw/zinc/56/03/43/1197560343.db2.gz XTYPSSUUBYQSRF-UHFFFAOYSA-N 1 0 377.441 0.325 20 30 GCEDRO C=CCNC(=O)CNc1ccc(S(=O)(=O)NCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000272004426 1197561098 /nfs/dbraw/zinc/56/10/98/1197561098.db2.gz KYSWNOTXYKEWFW-UHFFFAOYSA-N 1 0 385.446 0.149 20 30 GCEDRO C=CCS(=O)(=O)CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000272807101 1197564941 /nfs/dbraw/zinc/56/49/41/1197564941.db2.gz FXDHKKSOAPWFBI-UHFFFAOYSA-N 1 0 394.541 0.704 20 30 GCEDRO C=CCc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H]3OCC(=O)N[C@H]3C2)c(OC)c1 ZINC000459516725 1197582439 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/nfs/dbraw/zinc/79/97/92/946799792.db2.gz WSFCPJDGTBOKJR-YJBOKZPZSA-N 1 0 381.484 0.949 20 30 GCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C[C@H]21 ZINC001573286526 946812818 /nfs/dbraw/zinc/81/28/18/946812818.db2.gz CZXHEHOYPLQNLD-LCSDZXHASA-N 1 0 384.415 0.591 20 30 GCEDRO C=C(C)CC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)n1 ZINC001573293684 946964348 /nfs/dbraw/zinc/96/43/48/946964348.db2.gz GFDPYRITYWVSSN-UHFFFAOYSA-N 1 0 383.416 0.676 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001573566578 947026639 /nfs/dbraw/zinc/02/66/39/947026639.db2.gz DIHZLSCUUMUOEJ-BDJLRTHQSA-N 1 0 375.458 0.531 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001573567731 947054801 /nfs/dbraw/zinc/05/48/01/947054801.db2.gz RNOFOOSIEWZKJP-JSGCOSHPSA-N 1 0 387.419 0.873 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](CO)([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001573567950 947059772 /nfs/dbraw/zinc/05/97/72/947059772.db2.gz VFQPFYHXHNCNDV-SGTLLEGYSA-N 1 0 387.419 0.609 20 30 GCEDRO C=C(Cl)C[NH2+]C1CCN(CCNC(=O)c2ccc(-c3nn[nH]n3)[nH]2)CC1 ZINC001573297116 947060077 /nfs/dbraw/zinc/06/00/77/947060077.db2.gz DNTRCGZAXJKWEQ-UHFFFAOYSA-N 1 0 378.868 0.731 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001573568240 947071065 /nfs/dbraw/zinc/07/10/65/947071065.db2.gz ZWXMCEUTDCNCOO-PBHICJAKSA-N 1 0 383.456 0.812 20 30 GCEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001573300358 947111212 /nfs/dbraw/zinc/11/12/12/947111212.db2.gz OVIIDFALGUKWMY-SUMWQHHRSA-N 1 0 385.472 0.932 20 30 GCEDRO C[C@@H](C#N)C(=O)NC1(C[NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCOCC1 ZINC001573574345 947128557 /nfs/dbraw/zinc/12/85/57/947128557.db2.gz RICRJLJOOMJIGQ-LBPRGKRZSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@H](C#N)C(=O)NC[C@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)s2)CCCO1 ZINC001573584265 947215512 /nfs/dbraw/zinc/21/55/12/947215512.db2.gz SHHUPKOKYQMPKI-NEPJUHHUSA-N 1 0 375.458 0.795 20 30 GCEDRO C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001573584515 947225217 /nfs/dbraw/zinc/22/52/17/947225217.db2.gz XDZROMOOTHAAAP-AWEZNQCLSA-N 1 0 382.472 0.697 20 30 GCEDRO C[C@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573584588 947228097 /nfs/dbraw/zinc/22/80/97/947228097.db2.gz YUSYRLBCVCDIQP-CQSZACIVSA-N 1 0 382.472 0.697 20 30 GCEDRO C=CCOCC(=O)N1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573344176 947569256 /nfs/dbraw/zinc/56/92/56/947569256.db2.gz XUKLIAAGIMZHOC-UHFFFAOYSA-N 1 0 386.456 0.512 20 30 GCEDRO CC1(Nc2cc[nH+]cc2-c2nn[nH]n2)CCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC001575853238 949207586 /nfs/dbraw/zinc/20/75/86/949207586.db2.gz MLWCKSIXZNLTSI-UHFFFAOYSA-N 1 0 377.412 0.990 20 30 GCEDRO C[C@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575145387 952182934 /nfs/dbraw/zinc/18/29/34/952182934.db2.gz WXHYPDKLKAFRPU-GOSISDBHSA-N 1 0 377.412 0.894 20 30 GCEDRO C[C@@](CNc1cc[nH+]cc1-c1nn[nH]n1)(NC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC001575145388 952183174 /nfs/dbraw/zinc/18/31/74/952183174.db2.gz WXHYPDKLKAFRPU-SFHVURJKSA-N 1 0 377.412 0.894 20 30 GCEDRO Cc1cc(N[C@@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C)c(-c2nn[nH]n2)c[nH+]1 ZINC001571127714 952559491 /nfs/dbraw/zinc/55/94/91/952559491.db2.gz MFXQCUBHHHBUAZ-QLJPJBMISA-N 1 0 377.412 0.764 20 30 GCEDRO C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C#N)cc1C(=O)[O-] ZINC001598224286 990906447 /nfs/dbraw/zinc/90/64/47/990906447.db2.gz CHXYLDOVENIRRV-UHFFFAOYSA-N 1 0 394.497 0.903 20 30 GCEDRO C[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)NC[C@@](C)(O)c1ccsc1 ZINC000261730876 530129819 /nfs/dbraw/zinc/12/98/19/530129819.db2.gz YDPHJXWTUGIMIQ-MRXNPFEDSA-N 1 0 388.559 0.792 20 30 GCEDRO C[NH+]=C(NCc1ccsc1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261749645 530129864 /nfs/dbraw/zinc/12/98/64/530129864.db2.gz LRDFUMDVTUAHIF-UHFFFAOYSA-N 1 0 383.499 0.959 20 30 GCEDRO N#Cc1cccc(CS(=O)(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000261606492 530190063 /nfs/dbraw/zinc/19/00/63/530190063.db2.gz ARHNEKHMXVIYRS-AWEZNQCLSA-N 1 0 376.404 0.814 20 30 GCEDRO Cc1cccc(S(=O)(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C#N ZINC000261745296 530192610 /nfs/dbraw/zinc/19/26/10/530192610.db2.gz KTMTXAGJBARZCW-CQSZACIVSA-N 1 0 376.404 0.981 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)NCC(=O)N1CC[NH2+]CC1 ZINC000578650634 530159994 /nfs/dbraw/zinc/15/99/94/530159994.db2.gz AWEOZBBTIIFJJN-UHFFFAOYSA-N 1 0 387.259 0.031 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000410143596 530235675 /nfs/dbraw/zinc/23/56/75/530235675.db2.gz RNOJSULXTNKVFM-UHFFFAOYSA-N 1 0 376.523 0.572 20 30 GCEDRO C[NH+]1CCN(CCNS(=O)(=O)c2cccc(Br)c2C#N)CC1 ZINC000287536029 530244351 /nfs/dbraw/zinc/24/43/51/530244351.db2.gz WELBGEGZYCUMAB-UHFFFAOYSA-N 1 0 387.303 0.846 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](CS(=O)(=O)N(C)C)C(F)(F)F)CC1 ZINC000561569967 530281098 /nfs/dbraw/zinc/28/10/98/530281098.db2.gz XAAWMJWURPTFSB-LBPRGKRZSA-N 1 0 386.440 0.758 20 30 GCEDRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000329285840 530284408 /nfs/dbraw/zinc/28/44/08/530284408.db2.gz LUUUSSFBTBFHSU-OAHLLOKOSA-N 1 0 390.575 0.839 20 30 GCEDRO O=C(NCCS(=O)(=O)N1CCSCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000329285839 530284451 /nfs/dbraw/zinc/28/44/51/530284451.db2.gz LUUUSSFBTBFHSU-HNNXBMFYSA-N 1 0 390.575 0.839 20 30 GCEDRO C[NH+]=C(NCc1ccc(S(N)(=O)=O)s1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000175581483 530357907 /nfs/dbraw/zinc/35/79/07/530357907.db2.gz KDXBZPNPADVMTQ-NSHDSACASA-N 1 0 382.515 0.694 20 30 GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c1 ZINC000584183486 530359951 /nfs/dbraw/zinc/35/99/51/530359951.db2.gz JXDIILGVYDTPHV-YPMHNXCESA-N 1 0 399.270 0.253 20 30 GCEDRO CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CC1(CC#N)CC1 ZINC000563002743 530347921 /nfs/dbraw/zinc/34/79/21/530347921.db2.gz IZPYOPIMADZSEO-UHFFFAOYSA-N 1 0 385.511 0.994 20 30 GCEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)CC1 ZINC000594619245 530431530 /nfs/dbraw/zinc/43/15/30/530431530.db2.gz OOAZAPPKUYJFLW-UHFFFAOYSA-N 1 0 384.483 0.029 20 30 GCEDRO CC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC[NH+](C)C)cc1 ZINC000594623473 530431742 /nfs/dbraw/zinc/43/17/42/530431742.db2.gz JCFDBMPNXMJWJF-ZDUSSCGKSA-N 1 0 388.515 0.449 20 30 GCEDRO CN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+]2CCCC2)cc1 ZINC000594626517 530432371 /nfs/dbraw/zinc/43/23/71/530432371.db2.gz YMZOLDAIJTXHBJ-UHFFFAOYSA-N 1 0 386.499 0.205 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCCCN2CC[NH2+]CC2)cc1Br ZINC000584782857 530512015 /nfs/dbraw/zinc/51/20/15/530512015.db2.gz GAPQDURWWJCACD-UHFFFAOYSA-N 1 0 387.303 0.894 20 30 GCEDRO C[C@@H](CNC(=O)NCCS(=O)(=O)N1CCSCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000328658671 530517364 /nfs/dbraw/zinc/51/73/64/530517364.db2.gz RLZJGBUZSQJVLH-CABCVRRESA-N 1 0 392.591 0.989 20 30 GCEDRO C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000330440845 530520564 /nfs/dbraw/zinc/52/05/64/530520564.db2.gz DENCSBBOTKPAAE-VIFPVBQESA-N 1 0 380.923 0.989 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000331357094 530548153 /nfs/dbraw/zinc/54/81/53/530548153.db2.gz STHPDIMBXXWEDO-CQSZACIVSA-N 1 0 375.539 0.397 20 30 GCEDRO CCC[C@@H](C#N)NS(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000567520985 530543598 /nfs/dbraw/zinc/54/35/98/530543598.db2.gz MAIWKNQSMPOELQ-ZDUSSCGKSA-N 1 0 388.515 0.497 20 30 GCEDRO CNS(=O)(=O)NC1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000331243260 530544386 /nfs/dbraw/zinc/54/43/86/530544386.db2.gz RJYCCKYXUDBPRZ-UHFFFAOYSA-N 1 0 375.539 0.541 20 30 GCEDRO C#CC[N@H+](C)CCCNC(=O)NCCNS(=O)(=O)c1cc(C)sc1C ZINC000296791048 530569346 /nfs/dbraw/zinc/56/93/46/530569346.db2.gz HOBRWVMHZPKKEF-UHFFFAOYSA-N 1 0 386.543 0.898 20 30 GCEDRO C[N@H+]1CC=C(CNS(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)CC1 ZINC000574769850 530594365 /nfs/dbraw/zinc/59/43/65/530594365.db2.gz AMSAAQOGXMMKFY-UHFFFAOYSA-N 1 0 384.483 0.029 20 30 GCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000574150668 530587696 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20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000516181781 530832504 /nfs/dbraw/zinc/83/25/04/530832504.db2.gz VWUINGBBMLEZTO-LBPRGKRZSA-N 1 0 399.314 0.989 20 30 GCEDRO N#Cc1ccccc1OC[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000600725182 530822511 /nfs/dbraw/zinc/82/25/11/530822511.db2.gz CNSKHYFSQVOWPN-CQSZACIVSA-N 1 0 381.479 0.928 20 30 GCEDRO COCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419698567 530862131 /nfs/dbraw/zinc/86/21/31/530862131.db2.gz PUVUAVIAZWFBPE-UHFFFAOYSA-N 1 0 383.246 0.954 20 30 GCEDRO C[NH+](C)CCOCCNC(=O)C(=O)Nc1cccc(C#N)c1Br ZINC000419696223 530862446 /nfs/dbraw/zinc/86/24/46/530862446.db2.gz NWQFQJGIFMCQEX-UHFFFAOYSA-N 1 0 383.246 0.954 20 30 GCEDRO N#Cc1cc(Br)cc(S(=O)(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000376729724 530899272 /nfs/dbraw/zinc/89/92/72/530899272.db2.gz PLYKMRYWTNKIRW-AWEZNQCLSA-N 1 0 399.314 0.989 20 30 GCEDRO COCC[NH+](CCOC)C1CCN(S(=O)(=O)N(C)C[C@H](C)C#N)CC1 ZINC000511381076 530936535 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Cc1ccc(C#N)cc1NC(=O)C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000415690130 1188141829 /nfs/dbraw/zinc/14/18/29/1188141829.db2.gz KKVKYSKFCXQQPZ-AWEZNQCLSA-N 1 0 383.374 0.758 20 30 GCEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000415702926 1188143754 /nfs/dbraw/zinc/14/37/54/1188143754.db2.gz DJMCCZMGPMTACR-MRXNPFEDSA-N 1 0 385.468 0.790 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC[C@@]4(CC[NH2+]C4)C3)n2)c(F)c1 ZINC000415715438 1188148318 /nfs/dbraw/zinc/14/83/18/1188148318.db2.gz AOXGWCQUSFTQDW-FQEVSTJZSA-N 1 0 396.426 1.424 20 30 GCEDRO CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000415727115 1188151937 /nfs/dbraw/zinc/15/19/37/1188151937.db2.gz PCZMQERQXCVGAB-MRXNPFEDSA-N 1 0 385.468 0.790 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)c(Cl)c1 ZINC000415743183 1188154586 /nfs/dbraw/zinc/15/45/86/1188154586.db2.gz KFBAQQIXPHOVTD-ZIAGYGMSSA-N 1 0 398.854 1.404 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c(F)c1 ZINC000415747856 1188156829 /nfs/dbraw/zinc/15/68/29/1188156829.db2.gz OXFFYJHVGJOYHK-KGLIPLIRSA-N 1 0 382.399 0.889 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)c(F)c1 ZINC000415755681 1188157488 /nfs/dbraw/zinc/15/74/88/1188157488.db2.gz AGJGGADLFRGVOD-ZFWWWQNUSA-N 1 0 382.399 1.032 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c(F)c1 ZINC000415764460 1188160240 /nfs/dbraw/zinc/16/02/40/1188160240.db2.gz ZLFMCPWZITVEPW-GASCZTMLSA-N 1 0 396.426 1.280 20 30 GCEDRO CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000290360435 1188161138 /nfs/dbraw/zinc/16/11/38/1188161138.db2.gz OZVSZXOEBQPEQC-CQSZACIVSA-N 1 0 383.456 0.981 20 30 GCEDRO C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000377893747 1188164612 /nfs/dbraw/zinc/16/46/12/1188164612.db2.gz IXZULEVNLPEJDO-QWHCGFSZSA-N 1 0 379.424 0.819 20 30 GCEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290376796 1189373587 /nfs/dbraw/zinc/37/35/87/1189373587.db2.gz AUEMKLQTEQYZLP-ZBFHGGJFSA-N 1 0 376.482 0.922 20 30 GCEDRO CC1CC[NH+](CCNC(=O)C(=O)Nc2ccccc2-n2cnc(C#N)n2)CC1 ZINC000377931366 1189376244 /nfs/dbraw/zinc/37/62/44/1189376244.db2.gz HJTSTILBJZXZEE-UHFFFAOYSA-N 1 0 381.440 0.926 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000290394644 1189381363 /nfs/dbraw/zinc/38/13/63/1189381363.db2.gz JSTFRNXSSMQPMI-INIZCTEOSA-N 1 0 376.482 0.970 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@@H]4C3)n2)c(F)c1 ZINC000415892851 1189397449 /nfs/dbraw/zinc/39/74/49/1189397449.db2.gz MDAUBOGDBXKPGD-UONOGXRCSA-N 1 0 382.399 0.889 20 30 GCEDRO NS(=O)(=O)N1CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000330212913 1189548748 /nfs/dbraw/zinc/54/87/48/1189548748.db2.gz DYBLXBPXINGIIW-CVEARBPZSA-N 1 0 388.534 0.626 20 30 GCEDRO COC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C1 ZINC000066833005 1189569855 /nfs/dbraw/zinc/56/98/55/1189569855.db2.gz ULLAPJGQPCXSBA-AWEZNQCLSA-N 1 0 375.429 0.388 20 30 GCEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000290747163 1189638876 /nfs/dbraw/zinc/63/88/76/1189638876.db2.gz NJPZDWQOZJVTAC-AWEZNQCLSA-N 1 0 394.497 0.140 20 30 GCEDRO CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000418449301 1189790455 /nfs/dbraw/zinc/79/04/55/1189790455.db2.gz SNRSILDQEOPEMR-MRXNPFEDSA-N 1 0 393.513 0.948 20 30 GCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418450508 1189790673 /nfs/dbraw/zinc/79/06/73/1189790673.db2.gz UPHGJJQBZLYMKM-INIZCTEOSA-N 1 0 393.513 0.948 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418456795 1189791522 /nfs/dbraw/zinc/79/15/22/1189791522.db2.gz IAXJJBLLMUAGEN-ZBFHGGJFSA-N 1 0 391.497 0.702 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000418483834 1189800382 /nfs/dbraw/zinc/80/03/82/1189800382.db2.gz CHOICCKMDUFJOL-MRXNPFEDSA-N 1 0 377.470 0.311 20 30 GCEDRO C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000909330479 1189807560 /nfs/dbraw/zinc/80/75/60/1189807560.db2.gz DPWBLJILSJACOI-CQSZACIVSA-N 1 0 386.460 0.647 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000511836807 1189904452 /nfs/dbraw/zinc/90/44/52/1189904452.db2.gz ATYVXJNNRXRBJH-UHFFFAOYSA-N 1 0 381.498 0.585 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418571499 1189988304 /nfs/dbraw/zinc/98/83/04/1189988304.db2.gz JTCPYUWBKCIXAX-GOEBONIOSA-N 1 0 391.497 0.572 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)Nc1ccnn1[C@@H]1CCS(=O)(=O)C1 ZINC000614258555 1193759691 /nfs/dbraw/zinc/75/96/91/1193759691.db2.gz RHURKZRFCXUOGX-CQSZACIVSA-N 1 0 382.490 0.942 20 30 GCEDRO CC[NH+]=C(NCCc1nccs1)N1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000261717302 1193763916 /nfs/dbraw/zinc/76/39/16/1193763916.db2.gz HZIRKENBYFSEAV-KRWDZBQOSA-N 1 0 378.502 0.961 20 30 GCEDRO Cn1c(NCc2ccc(CN3CC[NH+](C)CC3)cc2)c(C#N)c(=O)n(C)c1=O ZINC000047272512 1193787078 /nfs/dbraw/zinc/78/70/78/1193787078.db2.gz IBRAMLCDSLFDFG-UHFFFAOYSA-N 1 0 382.468 0.315 20 30 GCEDRO N#Cc1ccc(CNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000419295362 1193791241 /nfs/dbraw/zinc/79/12/41/1193791241.db2.gz WTUZFVIBYKWAMS-AWEZNQCLSA-N 1 0 383.374 0.127 20 30 GCEDRO C[NH+]=C(NCc1scnc1C)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261730595 1193813043 /nfs/dbraw/zinc/81/30/43/1193813043.db2.gz JKNZFGRWJVJDFE-UHFFFAOYSA-N 1 0 398.514 0.663 20 30 GCEDRO C[NH+]=C(NC[C@]1(C)CCOC1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261764615 1193880753 /nfs/dbraw/zinc/88/07/53/1193880753.db2.gz NKFIVIHIOHSABW-INIZCTEOSA-N 1 0 385.490 0.124 20 30 GCEDRO C[NH+]=C(NCCC(=O)NC(C)(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261775882 1193889663 /nfs/dbraw/zinc/88/96/63/1193889663.db2.gz OPABZYMLGJWQFF-GOSISDBHSA-N 1 0 380.493 0.177 20 30 GCEDRO CNC(=O)C(C#N)=c1sc(=Cc2ccc(C)cn2)c(=O)n1C1CC[NH+](C)CC1 ZINC000531884417 1193891961 /nfs/dbraw/zinc/89/19/61/1193891961.db2.gz UJSITFPWEJWCMW-UHFFFAOYSA-N 1 0 397.504 0.129 20 30 GCEDRO CN1CCN(C(=O)N[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C#N)CC[N@H+](C)CC1 ZINC000894187269 1193897115 /nfs/dbraw/zinc/89/71/15/1193897115.db2.gz XAEQVZGUXIGXQS-CVEARBPZSA-N 1 0 394.520 0.634 20 30 GCEDRO CC[NH+]=C(NCc1ccc(N(C)C)nc1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261688051 1193923238 /nfs/dbraw/zinc/92/32/38/1193923238.db2.gz IETDTGMQQDWKIP-UHFFFAOYSA-N 1 0 384.488 0.695 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCCCO1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261708115 1193923486 /nfs/dbraw/zinc/92/34/86/1193923486.db2.gz GYWJANKTVHRIPC-HNNXBMFYSA-N 1 0 385.490 0.267 20 30 GCEDRO CC[NH+]=C(NCC1(SC)CCOCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261820698 1193927478 /nfs/dbraw/zinc/92/74/78/1193927478.db2.gz UJFLQKCPURAASO-UHFFFAOYSA-N 1 0 394.545 0.946 20 30 GCEDRO C[NH+]=C(NC[C@]1(O)CCc2ccccc21)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000261855659 1193929121 /nfs/dbraw/zinc/92/91/21/1193929121.db2.gz MUQWUSNWZGZWME-GHTZIAJQSA-N 1 0 386.496 0.719 20 30 GCEDRO [NH2+]=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)N1CCOCC1 ZINC000261976933 1193934262 /nfs/dbraw/zinc/93/42/62/1193934262.db2.gz GJBJMFBXDPUMLG-HNNXBMFYSA-N 1 0 382.486 0.291 20 30 GCEDRO CC[NH+]=C(NCc1nnc(C)n1C)N1CCN(c2nccn3cnnc23)[C@@H](C)C1 ZINC000261997692 1193934932 /nfs/dbraw/zinc/93/49/32/1193934932.db2.gz SWESETATSPAJSD-ZDUSSCGKSA-N 1 0 397.491 0.237 20 30 GCEDRO CC[NH+]=C(NCCN1CCN(C(C)=O)CC1)N1CCN(c2cccs2)CC1 ZINC000262000283 1193935506 /nfs/dbraw/zinc/93/55/06/1193935506.db2.gz UCKJXRNEKQRHRW-UHFFFAOYSA-N 1 0 392.573 1.000 20 30 GCEDRO [NH2+]=C(NCC(=O)N1CCCc2ccccc21)N1CCN(c2ncccn2)CC1 ZINC000262024913 1193936448 /nfs/dbraw/zinc/93/64/48/1193936448.db2.gz ZDDMFVOVRROTBZ-UHFFFAOYSA-N 1 0 379.468 0.893 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCO1)N1CCO[C@@H](c2cnn(C)c2)C1 ZINC000262274241 1193943479 /nfs/dbraw/zinc/94/34/79/1193943479.db2.gz HLRURVSPYBBNGX-HZPDHXFCSA-N 1 0 378.477 0.006 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCC(=O)N(C)C1)N[C@@H]1CCOc2ccccc21 ZINC000262302375 1193944424 /nfs/dbraw/zinc/94/44/24/1193944424.db2.gz OAMDMXITFMYBJG-GDBMZVCRSA-N 1 0 387.484 0.754 20 30 GCEDRO CN(C)C(=O)C[NH+]=C(N[C@@H]1CCOc2ccccc21)N[C@H]1CCC(=O)N(C)C1 ZINC000262302378 1193944482 /nfs/dbraw/zinc/94/44/82/1193944482.db2.gz OAMDMXITFMYBJG-GOEBONIOSA-N 1 0 387.484 0.754 20 30 GCEDRO CCC[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(c2ncccn2)CC1 ZINC000262372972 1193946589 /nfs/dbraw/zinc/94/65/89/1193946589.db2.gz IZSRVUDITBPUAW-OAHLLOKOSA-N 1 0 380.518 0.389 20 30 GCEDRO CC(C)[NH+]=C(NC[C@H]1CCS(=O)(=O)C1)N1CCN(C(=O)c2ccco2)CC1 ZINC000262392969 1193947205 /nfs/dbraw/zinc/94/72/05/1193947205.db2.gz MNJQLONCEUMYLG-OAHLLOKOSA-N 1 0 396.513 0.826 20 30 GCEDRO CCN1CCN(C(NCc2cccs2)=[NH+]C[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000262463049 1193948473 /nfs/dbraw/zinc/94/84/73/1193948473.db2.gz XVKVUZOOUGVKAR-AWEZNQCLSA-N 1 0 398.554 0.793 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CC[C@@H](COC)C1 ZINC000262459226 1193948739 /nfs/dbraw/zinc/94/87/39/1193948739.db2.gz LZONHXQHOWVZEU-MRXNPFEDSA-N 1 0 387.484 0.302 20 30 GCEDRO C=CCNC(=[NH+]C[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262471633 1193949097 /nfs/dbraw/zinc/94/90/97/1193949097.db2.gz ZDNPCACLHAESDU-AWEZNQCLSA-N 1 0 396.492 0.304 20 30 GCEDRO CNS(=O)(=O)c1cccc(CNC(=[NH+]C)N2CC[C@@H](c3cnn(C)c3)C2)c1 ZINC000262489919 1193949437 /nfs/dbraw/zinc/94/94/37/1193949437.db2.gz UMJRHVQKKQGSEB-OAHLLOKOSA-N 1 0 390.513 0.893 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262513719 1193950078 /nfs/dbraw/zinc/95/00/78/1193950078.db2.gz BZWOEYDTFACMDW-GOSISDBHSA-N 1 0 399.495 0.474 20 30 GCEDRO O=S1(=O)CC[C@@H](CNC(=[NH+]C2CC2)N2CCN(c3ccccn3)CC2)C1 ZINC000262604504 1193952360 /nfs/dbraw/zinc/95/23/60/1193952360.db2.gz ZMEMHTNQOPLTIS-HNNXBMFYSA-N 1 0 377.514 0.746 20 30 GCEDRO C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262695824 1193953678 /nfs/dbraw/zinc/95/36/78/1193953678.db2.gz XKDKKCCVINMTOK-MRXNPFEDSA-N 1 0 387.463 0.934 20 30 GCEDRO C[NH+]=C(NCCNS(C)(=O)=O)N[C@@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000262770549 1193955302 /nfs/dbraw/zinc/95/53/02/1193955302.db2.gz HOEJICXCBCXHJD-OAHLLOKOSA-N 1 0 385.509 0.817 20 30 GCEDRO CCn1nccc1[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262824563 1193956632 /nfs/dbraw/zinc/95/66/32/1193956632.db2.gz XXFYAVOHNIAGLE-DOTOQJQBSA-N 1 0 384.488 0.908 20 30 GCEDRO C[NH+]=C(NCc1ccccc1CS(=O)(=O)N1CCOCC1)N[C@@H]1C[C@H]1C ZINC000262838453 1193956807 /nfs/dbraw/zinc/95/68/07/1193956807.db2.gz TWRRKZMZWCVVTE-RHSMWYFYSA-N 1 0 380.514 0.922 20 30 GCEDRO C[NH+]=C(NCCNC(=O)c1ccc(O)cc1)N1CCO[C@H](c2cnn(C)c2)C1 ZINC000262842543 1193957011 /nfs/dbraw/zinc/95/70/11/1193957011.db2.gz UYNBUODNOAFZBN-KRWDZBQOSA-N 1 0 386.456 0.504 20 30 GCEDRO C[NH+]=C(NCC(=O)NC1CCCCC1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261806779 1194010728 /nfs/dbraw/zinc/01/07/28/1194010728.db2.gz SIZOTDDCKOLVGI-UHFFFAOYSA-N 1 0 375.477 0.093 20 30 GCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419613606 1194073656 /nfs/dbraw/zinc/07/36/56/1194073656.db2.gz LAZSZSGZSHLPMX-HOBHPSKFSA-N 1 0 385.468 0.968 20 30 GCEDRO N#Cc1cccc(CCNC(=O)C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000419703255 1194083305 /nfs/dbraw/zinc/08/33/05/1194083305.db2.gz DBGLXBPDEYHVLY-HNNXBMFYSA-N 1 0 397.401 0.169 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000419732384 1194090003 /nfs/dbraw/zinc/09/00/03/1194090003.db2.gz PFQWFHNXCDIFQM-VVLHZNOGSA-N 1 0 397.479 0.955 20 30 GCEDRO N#Cc1cccnc1OC1CCC(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000419725182 1194093614 /nfs/dbraw/zinc/09/36/14/1194093614.db2.gz GFALZOYJLYIYFK-RYTJFDOTSA-N 1 0 383.452 0.437 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)NCCC[NH2+]C3CC3)CC2)cc1 ZINC000419844538 1194120312 /nfs/dbraw/zinc/12/03/12/1194120312.db2.gz LXINLLFUOJFVTF-UHFFFAOYSA-N 1 0 383.496 0.851 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)cc1 ZINC000419896742 1194135750 /nfs/dbraw/zinc/13/57/50/1194135750.db2.gz NPCMMHDWEHHXTN-MOPGFXCFSA-N 1 0 383.496 0.979 20 30 GCEDRO C[C@@H](NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@H]1CCC[NH2+]C1 ZINC000419905262 1194137274 /nfs/dbraw/zinc/13/72/74/1194137274.db2.gz VZDSDAZKWBYCGQ-CABCVRRESA-N 1 0 387.459 0.850 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)C[C@@]12C(=O)Nc1ccccc12 ZINC000419919995 1194138645 /nfs/dbraw/zinc/13/86/45/1194138645.db2.gz BNFXLVYFTRDPOM-ARGWCVDVSA-N 1 0 381.436 0.117 20 30 GCEDRO C[C@H](C[NH3+])CNC(=O)C(=O)N1CCN(c2oc(-c3ccco3)nc2C#N)CC1 ZINC000419950453 1194143167 /nfs/dbraw/zinc/14/31/67/1194143167.db2.gz HJNLXHRZJVJMNL-GFCCVEGCSA-N 1 0 386.412 0.166 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000419936501 1194145433 /nfs/dbraw/zinc/14/54/33/1194145433.db2.gz UOIRKGXFKWPNHD-KRWDZBQOSA-N 1 0 378.436 0.418 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C[NH3+])C3CCCCC3)CC2)nc1 ZINC000419986862 1194153061 /nfs/dbraw/zinc/15/30/61/1194153061.db2.gz ZYMVTQYPACWLDC-KRWDZBQOSA-N 1 0 384.484 0.626 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000420009772 1194157187 /nfs/dbraw/zinc/15/71/87/1194157187.db2.gz DJDBKLOPVOBUDZ-ZZNFZSSBSA-N 1 0 395.463 0.492 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420023113 1194158232 /nfs/dbraw/zinc/15/82/32/1194158232.db2.gz WZMKRPHZSPHZSL-RHSMWYFYSA-N 1 0 387.459 0.980 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])CC2)cc1 ZINC000420021644 1194158271 /nfs/dbraw/zinc/15/82/71/1194158271.db2.gz UMHBEQWEXZAVBT-RTBURBONSA-N 1 0 383.496 0.836 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000420023112 1194158437 /nfs/dbraw/zinc/15/84/37/1194158437.db2.gz WZMKRPHZSPHZSL-PBHICJAKSA-N 1 0 387.459 0.980 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000420042201 1194166832 /nfs/dbraw/zinc/16/68/32/1194166832.db2.gz NGOJWMZWZJTKGA-SJLPKXTDSA-N 1 0 397.479 0.979 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000420043095 1194167665 /nfs/dbraw/zinc/16/76/65/1194167665.db2.gz RHXGVPCLXQKBPQ-WMLDXEAASA-N 1 0 388.468 0.762 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@]12c1ccccc1NC2=O ZINC000420050707 1194170381 /nfs/dbraw/zinc/17/03/81/1194170381.db2.gz VKTQOUGGEZYHKM-ZCVOSGHJSA-N 1 0 381.436 0.102 20 30 GCEDRO C[C@@]1(CNC(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CCC[NH2+]C1 ZINC000420100870 1194177913 /nfs/dbraw/zinc/17/79/13/1194177913.db2.gz KVEZFMHMENVHQO-WIYYLYMNSA-N 1 0 383.496 0.729 20 30 GCEDRO N#Cc1ccnc(N2CCN(C(=O)C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC2)c1 ZINC000420093004 1194183168 /nfs/dbraw/zinc/18/31/68/1194183168.db2.gz CLFSKOLEYGOROC-UHFFFAOYSA-N 1 0 390.447 0.521 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1OCC ZINC000982931223 1194199481 /nfs/dbraw/zinc/19/94/81/1194199481.db2.gz VAMJFHZZRKXDHU-ZJPYXAASSA-N 1 0 379.501 0.653 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000420205352 1194204757 /nfs/dbraw/zinc/20/47/57/1194204757.db2.gz IYTUCWSUKZHORD-SLFFLAALSA-N 1 0 395.507 0.707 20 30 GCEDRO N#Cc1ccccc1N1CCCN(C(=O)C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000420196469 1194208941 /nfs/dbraw/zinc/20/89/41/1194208941.db2.gz UTLHDWXDMKBFKQ-KRWDZBQOSA-N 1 0 385.468 0.092 20 30 GCEDRO O=C(NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)C(=O)N1CC(F)(F)C(F)(F)C1 ZINC000420222277 1194209626 /nfs/dbraw/zinc/20/96/26/1194209626.db2.gz RPHPJZZIVTUEHR-QMMMGPOBSA-N 1 0 394.291 0.052 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)C1=O ZINC000501624381 1194210639 /nfs/dbraw/zinc/21/06/39/1194210639.db2.gz NSMLVOOWWFPVKN-SJORKVTESA-N 1 0 376.501 0.612 20 30 GCEDRO C[NH+]=C(NC[C@]1(N2CCOCC2)CCSC1)N1CCC[C@H](CC(N)=O)C1 ZINC000261831946 1194278434 /nfs/dbraw/zinc/27/84/34/1194278434.db2.gz VPHLLYSVFUFNSX-CRAIPNDOSA-N 1 0 383.562 0.357 20 30 GCEDRO CCOC(=O)c1c(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c(C#N)cn1CC ZINC000421185081 1194303151 /nfs/dbraw/zinc/30/31/51/1194303151.db2.gz YSZLMIZHVORCIA-LBPRGKRZSA-N 1 0 377.445 0.951 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4O[C@H]3[C@H]3C[C@H]34)C2)CC1 ZINC000983056090 1194351353 /nfs/dbraw/zinc/35/13/53/1194351353.db2.gz JSCRPOZENRTHOR-LBCBGTHCSA-N 1 0 385.508 0.720 20 30 GCEDRO C=CC[NH+](CC=C)[C@@H](CNC(=O)C(=O)N1C[C@H](CO)OC(C)(C)C1)C(C)C ZINC000421742878 1194362429 /nfs/dbraw/zinc/36/24/29/1194362429.db2.gz UBVGEUGMRYABAK-SJORKVTESA-N 1 0 381.517 0.800 20 30 GCEDRO COC(=O)[C@]1(C)C[N@H+](CC(=O)N2CCN(c3oc(C)nc3C#N)CC2)C[C@H]1C ZINC000367088031 1194364903 /nfs/dbraw/zinc/36/49/03/1194364903.db2.gz ZZIZVUICDJRETJ-BFUOFWGJSA-N 1 0 389.456 0.634 20 30 GCEDRO CC[NH+]=C(NCc1cccc2c1OCO2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261850281 1194371114 /nfs/dbraw/zinc/37/11/14/1194371114.db2.gz XGGWDKCWDDMFGX-UHFFFAOYSA-N 1 0 384.440 0.963 20 30 GCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000422092688 1194389343 /nfs/dbraw/zinc/38/93/43/1194389343.db2.gz DHKSNKXUHDNYSV-IBGZPJMESA-N 1 0 383.496 0.755 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000422529818 1194662719 /nfs/dbraw/zinc/66/27/19/1194662719.db2.gz PRXBACLXIULPTG-KRWDZBQOSA-N 1 0 388.443 0.814 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCC2)cc1 ZINC000503653092 1194705321 /nfs/dbraw/zinc/70/53/21/1194705321.db2.gz OOKJODNXLYNODS-UHFFFAOYSA-N 1 0 380.470 0.254 20 30 GCEDRO C[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C[C@H]1C[NH3+] ZINC000423009864 1194716987 /nfs/dbraw/zinc/71/69/87/1194716987.db2.gz FFENEIGAHCISFG-VQIMIIECSA-N 1 0 383.496 0.646 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)CC2)cc1 ZINC000423015271 1194717413 /nfs/dbraw/zinc/71/74/13/1194717413.db2.gz QPQKRTUSUJKDPM-OALUTQOASA-N 1 0 381.480 0.413 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423017955 1194717766 /nfs/dbraw/zinc/71/77/66/1194717766.db2.gz XOAIJTMWJQPYKV-QFBILLFUSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3C[C@@H]4CC[NH2+]C[C@H]4C3)CC2)cc1 ZINC000423016518 1194717828 /nfs/dbraw/zinc/71/78/28/1194717828.db2.gz TXLHMFCQDYZTRE-OALUTQOASA-N 1 0 381.480 0.270 20 30 GCEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033419 1194720232 /nfs/dbraw/zinc/72/02/32/1194720232.db2.gz GPZAYGHHZQZLOR-LPHOPBHVSA-N 1 0 383.496 0.788 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[C@H]1[NH3+] ZINC000423039769 1194721346 /nfs/dbraw/zinc/72/13/46/1194721346.db2.gz RPBDAXXQVCVWFN-VQIMIIECSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423042655 1194721902 /nfs/dbraw/zinc/72/19/02/1194721902.db2.gz ZVSMHAOINLPWMC-WOJBJXKFSA-N 1 0 395.507 0.660 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423155485 1194732213 /nfs/dbraw/zinc/73/22/13/1194732213.db2.gz QLDAWYVLJMCHFA-IAGOWNOFSA-N 1 0 382.464 0.996 20 30 GCEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000423135462 1194732499 /nfs/dbraw/zinc/73/24/99/1194732499.db2.gz YEUHWWWBAWCULH-IBGZPJMESA-N 1 0 383.496 0.803 20 30 GCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)C1 ZINC000423207222 1194736513 /nfs/dbraw/zinc/73/65/13/1194736513.db2.gz DDQKPUDUACEDQK-MRXNPFEDSA-N 1 0 387.459 0.804 20 30 GCEDRO C=CCN(Cc1ccccc1F)C(=O)C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000423182379 1194736616 /nfs/dbraw/zinc/73/66/16/1194736616.db2.gz KGFDREXQXJUMBK-INIZCTEOSA-N 1 0 390.459 0.654 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)c(F)c1 ZINC000423212158 1194737324 /nfs/dbraw/zinc/73/73/24/1194737324.db2.gz JCIPNVAUWODQRZ-OAHLLOKOSA-N 1 0 387.459 0.933 20 30 GCEDRO C=CCN(Cc1cccc(C#N)c1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423189599 1194737917 /nfs/dbraw/zinc/73/79/17/1194737917.db2.gz PSJVSWYIDIHGCM-LJQANCHMSA-N 1 0 381.480 0.579 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000423245470 1194743381 /nfs/dbraw/zinc/74/33/81/1194743381.db2.gz IZIQEQOLSMMUDX-LJQANCHMSA-N 1 0 399.495 0.039 20 30 GCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)CC1 ZINC000423346128 1194748922 /nfs/dbraw/zinc/74/89/22/1194748922.db2.gz YKIOLCLTAKQWKO-VQIMIIECSA-N 1 0 383.496 0.809 20 30 GCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccccc3)[C@H](C#N)C2)C1 ZINC000423326674 1194749260 /nfs/dbraw/zinc/74/92/60/1194749260.db2.gz JOBHXRMSWRDYJD-RTBURBONSA-N 1 0 383.496 0.681 20 30 GCEDRO C[NH2+][C@H]1CCN(C(=O)C(=O)N2CCN(c3ccc(C#N)cc3Cl)CC2)C1 ZINC000423496712 1194761021 /nfs/dbraw/zinc/76/10/21/1194761021.db2.gz FKUNSWUDRRZPQT-AWEZNQCLSA-N 1 0 375.860 0.681 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3C[C@H](C[NH3+])C4(C3)CCOCC4)C2)cc1 ZINC000423558503 1194763665 /nfs/dbraw/zinc/76/36/65/1194763665.db2.gz JEGJFESEMXPGRQ-INIZCTEOSA-N 1 0 398.463 0.362 20 30 GCEDRO CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000423538809 1194764990 /nfs/dbraw/zinc/76/49/90/1194764990.db2.gz HEPHDZBVRKAWCZ-LSDHHAIUSA-N 1 0 387.488 0.217 20 30 GCEDRO CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423554206 1194766393 /nfs/dbraw/zinc/76/63/93/1194766393.db2.gz DUJMFZGWWWNHKN-ZUOKHONESA-N 1 0 383.452 0.302 20 30 GCEDRO CO[C@@H]1CCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@@H](C[NH3+])C1 ZINC000423628622 1194775405 /nfs/dbraw/zinc/77/54/05/1194775405.db2.gz ANZHBNJJWBRVIQ-RTBURBONSA-N 1 0 399.495 0.167 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000423641128 1194776819 /nfs/dbraw/zinc/77/68/19/1194776819.db2.gz HDZQCTBSCJDZIG-QGZVFWFLSA-N 1 0 383.452 0.685 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2CCCC[C@@H]2C[NH3+])C[C@@]12c1ccccc1NC2=O ZINC000423622157 1194777923 /nfs/dbraw/zinc/77/79/23/1194777923.db2.gz MEIFFPNKFNEUAJ-JZKQVHKSSA-N 1 0 381.436 0.198 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@@H](C)C[NH2+]1 ZINC000423655434 1194779869 /nfs/dbraw/zinc/77/98/69/1194779869.db2.gz SHWQCUWDMKHPOS-HFUQMLBGSA-N 1 0 381.436 0.067 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3CCC[C@@H]3C[NH3+])CC2)c(Cl)c1 ZINC000423657769 1194780372 /nfs/dbraw/zinc/78/03/72/1194780372.db2.gz ZUIUNIXPSUKQRR-CQSZACIVSA-N 1 0 375.860 0.810 20 30 GCEDRO CCCN(C(=O)C(=O)N1C[C@H](C#N)[C@]2(C1)c1ccccc1NC2=O)[C@@H]1CC[NH2+]C1 ZINC000423670825 1194782447 /nfs/dbraw/zinc/78/24/47/1194782447.db2.gz ZTZBEQWQQYDUDU-PDSXEYIOSA-N 1 0 395.463 0.459 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1C#N ZINC000423674197 1194784457 /nfs/dbraw/zinc/78/44/57/1194784457.db2.gz ASWQKWYTOOZAHK-KGLIPLIRSA-N 1 0 388.497 0.325 20 30 GCEDRO 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Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@H](C)[C@H]3C[NH3+])CC2)c1C#N ZINC000423743108 1194791034 /nfs/dbraw/zinc/79/10/34/1194791034.db2.gz VHTYGMXIIIQBRY-SWLSCSKDSA-N 1 0 390.513 0.558 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)[C@H]1C[NH3+] ZINC000423748061 1194791493 /nfs/dbraw/zinc/79/14/93/1194791493.db2.gz ZFKUXALLUWQEOH-APWZRJJASA-N 1 0 383.496 0.788 20 30 GCEDRO CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1 ZINC000423746845 1194791512 /nfs/dbraw/zinc/79/15/12/1194791512.db2.gz PQWRDWQATJGJFS-RTBURBONSA-N 1 0 383.496 0.823 20 30 GCEDRO C=CCNC(=O)Nc1ccc(NC(=O)C(=O)NC[C@](C)(O)C[NH+](C)C)cc1 ZINC000504515153 1194796249 /nfs/dbraw/zinc/79/62/49/1194796249.db2.gz ZQPZCDHUUIIVBH-SFHVURJKSA-N 1 0 377.445 0.361 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N2CCC(C[NH+]3CCOCC3)CC2)nn1CCC#N ZINC000504543310 1194797738 /nfs/dbraw/zinc/79/77/38/1194797738.db2.gz ZRJAWLCGXGUHHF-UHFFFAOYSA-N 1 0 388.472 0.615 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000424058723 1194801304 /nfs/dbraw/zinc/80/13/04/1194801304.db2.gz ADVGSRZUIKKKAE-CQSZACIVSA-N 1 0 386.424 0.819 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1 ZINC000424092445 1194802348 /nfs/dbraw/zinc/80/23/48/1194802348.db2.gz PCKHPNUKBVFDTC-RDJZCZTQSA-N 1 0 394.497 0.781 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000424147970 1194803999 /nfs/dbraw/zinc/80/39/99/1194803999.db2.gz ZGMYCNWDAWPXMC-CRAIPNDOSA-N 1 0 386.452 0.955 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000424147972 1194804019 /nfs/dbraw/zinc/80/40/19/1194804019.db2.gz ZGMYCNWDAWPXMC-QAPCUYQASA-N 1 0 386.452 0.955 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000549967140 1194805707 /nfs/dbraw/zinc/80/57/07/1194805707.db2.gz DFZDVKMAJCPDBD-KRWDZBQOSA-N 1 0 397.483 0.674 20 30 GCEDRO Cn1cc([C@@H]2CN(C(=O)C(=O)Nc3cc(C#N)cn3C(C)(C)C)C[C@H]2[NH3+])cn1 ZINC000424446337 1194812015 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ZWMIRMDAFJOZKY-CVEARBPZSA-N 1 0 377.445 0.287 20 30 GCEDRO N#Cc1ccsc1N1CC[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1=O ZINC000434874580 1194874769 /nfs/dbraw/zinc/87/47/69/1194874769.db2.gz QCIQEVSZGHFNNM-QGZVFWFLSA-N 1 0 391.541 0.705 20 30 GCEDRO C[C@H](C#N)CN(C)S(=O)(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000282633785 1194888106 /nfs/dbraw/zinc/88/81/06/1194888106.db2.gz KQPGUMUKZDVTNA-CQSZACIVSA-N 1 0 381.502 0.404 20 30 GCEDRO N#Cc1ccccc1S(=O)(=O)N1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000514850250 1194920485 /nfs/dbraw/zinc/92/04/85/1194920485.db2.gz QNUFPQJKHRZGHB-OAHLLOKOSA-N 1 0 391.497 0.574 20 30 GCEDRO N#Cc1cnc2ccccc2c1N1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000515005543 1194937221 /nfs/dbraw/zinc/93/72/21/1194937221.db2.gz VAUQZDLBRMKPPQ-INIZCTEOSA-N 1 0 380.452 0.926 20 30 GCEDRO COCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(C#N)c2)CC1 ZINC000515021403 1194937528 /nfs/dbraw/zinc/93/75/28/1194937528.db2.gz YFLVNAQQCZPQCX-UHFFFAOYSA-N 1 0 380.470 0.064 20 30 GCEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CC2(N3CCOCC3)CCOCC2)cc1 ZINC000515166388 1194951405 /nfs/dbraw/zinc/95/14/05/1194951405.db2.gz NKCYZXLOBFBKSL-LJQANCHMSA-N 1 0 389.496 0.963 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000515233100 1194959240 /nfs/dbraw/zinc/95/92/40/1194959240.db2.gz NLRJSOFGOXJWEI-LSDHHAIUSA-N 1 0 385.443 0.414 20 30 GCEDRO C=C(C(=O)N1CCN(CC[NH+](C)C)C[C@@]2(CCCC(=O)N2)C1)C(F)(F)F ZINC001270008434 1194962834 /nfs/dbraw/zinc/96/28/34/1194962834.db2.gz SYXGNEJFHVYIAH-INIZCTEOSA-N 1 0 376.423 0.850 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)n2)c(F)c1 ZINC000516195032 1195030308 /nfs/dbraw/zinc/03/03/08/1195030308.db2.gz IBFZQYXKTYDDCQ-JSGCOSHPSA-N 1 0 383.387 0.659 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2c3ccccc3CC[C@H]2C[NH+](C)C)C1=O ZINC000436727276 1195031629 /nfs/dbraw/zinc/03/16/29/1195031629.db2.gz YKHSJGKBJRVEBX-HNNXBMFYSA-N 1 0 384.436 0.873 20 30 GCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCC#N)cc1 ZINC000516491579 1195057071 /nfs/dbraw/zinc/05/70/71/1195057071.db2.gz BVCMVFYDDZFLEB-LRDDRELGSA-N 1 0 398.510 0.249 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000516744618 1195091165 /nfs/dbraw/zinc/09/11/65/1195091165.db2.gz WKAVBISBLZROQO-AWEZNQCLSA-N 1 0 394.497 0.629 20 30 GCEDRO CNC(=O)C(C#N)=c1sc(=Cc2ccsc2)c(=O)n1C1CC[NH+](C)CC1 ZINC000516827582 1195103342 /nfs/dbraw/zinc/10/33/42/1195103342.db2.gz CHDNWFSSKVRNLA-UHFFFAOYSA-N 1 0 388.518 0.487 20 30 GCEDRO N#CCc1ccc(OC[C@H](O)C[NH2+]CCNS(=O)(=O)c2cccnc2)cc1 ZINC000516863184 1195106219 /nfs/dbraw/zinc/10/62/19/1195106219.db2.gz WWTKFRKBXDEVPV-MRXNPFEDSA-N 1 0 390.465 0.455 20 30 GCEDRO C[C@H](C#N)S(=O)(=O)c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000516871137 1195107447 /nfs/dbraw/zinc/10/74/47/1195107447.db2.gz AEMLDNCLAWTCHG-GFCCVEGCSA-N 1 0 378.454 0.521 20 30 GCEDRO 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HZBFTSKYHYYYGY-UHFFFAOYSA-N 1 0 377.489 0.113 20 30 GCEDRO C=CCNC(=O)c1cccc(S(=O)(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000440333474 1195407176 /nfs/dbraw/zinc/40/71/76/1195407176.db2.gz BQNNVDBFOASHEC-OAHLLOKOSA-N 1 0 394.497 0.078 20 30 GCEDRO COCCN(C)S(=O)(=O)[C@@H]1CCCN(Cc2cnc3c(C#N)cnn3c2)C1 ZINC000519604240 1195515745 /nfs/dbraw/zinc/51/57/45/1195515745.db2.gz CSVHKBWOWALOPB-MRXNPFEDSA-N 1 0 392.485 0.473 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)NCCc2ccc(OC)c(S(N)(=O)=O)c2)CC1 ZINC000507401641 1195519555 /nfs/dbraw/zinc/51/95/55/1195519555.db2.gz FPWIBEWVBYBRQF-UHFFFAOYSA-N 1 0 396.513 0.835 20 30 GCEDRO N#Cc1ncn(-c2ccccc2NC(=O)C(=O)NCCNc2cc[nH+]cc2)n1 ZINC000519731136 1195566873 /nfs/dbraw/zinc/56/68/73/1195566873.db2.gz HLCVMIQHBQDWIF-UHFFFAOYSA-N 1 0 376.380 0.123 20 30 GCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc(C)c(S(=O)(=O)NCC#N)c1 ZINC000440647354 1195571252 /nfs/dbraw/zinc/57/12/52/1195571252.db2.gz UVCNRFAJHACVCY-MRXNPFEDSA-N 1 0 396.513 0.884 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)CNS(=O)(=O)c2ccc(C)cc2)c1C#N ZINC000519855814 1195577956 /nfs/dbraw/zinc/57/79/56/1195577956.db2.gz GEXMPAXNLHHZIT-UHFFFAOYSA-N 1 0 390.469 0.659 20 30 GCEDRO CCc1nnc(N2CCN(C3CC3)[C@H](C#N)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001709142905 1195642488 /nfs/dbraw/zinc/64/24/88/1195642488.db2.gz QUPPSSVYOPXKTI-ZWKOTPCHSA-N 1 0 387.532 0.864 20 30 GCEDRO CCS(=O)(=O)N1CC(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000328634663 1195656775 /nfs/dbraw/zinc/65/67/75/1195656775.db2.gz BOZOZHNOYICYHX-HNNXBMFYSA-N 1 0 388.534 0.226 20 30 GCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000328647784 1195657204 /nfs/dbraw/zinc/65/72/04/1195657204.db2.gz ADRXWLJBGJENFN-OAHLLOKOSA-N 1 0 387.550 0.036 20 30 GCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)N1CCC(S(=O)(=O)N2CCCC2)CC1 ZINC000328647779 1195657228 /nfs/dbraw/zinc/65/72/28/1195657228.db2.gz ADRXWLJBGJENFN-HNNXBMFYSA-N 1 0 387.550 0.036 20 30 GCEDRO C[NH+]1CCN(c2ccc(CNC(=O)N3CC[C@@H](S(C)(=O)=O)C3)cn2)CC1 ZINC000328720782 1195659798 /nfs/dbraw/zinc/65/97/98/1195659798.db2.gz QUVRBMZGHDKAIF-OAHLLOKOSA-N 1 0 381.502 0.366 20 30 GCEDRO CN(CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)S(=O)(=O)c1cccnc1 ZINC000328733766 1195665488 /nfs/dbraw/zinc/66/54/88/1195665488.db2.gz YDWKMNPGNVIBHG-UHFFFAOYSA-N 1 0 383.518 0.685 20 30 GCEDRO CS(=O)(=O)N1CC[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328789319 1195667485 /nfs/dbraw/zinc/66/74/85/1195667485.db2.gz KQQATSDGXLTRKV-OAHLLOKOSA-N 1 0 388.534 0.417 20 30 GCEDRO CS(=O)(=O)N1CC[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000328789318 1195667831 /nfs/dbraw/zinc/66/78/31/1195667831.db2.gz KQQATSDGXLTRKV-HNNXBMFYSA-N 1 0 388.534 0.417 20 30 GCEDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000328802281 1195669310 /nfs/dbraw/zinc/66/93/10/1195669310.db2.gz JQCPZNWDHPKTKB-MSOLQXFVSA-N 1 0 395.548 0.497 20 30 GCEDRO CC[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(=O)N1CCOCC1 ZINC000328835802 1195669730 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PMSOYXBOMFILJP-CYBMUJFWSA-N 1 0 384.502 0.698 20 30 GCEDRO C[C@H](CC[NH+](C)C)NC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC000331121099 1195720255 /nfs/dbraw/zinc/72/02/55/1195720255.db2.gz OSJRCPGFEQDOSU-CYBMUJFWSA-N 1 0 385.490 0.769 20 30 GCEDRO CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)NCCNS(C)(=O)=O ZINC000331187983 1195723295 /nfs/dbraw/zinc/72/32/95/1195723295.db2.gz JYLIJIVOGGTFES-DZGCQCFKSA-N 1 0 386.522 0.198 20 30 GCEDRO CNS(=O)(=O)c1ccc(NC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)nc1 ZINC000331194681 1195723414 /nfs/dbraw/zinc/72/34/14/1195723414.db2.gz YIKHTHBBBXGDSY-CYBMUJFWSA-N 1 0 385.490 0.672 20 30 GCEDRO CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1 ZINC000331200430 1195723500 /nfs/dbraw/zinc/72/35/00/1195723500.db2.gz WOBLCLPGDSIYOW-CQSZACIVSA-N 1 0 383.493 0.763 20 30 GCEDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN(S(=O)(=O)CC(C)(C)CC#N)CC2)C1 ZINC000331313307 1195726959 /nfs/dbraw/zinc/72/69/59/1195726959.db2.gz IEDYVFVQTPZAMB-KRWDZBQOSA-N 1 0 386.562 0.983 20 30 GCEDRO CC1CC[NH+](C2CCC(NC(=O)NCCNS(=O)(=O)N(C)C)CC2)CC1 ZINC000331354240 1195729770 /nfs/dbraw/zinc/72/97/70/1195729770.db2.gz PMHYFAVELRGXMJ-UHFFFAOYSA-N 1 0 389.566 0.929 20 30 GCEDRO CN1CC[NH+](CCCCNC(=O)N2CCN(c3ccc(C#N)cn3)CC2)CC1 ZINC000520472626 1195750618 /nfs/dbraw/zinc/75/06/18/1195750618.db2.gz MOSBHZXQOAOACO-UHFFFAOYSA-N 1 0 385.516 0.812 20 30 GCEDRO CCO[C@@H]1C[C@](CO)([NH2+]CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)C1(C)C ZINC000189960417 1195754622 /nfs/dbraw/zinc/75/46/22/1195754622.db2.gz KLJGWCVAKKUORM-SQGPQFPESA-N 1 0 380.533 0.834 20 30 GCEDRO CN1c2ccc(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)cc2OCC1=O ZINC000520492926 1195766926 /nfs/dbraw/zinc/76/69/26/1195766926.db2.gz URIBJLNHNBIDGM-UHFFFAOYSA-N 1 0 387.440 0.674 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)CC1 ZINC000180696305 1195769331 /nfs/dbraw/zinc/76/93/31/1195769331.db2.gz NYTPRVDKDMDDND-UXHICEINSA-N 1 0 391.560 0.865 20 30 GCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000427719916 1195870355 /nfs/dbraw/zinc/87/03/55/1195870355.db2.gz MAXMBLIJJGLSOP-OAHLLOKOSA-N 1 0 376.461 0.067 20 30 GCEDRO C[C@H](O)C[N@H+](CC(=O)N1CCN([C@@H](C#N)c2cccs2)CC1)[C@@H](C)CO ZINC000190935741 1195930412 /nfs/dbraw/zinc/93/04/12/1195930412.db2.gz YDNLXBZRJJWKEA-JYJNAYRXSA-N 1 0 380.514 0.521 20 30 GCEDRO N#Cc1ccc(OC[C@H](O)C[N@@H+]2CCCN(CC(=O)N3CCCC3)CC2)cc1 ZINC000025951490 1195937214 /nfs/dbraw/zinc/93/72/14/1195937214.db2.gz IVCBQDGEUSNDIS-LJQANCHMSA-N 1 0 386.496 0.928 20 30 GCEDRO C=CCNC(=O)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1OC[C@@H]2COCC[C@H]12 ZINC001482452898 1196008549 /nfs/dbraw/zinc/00/85/49/1196008549.db2.gz IPFIFEYMPUMYKC-MJQMVNBJSA-N 1 0 379.501 0.701 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCCNC(=O)OC(C)(C)C)C1 ZINC000142401161 1196011632 /nfs/dbraw/zinc/01/16/32/1196011632.db2.gz PAEFVFAHAOTKTN-CABCVRRESA-N 1 0 380.489 0.477 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](CCN2CCCS2(=O)=O)[C@@H]1CC ZINC001087732238 1196069529 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375.473 0.663 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000329079294 1196161836 /nfs/dbraw/zinc/16/18/36/1196161836.db2.gz QUFJOBUMKMWUJJ-FHWLQOOXSA-N 1 0 377.533 0.474 20 30 GCEDRO C[NH+](C)CCN1CCC(NC(=O)N2CCC(C(=O)N3CCOCC3)CC2)CC1 ZINC000329103541 1196163724 /nfs/dbraw/zinc/16/37/24/1196163724.db2.gz GBVUTVDQGLMEDO-UHFFFAOYSA-N 1 0 395.548 0.497 20 30 GCEDRO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC1CCN(S(C)(=O)=O)CC1 ZINC000329116727 1196165630 /nfs/dbraw/zinc/16/56/30/1196165630.db2.gz NNDWSFKIRGXKKB-UHFFFAOYSA-N 1 0 389.566 0.282 20 30 GCEDRO C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCN(C)[C@@H](c2nc(C3CC3)no2)C1 ZINC000329148913 1196168471 /nfs/dbraw/zinc/16/84/71/1196168471.db2.gz YNKALPNBPXXRKM-GDBMZVCRSA-N 1 0 391.520 0.785 20 30 GCEDRO C[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CCN1S(C)(=O)=O ZINC000329300986 1196183743 /nfs/dbraw/zinc/18/37/43/1196183743.db2.gz VONDBFPWFQTSRS-HNNXBMFYSA-N 1 0 388.534 0.511 20 30 GCEDRO CN1CC[C@H]([NH+]2CCC(NC(=O)CNC(=O)c3ccc(C#N)cc3)CC2)C1=O ZINC000329336830 1196186814 /nfs/dbraw/zinc/18/68/14/1196186814.db2.gz PLBXVDGDHXHDFT-KRWDZBQOSA-N 1 0 383.452 0.940 20 30 GCEDRO C[C@@H]1C[C@H](NC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC[N@@H+]1C ZINC000329346236 1196187931 /nfs/dbraw/zinc/18/79/31/1196187931.db2.gz RGUJGIMEAHCAMJ-OAGGEKHMSA-N 1 0 388.534 0.510 20 30 GCEDRO CC(C)[C@H](C#N)N1CCN(C(=O)C[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000329357808 1196188277 /nfs/dbraw/zinc/18/82/77/1196188277.db2.gz HISAPGYPOKDOFW-ROUUACIJSA-N 1 0 375.517 0.623 20 30 GCEDRO C[N@@H+]1CCC[C@H]1C(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000329384285 1196191351 /nfs/dbraw/zinc/19/13/51/1196191351.db2.gz RPFSSFXUTJPJQH-AWEZNQCLSA-N 1 0 381.454 0.881 20 30 GCEDRO C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CCO1 ZINC000329465206 1196198444 /nfs/dbraw/zinc/19/84/44/1196198444.db2.gz UZUQIWYYQZZZFO-QGZVFWFLSA-N 1 0 381.521 0.107 20 30 GCEDRO 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1197561050 /nfs/dbraw/zinc/56/10/50/1197561050.db2.gz XJRPOTNWZPVUEZ-KRWDZBQOSA-N 1 0 387.484 0.485 20 30 GCEDRO C=CCS(=O)(=O)CCNC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000272871938 1197565039 /nfs/dbraw/zinc/56/50/39/1197565039.db2.gz SVTSGRLSSKUEMR-UHFFFAOYSA-N 1 0 396.513 0.378 20 30 GCEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000282298603 1198963783 /nfs/dbraw/zinc/96/37/83/1198963783.db2.gz LRGPVKKLPWLVEK-NXHRZFHOSA-N 1 0 380.514 0.938 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N2CCN(C(=O)NC(C)(C)C)CC2)CC1 ZINC000672355212 1199216805 /nfs/dbraw/zinc/21/68/05/1199216805.db2.gz AVRDKUKJBZFDEV-UHFFFAOYSA-N 1 0 379.505 0.405 20 30 GCEDRO C[NH2+]C[C@@H](C)CNC(=O)C(=O)N1CCN(c2c(C#N)cnc3ccccc32)CC1 ZINC000419951748 1199353096 /nfs/dbraw/zinc/35/30/96/1199353096.db2.gz NSIIACIPQMRQBI-OAHLLOKOSA-N 1 0 394.479 0.727 20 30 GCEDRO C[NH+](C)CCN1C[C@@H](C(=O)N2CCN(c3ccc(C#N)cc3F)CC2)CC1=O ZINC000114179070 1199375813 /nfs/dbraw/zinc/37/58/13/1199375813.db2.gz YXTJSAZJVQVAIF-INIZCTEOSA-N 1 0 387.459 0.756 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3CC[C@]4(CCC[NH2+]4)C3)CC2)cc1 ZINC000423042701 1199462754 /nfs/dbraw/zinc/46/27/54/1199462754.db2.gz ZXVZWSFIOIMJKB-JOCHJYFZSA-N 1 0 395.507 0.947 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cnnc(C)c2)CC1 ZINC001003365416 1199513898 /nfs/dbraw/zinc/51/38/98/1199513898.db2.gz MDQSQARLWNCDAU-QRVBRYPASA-N 1 0 381.480 0.992 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnnc2C)CC1 ZINC001003365881 1199514390 /nfs/dbraw/zinc/51/43/90/1199514390.db2.gz QTPKJIJYNSPQFM-QRQLOZEOSA-N 1 0 381.480 0.992 20 30 GCEDRO N#C[C@H]1CN(S(=O)(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCO1 ZINC000499669387 1199541644 /nfs/dbraw/zinc/54/16/44/1199541644.db2.gz UIVUVOUHEVBZJD-KSZLIROESA-N 1 0 392.481 0.041 20 30 GCEDRO CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)N1CCN(c2oc(C)nc2C#N)CC1 ZINC000543188807 1199571657 /nfs/dbraw/zinc/57/16/57/1199571657.db2.gz XWWPKNTYLYEVIH-ZDUSSCGKSA-N 1 0 377.445 0.777 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000673513764 1199727772 /nfs/dbraw/zinc/72/77/72/1199727772.db2.gz FOOPMKQLJNIPNI-HOTGVXAUSA-N 1 0 379.482 0.432 20 30 GCEDRO O=C(C#Cc1ccc2c(c1)OCO2)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000922343468 1199734140 /nfs/dbraw/zinc/73/41/40/1199734140.db2.gz JFTSWVFLNRYGES-SFHVURJKSA-N 1 0 385.464 0.680 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)CN(C)CCNC(=O)C(C)C)CC2)o1 ZINC000157289218 1199915499 /nfs/dbraw/zinc/91/54/99/1199915499.db2.gz IAZJEYMLTWSJRJ-UHFFFAOYSA-N 1 0 376.461 0.207 20 30 GCEDRO C#CCOc1ncccc1C(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001004720628 1199917417 /nfs/dbraw/zinc/91/74/17/1199917417.db2.gz AXVBOBOQOVHDEN-IDCNUPLLSA-N 1 0 382.464 0.907 20 30 GCEDRO C#CCN1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2C)CC1 ZINC000282460939 1199966977 /nfs/dbraw/zinc/96/69/77/1199966977.db2.gz LMVQRWLRKVDZQY-UHFFFAOYSA-N 1 0 393.539 0.935 20 30 GCEDRO C=CCN1CC[C@@H]([NH2+]C2(CNC(=O)[C@@H]3OC[C@@H]4COCC[C@H]34)CCC2)C1=O ZINC001273129953 1200137826 /nfs/dbraw/zinc/13/78/26/1200137826.db2.gz WNKCQJKDGOVTDT-MWDXBVQZSA-N 1 0 377.485 0.453 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)c2occc2C[NH+](C)C)C[C@H]1OC ZINC000946818946 1200174962 /nfs/dbraw/zinc/17/49/62/1200174962.db2.gz RRZWWNLEEWTGPJ-WCXIOVBPSA-N 1 0 391.468 0.888 20 30 GCEDRO C[C@H](CC#N)N(C)S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000509222076 1200205152 /nfs/dbraw/zinc/20/51/52/1200205152.db2.gz GESNEQUNJNBIOT-WBVHZDCISA-N 1 0 395.529 0.344 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)NCC[NH+]2CCC(OC)CC2)c1 ZINC000674310671 1200218629 /nfs/dbraw/zinc/21/86/29/1200218629.db2.gz IASKDGCMBYPARP-UHFFFAOYSA-N 1 0 381.498 0.992 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H](NC(=O)[C@@H]3CCO[C@H]3C=C)[C@H](OC)C2)CC1 ZINC000946820414 1200270442 /nfs/dbraw/zinc/27/04/42/1200270442.db2.gz VOWKCKLCCSDNOE-AKHDSKFASA-N 1 0 389.496 0.265 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccn(-c3ncccc3F)n2)CC1 ZINC000366933202 1200601470 /nfs/dbraw/zinc/60/14/70/1200601470.db2.gz RTFFTCCTFHLEHH-UHFFFAOYSA-N 1 0 386.431 1.502 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)Nc2ncn(Cc3ccc(C#N)cc3)n2)CC1 ZINC000491118219 1200606714 /nfs/dbraw/zinc/60/67/14/1200606714.db2.gz BTXGUFXKXSHTOF-UHFFFAOYSA-N 1 0 393.451 0.903 20 30 GCEDRO C=CCNC(=O)c1ccc(NC(=O)C(=O)Nc2ccn(CC[NH+](C)C)n2)cc1 ZINC000564473952 1200609122 /nfs/dbraw/zinc/60/91/22/1200609122.db2.gz OZCWXEWJGHOSTE-UHFFFAOYSA-N 1 0 384.440 0.938 20 30 GCEDRO C[NH+](C)CCn1ccc(NC(=O)C(=O)N2CCC(C#N)(c3ccccn3)CC2)n1 ZINC000548900001 1200635225 /nfs/dbraw/zinc/63/52/25/1200635225.db2.gz IAWRDVJCRWIYDZ-UHFFFAOYSA-N 1 0 395.467 0.862 20 30 GCEDRO CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1 ZINC000377032456 1200658912 /nfs/dbraw/zinc/65/89/12/1200658912.db2.gz UMROFIBCJMJWLC-UHFFFAOYSA-N 1 0 384.415 1.374 20 30 GCEDRO C[NH+]1CCC(n2ccc(NC(=O)NC3CCN(S(C)(=O)=O)CC3)n2)CC1 ZINC000330271898 1200671559 /nfs/dbraw/zinc/67/15/59/1200671559.db2.gz WSSMCKLMYUNEGG-UHFFFAOYSA-N 1 0 384.506 0.900 20 30 GCEDRO N#Cc1cc2c(nc1NCCC(=O)N1CCN(c3ccccn3)CC1)CCOC2 ZINC000450292718 1200684142 /nfs/dbraw/zinc/68/41/42/1200684142.db2.gz IOXGEJAJYSHXQL-UHFFFAOYSA-N 1 0 392.463 1.572 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)n2)c(F)c1 ZINC000415582985 1200686023 /nfs/dbraw/zinc/68/60/23/1200686023.db2.gz IQVYYKSCFVWKHC-YDHLFZDLSA-N 1 0 382.399 1.017 20 30 GCEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4F)n3)C2)C1 ZINC000581741567 1200686751 /nfs/dbraw/zinc/68/67/51/1200686751.db2.gz YVCWKKSBBFFOLU-FQEVSTJZSA-N 1 0 396.426 1.376 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)c1C#N ZINC000534055954 1200727735 /nfs/dbraw/zinc/72/77/35/1200727735.db2.gz GFMIKMUCPUAELV-SNVBAGLBSA-N 1 0 396.498 0.800 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)c1C#N ZINC000604285381 1200729376 /nfs/dbraw/zinc/72/93/76/1200729376.db2.gz DEJHZUIGVHSACN-UHFFFAOYSA-N 1 0 390.469 0.936 20 30 GCEDRO CC(C)[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C(=O)N1CCOCC1 ZINC000330234592 1200758585 /nfs/dbraw/zinc/75/85/85/1200758585.db2.gz YKZJYIHQDGKURD-KRWDZBQOSA-N 1 0 392.504 1.359 20 30 GCEDRO Cc1cc(NC(=O)C(=O)N2CCC([N@H+]3CCO[C@@H](C)C3)CC2)nn1CCC#N ZINC000504095331 1200776369 /nfs/dbraw/zinc/77/63/69/1200776369.db2.gz FRBWFCAZCJILKR-HNNXBMFYSA-N 1 0 388.472 0.755 20 30 GCEDRO CC[NH+](CC)CCCNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460607148 1200884220 /nfs/dbraw/zinc/88/42/20/1200884220.db2.gz FCARHPISLGYYQL-UHFFFAOYSA-N 1 0 383.456 1.234 20 30 GCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1nn(-c2ccc(C#N)cn2)cc1C ZINC000460585485 1200898970 /nfs/dbraw/zinc/89/89/70/1200898970.db2.gz UKQWIAIGJMAGEF-OAHLLOKOSA-N 1 0 381.440 0.986 20 30 GCEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CC/N=C1/NS(=O)(=O)c2ccccc21 ZINC000923313093 1200940743 /nfs/dbraw/zinc/94/07/43/1200940743.db2.gz SYNJLIADZXECEA-UONOGXRCSA-N 1 0 376.482 0.810 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000599887782 1200967810 /nfs/dbraw/zinc/96/78/10/1200967810.db2.gz DRJOWEPLOALYGT-OAHLLOKOSA-N 1 0 381.440 0.842 20 30 GCEDRO Cc1cn(-c2ccc(C#N)cn2)nc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000593764966 1200968698 /nfs/dbraw/zinc/96/86/98/1200968698.db2.gz HZIUDKCWRYEKQB-UHFFFAOYSA-N 1 0 381.440 0.892 20 30 GCEDRO C[C@@H](CNC(=O)C(=O)Nc1ccn(-c2ccc(C#N)cc2F)n1)[N@H+](C)C1CC1 ZINC000374648742 1201053568 /nfs/dbraw/zinc/05/35/68/1201053568.db2.gz RAHYBSYXYDWZMK-LBPRGKRZSA-N 1 0 384.415 1.420 20 30 GCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)cc1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000481230945 1201064356 /nfs/dbraw/zinc/06/43/56/1201064356.db2.gz LINDXZSNBQQYQC-CYBMUJFWSA-N 1 0 390.469 0.622 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)c2ccc(=O)[nH]c2)C3)CC1 ZINC001006134027 1201077680 /nfs/dbraw/zinc/07/76/80/1201077680.db2.gz JJKGUONEFUYAJB-KURKYZTESA-N 1 0 382.464 0.994 20 30 GCEDRO COc1ccc(CNC(=O)C[N@H+](C)CCCc2[nH]nc(N)c2C#N)cc1OC ZINC000556344524 1201081256 /nfs/dbraw/zinc/08/12/56/1201081256.db2.gz KCTHUSIUXAULOU-UHFFFAOYSA-N 1 0 386.456 1.062 20 30 GCEDRO CN(CCCc1[nH]nc(N)c1C#N)C(=O)C(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000575868641 1201098150 /nfs/dbraw/zinc/09/81/50/1201098150.db2.gz GLAXTBWPHLBJOU-KRWDZBQOSA-N 1 0 395.467 0.339 20 30 GCEDRO C#CCN1CCC[C@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000923562015 1201131043 /nfs/dbraw/zinc/13/10/43/1201131043.db2.gz BPPLDHCXZIVKAL-RDJZCZTQSA-N 1 0 394.516 0.866 20 30 GCEDRO C#CCN1CCC[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)C1 ZINC000923562018 1201131299 /nfs/dbraw/zinc/13/12/99/1201131299.db2.gz BPPLDHCXZIVKAL-WBVHZDCISA-N 1 0 394.516 0.866 20 30 GCEDRO C[C@H](CNC(=O)C(=O)N(C)CCCc1[nH]nc(N)c1C#N)[NH+]1CCC(C)CC1 ZINC000586827760 1201138921 /nfs/dbraw/zinc/13/89/21/1201138921.db2.gz BQQBXKZCJQTQIJ-CQSZACIVSA-N 1 0 389.504 0.491 20 30 GCEDRO C#CCN1CCC[C@@H](NC(=O)CCNS(=O)(=O)c2cccc(C(C)=O)c2)C1 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/nfs/dbraw/zinc/53/93/91/1205539391.db2.gz KDRLRSFUBWNUKQ-OVWQWFNUSA-N 1 0 387.484 0.888 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCc1nnc([C@H]2CCO[C@H]2C[NH2+]CCOC)[nH]1 ZINC001130242276 1205539507 /nfs/dbraw/zinc/53/95/07/1205539507.db2.gz PFWAQBHWNAOUDN-JKQORVJESA-N 1 0 393.488 0.511 20 30 GCEDRO C[NH+]1CCC(N2CC[C@@H](NC(=O)C(=O)NCc3cc(C#N)ccc3F)C2)CC1 ZINC000806210153 1205551500 /nfs/dbraw/zinc/55/15/00/1205551500.db2.gz KQWPPYQMHTWHRQ-MRXNPFEDSA-N 1 0 387.459 0.598 20 30 GCEDRO Cn1cnc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C(C)(C)C)C[C@H]2[NH2+]CC(=O)NCC#N)c1 ZINC001130624125 1205556379 /nfs/dbraw/zinc/55/63/79/1205556379.db2.gz LQQGMCHPBRUNJX-JYYAWHABSA-N 1 0 386.500 0.626 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1C[C@@H](c2cn(C)cn2)[C@H]([NH2+]CCOCCOC)C1 ZINC001130680174 1205559709 /nfs/dbraw/zinc/55/97/09/1205559709.db2.gz DPAXTHAQSYSROL-JFRXWTBNSA-N 1 0 392.500 0.558 20 30 GCEDRO C=CC[NH2+]C[C@@H]1CC[C@H](c2n[nH]c(CNC(=O)[C@H]3C[C@@H](C)CC(=O)N3)n2)O1 ZINC001130783437 1205570285 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UZBSXQSCSDIWIK-OAHLLOKOSA-N 1 0 388.468 0.800 20 30 GCEDRO Cn1ncc2c1nc(NN=C1c3ccccc3N(CC[NH+](C)C)C1=O)[nH]c2=O ZINC000807973378 1205595239 /nfs/dbraw/zinc/59/52/39/1205595239.db2.gz QDDBCTBKEXFJSV-UHFFFAOYSA-N 1 0 380.412 0.793 20 30 GCEDRO C=CCNS(=O)(=O)c1cc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)ccc1F ZINC000808157897 1205600625 /nfs/dbraw/zinc/60/06/25/1205600625.db2.gz RACTYSHUFHJGTH-LSDHHAIUSA-N 1 0 397.472 0.571 20 30 GCEDRO C[NH+](C)CCOc1cc(CNC(=O)C(=O)NCc2cc(C#N)ccc2F)ccn1 ZINC000808336709 1205606142 /nfs/dbraw/zinc/60/61/42/1205606142.db2.gz ZONVTIWSJUBGPI-UHFFFAOYSA-N 1 0 399.426 0.965 20 30 GCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2OCC[C@H]2C)CC1 ZINC001131564734 1205618516 /nfs/dbraw/zinc/61/85/16/1205618516.db2.gz SMVUEJPGKUDXDZ-JZGRTCEGSA-N 1 0 377.485 0.147 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[C@H]1CCCO1 ZINC000809305754 1205621501 /nfs/dbraw/zinc/62/15/01/1205621501.db2.gz ITUBVHXJXNOOKQ-RTBURBONSA-N 1 0 390.528 0.300 20 30 GCEDRO C#C[C@H](NC(=O)C(=O)N(CC[NH+](C)C)Cc1cccc(OC)c1)[C@@H]1CCCO1 ZINC000809308246 1205621647 /nfs/dbraw/zinc/62/16/47/1205621647.db2.gz GWJSCSVDIQYQGL-OALUTQOASA-N 1 0 387.480 0.882 20 30 GCEDRO COc1ccc(CNC(=O)C(=O)N2CCC(OCC[NH+](C)C)CC2)cc1C#N ZINC000809502750 1205626310 /nfs/dbraw/zinc/62/63/10/1205626310.db2.gz NNURJAUEXOQDHX-UHFFFAOYSA-N 1 0 388.468 0.752 20 30 GCEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)C[NH+]1CCCC1)C2 ZINC001110103190 1205628466 /nfs/dbraw/zinc/62/84/66/1205628466.db2.gz IYLGMYVNUMJZPQ-WCVJEAGWSA-N 1 0 377.489 0.204 20 30 GCEDRO NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)CCC2 ZINC000810225566 1205635153 /nfs/dbraw/zinc/63/51/53/1205635153.db2.gz HLIOWMAGDWHWEH-ZDBRSUKYSA-N 1 0 390.465 0.827 20 30 GCEDRO C#CCC[NH+]1CCC(NC(=O)CNS(=O)(=O)c2cccc(C(C)=O)c2)CC1 ZINC000810428284 1205637921 /nfs/dbraw/zinc/63/79/21/1205637921.db2.gz AERPQLHBMGHASD-UHFFFAOYSA-N 1 0 391.493 0.771 20 30 GCEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N2CCC(C(=O)OCC)CC2)CC1 ZINC000747820431 1205668721 /nfs/dbraw/zinc/66/87/21/1205668721.db2.gz VWYPSCCSWIODNQ-HNNXBMFYSA-N 1 0 377.485 0.638 20 30 GCEDRO C#CCN1CCN(C(=O)C[N@@H+](C)[C@@H](CNC(=O)OC(C)(C)C)C2CC2)CC1 ZINC000812835659 1205669440 /nfs/dbraw/zinc/66/94/40/1205669440.db2.gz UBGHOSJBKNGPSE-KRWDZBQOSA-N 1 0 378.517 0.999 20 30 GCEDRO C#CCNC(=O)C1CCN(C(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000747854110 1205675315 /nfs/dbraw/zinc/67/53/15/1205675315.db2.gz FUBVWRHWNCJOQO-UHFFFAOYSA-N 1 0 398.511 0.504 20 30 GCEDRO C#CCNC(=O)C1CC[NH+](CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)OC)CC1 ZINC000747968404 1205694895 /nfs/dbraw/zinc/69/48/95/1205694895.db2.gz DSFCUDWYVIFLDP-LJQANCHMSA-N 1 0 397.475 0.574 20 30 GCEDRO C#CCNC(=O)C1CCN(C(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)CC1 ZINC000747981460 1205696140 /nfs/dbraw/zinc/69/61/40/1205696140.db2.gz PUKWELOXHYGHDE-SFHVURJKSA-N 1 0 377.533 0.429 20 30 GCEDRO CC(C)(O)CN1CC[C@H](NC(=O)CS(=O)(=O)Cc2ccc(C#N)cc2)C1 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/nfs/dbraw/zinc/71/95/43/1205719543.db2.gz ITUDTXGBSKFNFZ-QHSYURCPSA-N 1 0 383.489 0.661 20 30 GCEDRO N#Cc1ccc(C(=O)N2CCC([NH2+]CCNC(=O)N3CCOCC3)CC2)cc1 ZINC001173423593 1205720731 /nfs/dbraw/zinc/72/07/31/1205720731.db2.gz KCSDRVTYMDJENU-UHFFFAOYSA-N 1 0 385.468 0.794 20 30 GCEDRO CC(=O)N[C@@H](CCCC[NH2+]C1CCN(C(=O)c2ccc(C#N)cc2)CC1)C(N)=O ZINC001173427532 1205720902 /nfs/dbraw/zinc/72/09/02/1205720902.db2.gz YOTDNRXASAYZAL-IBGZPJMESA-N 1 0 399.495 0.913 20 30 GCEDRO C[C@H]1CN(O)C(=O)[C@H]1[NH2+]C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC001173694574 1205726621 /nfs/dbraw/zinc/72/66/21/1205726621.db2.gz VNSLMWSSTPUKHK-NHYWBVRUSA-N 1 0 398.441 0.574 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)CN2CCC[C@H](c3nnc(N)o3)C2)CC1 ZINC001174965769 1205733617 /nfs/dbraw/zinc/73/36/17/1205733617.db2.gz RYZHGPDZDWLXEA-LSDHHAIUSA-N 1 0 375.477 0.524 20 30 GCEDRO CCOC(=O)CO/N=C(\C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)c1cc[nH]n1 ZINC001177263800 1205765954 /nfs/dbraw/zinc/76/59/54/1205765954.db2.gz FKOCKFBDIHUVJX-CHOFAJOMSA-N 1 0 379.461 0.930 20 30 GCEDRO CN1CCN(CC[NH+](C)C)C(=O)C12CCN(C(=O)Cc1ccnc(C#N)c1)CC2 ZINC001177666928 1205773699 /nfs/dbraw/zinc/77/36/99/1205773699.db2.gz IIJYDEWKLPSLID-UHFFFAOYSA-N 1 0 398.511 0.193 20 30 GCEDRO N#Cc1cc(CC(=O)NCc2cc(N3CCS(=O)(=O)CC3)cc[nH+]2)ccn1 ZINC001177674862 1205774006 /nfs/dbraw/zinc/77/40/06/1205774006.db2.gz PZUCZCBZHWMSIF-UHFFFAOYSA-N 1 0 385.449 0.442 20 30 GCEDRO N#C[C@@]12CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C[C@H]1CS(=O)(=O)C2 ZINC001178756992 1205794040 /nfs/dbraw/zinc/79/40/40/1205794040.db2.gz IMIOQDPNSIPSOV-UXLLHSPISA-N 1 0 383.539 0.601 20 30 GCEDRO C#C[C@@H](NC(=O)C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)[C@H]1CCCO1 ZINC000773787516 1205796865 /nfs/dbraw/zinc/79/68/65/1205796865.db2.gz IBCAQZIZOKDCTF-IAGOWNOFSA-N 1 0 386.452 0.812 20 30 GCEDRO C[C@H](CC(=O)N1CC([NH2+][C@@H]2CCOC2)C1)/N=C1/NS(=O)(=O)c2ccccc21 ZINC001179008834 1205799434 /nfs/dbraw/zinc/79/94/34/1205799434.db2.gz SQIMXOBJSDTVRQ-CHWSQXEVSA-N 1 0 392.481 0.093 20 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CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H]1O[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC001182984140 1205885277 /nfs/dbraw/zinc/88/52/77/1205885277.db2.gz POWIZTPRVOUPSD-QAETUUGQSA-N 1 0 398.548 0.513 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCc2onc(COCC(=O)N(C)C)c2C1 ZINC001183042978 1205885627 /nfs/dbraw/zinc/88/56/27/1205885627.db2.gz IREOGKVRDRBJGB-UHFFFAOYSA-N 1 0 376.457 0.816 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1Cc2c(-c3cnn(C)c3)nnn2C[C@@H]1COC ZINC001183043007 1205885690 /nfs/dbraw/zinc/88/56/90/1205885690.db2.gz JHVNKUGOINPCLK-MRXNPFEDSA-N 1 0 385.472 0.688 20 30 GCEDRO C=C(C[NH+]1CCCC1)C(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001183043151 1205885739 /nfs/dbraw/zinc/88/57/39/1205885739.db2.gz LLDGMEZTBVSYIC-UHFFFAOYSA-N 1 0 382.468 0.872 20 30 GCEDRO N#Cc1cccnc1NCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775045912 1205945924 /nfs/dbraw/zinc/94/59/24/1205945924.db2.gz VMBOPRPSNUNMIR-SFHVURJKSA-N 1 0 392.463 0.872 20 30 GCEDRO N#Cc1cccnc1NCCNC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000775045910 1205946034 /nfs/dbraw/zinc/94/60/34/1205946034.db2.gz VMBOPRPSNUNMIR-GOSISDBHSA-N 1 0 392.463 0.872 20 30 GCEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)[C@@H]2C1 ZINC001187971298 1205973047 /nfs/dbraw/zinc/97/30/47/1205973047.db2.gz HDNHMKAPAMOYMD-MWDXBVQZSA-N 1 0 391.516 0.261 20 30 GCEDRO COc1ccc(C#N)c(C(=O)N(Cc2noc3c2C[NH2+]CC3)S(C)(=O)=O)c1 ZINC001189074424 1205995895 /nfs/dbraw/zinc/99/58/95/1205995895.db2.gz VNAKSLRNAPSNIB-UHFFFAOYSA-N 1 0 390.421 0.803 20 30 GCEDRO C=CCNC(=O)NC(=O)CN1C[C@@H]2CCN(C(=O)[C@@H]3CCO[C@H]3C=C)[C@@H]2C1 ZINC001189167189 1205999098 /nfs/dbraw/zinc/99/90/98/1205999098.db2.gz DRVJDOCEFNEXRQ-JJXSEGSLSA-N 1 0 376.457 0.122 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1N2CC(=O)NC(=O)NCCC ZINC001110424398 1206029451 /nfs/dbraw/zinc/02/94/51/1206029451.db2.gz ONXQVIHZTYDQOQ-OAGGEKHMSA-N 1 0 380.489 0.927 20 30 GCEDRO C=CCOCCCC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2C[C@H](O)CN1CCCC1=O ZINC001110424759 1206030114 /nfs/dbraw/zinc/03/01/14/1206030114.db2.gz XLWJBIXQSKESNX-TVFCKZIOSA-N 1 0 379.501 0.674 20 30 GCEDRO C=CCC1(S(=O)(=O)N2CCC3(CC2)C(=O)N(CC[NH+](C)C)CCN3C)CC1 ZINC001190784338 1206046858 /nfs/dbraw/zinc/04/68/58/1206046858.db2.gz SHKJCBLTTZPEEN-UHFFFAOYSA-N 1 0 398.573 0.595 20 30 GCEDRO CN1CC[NH+](C[C@@H]2CCC[C@@]3(CCN(c4cnc(C#N)c(C#N)n4)C3)O2)CC1 ZINC001164895392 721438932 /nfs/dbraw/zinc/43/89/32/721438932.db2.gz OILBISXCBIQLHL-JXFKEZNVSA-N 1 0 381.484 0.985 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCCO[C@@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571277709 945745375 /nfs/dbraw/zinc/74/53/75/945745375.db2.gz SDXUAJCRODLANW-WFASDCNBSA-N 1 0 387.419 0.873 20 30 GCEDRO C#CCCCC(=O)N1C[C@@H](CNc2cc[nH+]cc2-c2nn[nH]n2)[C@H](OCC)C1 ZINC001573285479 946781544 /nfs/dbraw/zinc/78/15/44/946781544.db2.gz YMMSLPUGQUUINT-RHSMWYFYSA-N 1 0 383.456 0.763 20 30 GCEDRO C#CCNC(=O)[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)c1cc(-c2nn[nH]n2)c[nH]1 ZINC001573285769 946787066 /nfs/dbraw/zinc/78/70/66/946787066.db2.gz NCXNDRSWMYOXOW-LBPRGKRZSA-N 1 0 386.460 0.021 20 30 GCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H](C[NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001573285993 946792945 /nfs/dbraw/zinc/79/29/45/946792945.db2.gz QXIFRYKSDQHXGB-ZIAGYGMSSA-N 1 0 386.431 0.982 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)N1C[C@H]2CN(c3ccc(-c4nn[nH]n4)nc3)C[C@H]2C1 ZINC001573286155 946796345 /nfs/dbraw/zinc/79/63/45/946796345.db2.gz VAUBNOMHEFCURT-DAYGRLMNSA-N 1 0 392.467 0.254 20 30 GCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](CC)Nc1ncc(-c2nn[nH]n2)cc1F ZINC001573286201 946797354 /nfs/dbraw/zinc/79/73/54/946797354.db2.gz WCDNJOGQIJEOAX-ZFWWWQNUSA-N 1 0 386.435 0.805 20 30 GCEDRO C#CCOCCC(=O)N[C@@H]1CCCC[C@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573287428 946834493 /nfs/dbraw/zinc/83/44/93/946834493.db2.gz NKMTYZMTCWTVJP-GOEBONIOSA-N 1 0 383.456 0.810 20 30 GCEDRO C#CCOCCC(=O)N[C@@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573287425 946835971 /nfs/dbraw/zinc/83/59/71/946835971.db2.gz NKMTYZMTCWTVJP-GDBMZVCRSA-N 1 0 383.456 0.810 20 30 GCEDRO C#CCOCCC(=O)NC[C@H](Nc1cc[nH+]cc1-c1nn[nH]n1)c1ccccc1 ZINC001573287343 946836225 /nfs/dbraw/zinc/83/62/25/946836225.db2.gz NBJQIBZKNWKCPZ-SFHVURJKSA-N 1 0 391.435 0.993 20 30 GCEDRO C#CCOCCC(=O)N[C@H]1CCCC[C@@H]1CNc1cc[nH+]cc1-c1nn[nH]n1 ZINC001573287431 946836302 /nfs/dbraw/zinc/83/63/02/946836302.db2.gz NKMTYZMTCWTVJP-ZBFHGGJFSA-N 1 0 383.456 0.810 20 30 GCEDRO C#Cc1ccc(C(=O)N2CCO[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)cn1 ZINC001573289263 946881687 /nfs/dbraw/zinc/88/16/87/946881687.db2.gz XRWABVDRSNDWBE-HNNXBMFYSA-N 1 0 390.407 0.013 20 30 GCEDRO C#Cc1ccc(C(=O)NC[C@H](O)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)nc1 ZINC001573289466 946884325 /nfs/dbraw/zinc/88/43/25/946884325.db2.gz ZHAKSLXGQCQSBI-GFCCVEGCSA-N 1 0 383.437 0.185 20 30 GCEDRO C#CCOCCC(=O)N[C@H]1C[C@H]2CC[C@@H]1N2c1cc(C)[nH+]cc1-c1nn[nH]n1 ZINC001573290061 946897016 /nfs/dbraw/zinc/89/70/16/946897016.db2.gz UDUHIYUMVRAVDF-KBMXLJTQSA-N 1 0 381.440 0.836 20 30 GCEDRO C#Cc1cncc(C(=O)N2C[C@@H](C)[C@@H](CNc3cc[nH+]cc3-c3nn[nH]n3)C2)c1 ZINC001573290143 946899264 /nfs/dbraw/zinc/89/92/64/946899264.db2.gz FUFRXQQCTAZURL-CJNGLKHVSA-N 1 0 388.435 0.880 20 30 GCEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573561068 946959991 /nfs/dbraw/zinc/95/99/91/946959991.db2.gz ILZLAQMGLRKMKG-FZMZJTMJSA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@H](O)C[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001573561066 946960706 /nfs/dbraw/zinc/96/07/06/946960706.db2.gz ILZLAQMGLRKMKG-BXUZGUMPSA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@H](C#N)C(=O)N(C)C[C@@H](O)C[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001573561828 946966669 /nfs/dbraw/zinc/96/66/69/946966669.db2.gz NRLHQOXMYTYUJC-YPMHNXCESA-N 1 0 375.408 0.417 20 30 GCEDRO C[C@@H](C#N)C(=O)N1CCC([N@H+](CCO)Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001573565196 947002958 /nfs/dbraw/zinc/00/29/58/947002958.db2.gz ONPKKFWZPZIFFW-AWEZNQCLSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([N@H+](CCO)Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001573566754 947033031 /nfs/dbraw/zinc/03/30/31/947033031.db2.gz GLYVFVZQWSYJTO-PBHICJAKSA-N 1 0 383.456 0.812 20 30 GCEDRO C[C@H](C#N)C(=O)NC1(C[NH2+]Cc2ccc(F)c(-c3nn[nH]n3)c2)CCOCC1 ZINC001573573482 947121893 /nfs/dbraw/zinc/12/18/93/947121893.db2.gz OATSNDUJUHALAH-GFCCVEGCSA-N 1 0 387.419 0.920 20 30 GCEDRO C[C@@H](C#N)C(=O)NCCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001573583112 947199753 /nfs/dbraw/zinc/19/97/53/947199753.db2.gz JMNGXIIJFMRNPD-LBPRGKRZSA-N 1 0 388.501 0.758 20 30 GCEDRO C=CCCC[NH2+]Cc1cc(=O)[nH]c(CNC(=O)c2c[nH]c(-c3nn[nH]n3)c2)n1 ZINC001573334670 947462044 /nfs/dbraw/zinc/46/20/44/947462044.db2.gz HSMCZXSWSNPVHJ-UHFFFAOYSA-N 1 0 383.416 0.676 20 30 GCEDRO C=CCCC[NH+]1CC(N2C[C@H](NC(=O)c3c[nH]c(-c4nn[nH]n4)c3)CC2=O)C1 ZINC001573334898 947466864 /nfs/dbraw/zinc/46/68/64/947466864.db2.gz JFTFZYNALBJWHU-CYBMUJFWSA-N 1 0 384.444 0.176 20 30 GCEDRO C=CCn1cc(C(=O)NC[C@@H](CC)[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)nn1 ZINC001573350271 947593772 /nfs/dbraw/zinc/59/37/72/947593772.db2.gz BRYISRIWQQFQEX-OAHLLOKOSA-N 1 0 381.444 0.942 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H](CNc2cc(C)[nH+]cc2-c2nn[nH]n2)C1 ZINC001573350966 947605125 /nfs/dbraw/zinc/60/51/25/947605125.db2.gz MJJFIVSUFYANTJ-CPUCHLNUSA-N 1 0 383.456 0.844 20 30 GCEDRO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571124425 952538984 /nfs/dbraw/zinc/53/89/84/952538984.db2.gz IRICGTPSHJZKPU-OAHLLOKOSA-N 1 0 377.412 0.846 20 30 GCEDRO C[NH+]=C(NC[C@H]1CCN(S(C)(=O)=O)C1)N(C)Cc1cc(Cl)cn1C ZINC000261989433 530131086 /nfs/dbraw/zinc/13/10/86/530131086.db2.gz QXAVHQZQRKDQMV-GFCCVEGCSA-N 1 0 375.926 0.967 20 30 GCEDRO C[NH+]=C(NCCS(=O)(=O)N1CCSCC1)NCc1sc(C)nc1C ZINC000262826364 530137329 /nfs/dbraw/zinc/13/73/29/530137329.db2.gz ZYEMVDYNDJQGFR-UHFFFAOYSA-N 1 0 391.588 0.804 20 30 GCEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC#N ZINC000518396456 530228101 /nfs/dbraw/zinc/22/81/01/530228101.db2.gz FVCHXFAKHNULME-ZDUSSCGKSA-N 1 0 386.499 0.251 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000409495691 530229423 /nfs/dbraw/zinc/22/94/23/530229423.db2.gz YANZQJPHOVSVKV-UHFFFAOYSA-N 1 0 376.523 0.526 20 30 GCEDRO CCCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000570827345 530325951 /nfs/dbraw/zinc/32/59/51/530325951.db2.gz QVSPYZNEZJHJGR-UHFFFAOYSA-N 1 0 388.515 0.451 20 30 GCEDRO [NH2+]=C(NCCCn1cc(Br)cn1)N1CCN(c2ncccn2)CC1 ZINC000287182402 530406911 /nfs/dbraw/zinc/40/69/11/530406911.db2.gz KEVCJFREYWHBMQ-UHFFFAOYSA-N 1 0 393.293 0.963 20 30 GCEDRO CC[C@@H](C#N)N(C)S(=O)(=O)c1ccc(S(=O)(=O)NCC[NH+](C)C)cc1 ZINC000594629583 530433353 /nfs/dbraw/zinc/43/33/53/530433353.db2.gz DWKCYAKQXIWGGI-ZDUSSCGKSA-N 1 0 388.515 0.449 20 30 GCEDRO CC[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)NC(C)(C)C#N)cc1 ZINC000594631202 530433889 /nfs/dbraw/zinc/43/38/89/530433889.db2.gz XUZZBPOYBIMBQT-UHFFFAOYSA-N 1 0 388.515 0.497 20 30 GCEDRO N#Cc1c(Br)cccc1S(=O)(=O)N1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000572135754 530510346 /nfs/dbraw/zinc/51/03/46/530510346.db2.gz KWZJRVXTLGSMDV-BXKDBHETSA-N 1 0 399.270 0.253 20 30 GCEDRO C[NH+](C)[C@]1(CNC(=O)NCC2CCN(S(C)(=O)=O)CC2)CCSC1 ZINC000328691314 530517540 /nfs/dbraw/zinc/51/75/40/530517540.db2.gz REXCMPMTMPWDSX-HNNXBMFYSA-N 1 0 378.564 0.599 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000573565123 530524686 /nfs/dbraw/zinc/52/46/86/530524686.db2.gz UBGXKBQSHYLEKK-CYBMUJFWSA-N 1 0 399.314 0.989 20 30 GCEDRO COCC[N@@H+]1CC[C@H](NC(=O)NC2CCN(S(=O)(=O)C(C)C)CC2)C1 ZINC000331310550 530544938 /nfs/dbraw/zinc/54/49/38/530544938.db2.gz YUZMUPBYIDNDJU-HNNXBMFYSA-N 1 0 376.523 0.413 20 30 GCEDRO C[NH+](C)C[C@H]1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NCC#N)cc2)C1 ZINC000568238559 530554892 /nfs/dbraw/zinc/55/48/92/530554892.db2.gz XLMSKUPACPECMP-CYBMUJFWSA-N 1 0 386.499 0.061 20 30 GCEDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N(C)CC#N)cc1 ZINC000568244442 530555175 /nfs/dbraw/zinc/55/51/75/530555175.db2.gz LXDBMRGKLFDWGX-UHFFFAOYSA-N 1 0 388.515 0.449 20 30 GCEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000293527861 530566786 /nfs/dbraw/zinc/56/67/86/530566786.db2.gz ZQBVGJFRAYQTLM-UHFFFAOYSA-N 1 0 383.246 0.158 20 30 GCEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)c1ccc(S(=O)(=O)NCCC)cc1 ZINC000293701467 530567579 /nfs/dbraw/zinc/56/75/79/530567579.db2.gz CVICJKWOYWWDSF-UHFFFAOYSA-N 1 0 387.527 0.608 20 30 GCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)c1ccc(NS(C)(=O)=O)c(F)c1 ZINC000293721172 530567627 /nfs/dbraw/zinc/56/76/27/530567627.db2.gz FQJAFVMGJRALSI-UHFFFAOYSA-N 1 0 377.463 0.431 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)c1ccccc1S(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000573507293 530581149 /nfs/dbraw/zinc/58/11/49/530581149.db2.gz XLRJXUMDXONVLD-STQMWFEESA-N 1 0 388.515 0.448 20 30 GCEDRO CCN(CC#N)S(=O)(=O)c1ccc(S(=O)(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000574702996 530593813 /nfs/dbraw/zinc/59/38/13/530593813.db2.gz DHCPLRBAUJUZKP-ZDUSSCGKSA-N 1 0 388.515 0.449 20 30 GCEDRO CC(C)[N@H+](C)CCNS(=O)(=O)c1ccc(S(=O)(=O)N[C@@H](C)C#N)cc1 ZINC000520610493 530615128 /nfs/dbraw/zinc/61/51/28/530615128.db2.gz ZVVJISXMPAOWOV-ZDUSSCGKSA-N 1 0 388.515 0.495 20 30 GCEDRO CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CCN(S(C)(=O)=O)CC1 ZINC000329975095 530623413 /nfs/dbraw/zinc/62/34/13/530623413.db2.gz ZNUFCHUABWIZRD-HNNXBMFYSA-N 1 0 378.564 0.694 20 30 GCEDRO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN2CC[C@@H](C)S(=O)(=O)CC2)C1 ZINC000330259057 530630332 /nfs/dbraw/zinc/63/03/32/530630332.db2.gz RUSGRCGXFFYSKS-HZPDHXFCSA-N 1 0 375.535 0.809 20 30 GCEDRO C[NH+](C)C[C@@H]1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NCC#N)C1 ZINC000349444541 530636076 /nfs/dbraw/zinc/63/60/76/530636076.db2.gz AIEQAJNXJKCFCR-ZDUSSCGKSA-N 1 0 386.499 0.061 20 30 GCEDRO C[C@@H](C#N)NS(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000349487404 530652900 /nfs/dbraw/zinc/65/29/00/530652900.db2.gz XMIAYBOAFSSOPS-ZNMIVQPWSA-N 1 0 392.547 0.096 20 30 GCEDRO C[C@@H](C#N)N(C)S(=O)(=O)CCCS(=O)(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000349518177 530670087 /nfs/dbraw/zinc/67/00/87/530670087.db2.gz GPFSOHLKXKMADZ-GJZGRUSLSA-N 1 0 392.547 0.050 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C(=O)Nc2ccc(C#N)c(Br)c2)CCO1 ZINC000591299454 530710004 /nfs/dbraw/zinc/71/00/04/530710004.db2.gz JEYJUKONHZXHLM-RNCFNFMXSA-N 1 0 381.230 0.834 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)c1cccc(C#N)c1 ZINC000510754631 530819054 /nfs/dbraw/zinc/81/90/54/530819054.db2.gz VQXXFDGRSBTLPZ-JKSUJKDBSA-N 1 0 385.511 0.782 20 30 GCEDRO C[NH+](C)[C@H]1CN(S(=O)(=O)c2cc(Br)c(C#N)cc2F)C[C@@H]1O ZINC000601415509 530824101 /nfs/dbraw/zinc/82/41/01/530824101.db2.gz GJZXLLIVQBBMCR-RYUDHWBXSA-N 1 0 392.250 0.755 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502186015 530873449 /nfs/dbraw/zinc/87/34/49/530873449.db2.gz GGVKMGBDUGZDQV-UHFFFAOYSA-N 1 0 390.575 0.705 20 30 GCEDRO CS(=O)(=O)C1(C(=O)N2CCN(c3ccsc3C#N)CC2)CC[NH2+]CC1 ZINC000595257128 530897820 /nfs/dbraw/zinc/89/78/20/530897820.db2.gz QPSNOJUVMDQUSV-UHFFFAOYSA-N 1 0 382.511 0.435 20 30 GCEDRO 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COc1ccc(OC)c(-n2nnnc2SC[C@@H](O)CN(C)CCC#N)c1 ZINC000414122925 1187726181 /nfs/dbraw/zinc/72/61/81/1187726181.db2.gz BHNLXUYZAMZWKG-LBPRGKRZSA-N 1 0 378.458 0.978 20 30 GCEDRO C=CCS(=O)(=O)CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000376263997 1187732220 /nfs/dbraw/zinc/73/22/20/1187732220.db2.gz FHHXOSMVKBRZRG-UHFFFAOYSA-N 1 0 381.502 0.233 20 30 GCEDRO N#CCN1CCC(NC(=O)C(=O)N2CCN(CCc3cccs3)CC2)CC1 ZINC000588125640 1187923239 /nfs/dbraw/zinc/92/32/39/1187923239.db2.gz HNIRZAAFRHZVLE-UHFFFAOYSA-N 1 0 389.525 0.539 20 30 GCEDRO N#Cc1ncn(CCNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000376564881 1187932812 /nfs/dbraw/zinc/93/28/12/1187932812.db2.gz JIBBENPEUAXCGT-KRWDZBQOSA-N 1 0 383.456 0.740 20 30 GCEDRO O=C(Cn1cc(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cn1)N1CCOCC1 ZINC000330029136 1187976355 /nfs/dbraw/zinc/97/63/55/1187976355.db2.gz POEVCENQZOWIIU-KRWDZBQOSA-N 1 0 390.488 0.848 20 30 GCEDRO CN(CC(=O)N1CC[NH2+]CC1)C(=O)C(=O)Nc1sc(C(C)(C)C)cc1C#N ZINC000415333938 1188038950 /nfs/dbraw/zinc/03/89/50/1188038950.db2.gz QPSCTQRAXIYUKM-UHFFFAOYSA-N 1 0 391.497 0.746 20 30 GCEDRO N#Cc1cc(NC(=O)C(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1Cl ZINC000415366622 1188064148 /nfs/dbraw/zinc/06/41/48/1188064148.db2.gz FNMMYAXHDMJXOI-NSHDSACASA-N 1 0 377.832 0.464 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000415427407 1188078116 /nfs/dbraw/zinc/07/81/16/1188078116.db2.gz GDXAXHXZUSTHSW-ZDUSSCGKSA-N 1 0 380.470 0.252 20 30 GCEDRO C=CCN(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000415427406 1188078361 /nfs/dbraw/zinc/07/83/61/1188078361.db2.gz GDXAXHXZUSTHSW-CYBMUJFWSA-N 1 0 380.470 0.252 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)n2)c(F)c1 ZINC000415493636 1188091399 /nfs/dbraw/zinc/09/13/99/1188091399.db2.gz YOYIJCQFQBLOHX-KGLIPLIRSA-N 1 0 382.399 1.174 20 30 GCEDRO CCOC(=O)c1c(NC(=O)NC[C@H]2C[NH2+]CCO2)c(C#N)cn1CCOC ZINC000415502474 1188094625 /nfs/dbraw/zinc/09/46/25/1188094625.db2.gz XBBLFQXFPVASBM-CYBMUJFWSA-N 1 0 379.417 0.293 20 30 GCEDRO Cc1c(C#N)cccc1NC(=O)C(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000415530623 1188099100 /nfs/dbraw/zinc/09/91/00/1188099100.db2.gz UJIUQUGHHRHYDP-CRAIPNDOSA-N 1 0 397.479 0.912 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@]3(CC[NH2+]C3)C2)n1 ZINC000415589580 1188115695 /nfs/dbraw/zinc/11/56/95/1188115695.db2.gz FTEAFWBYTSVFKX-IBGZPJMESA-N 1 0 382.399 1.034 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000415589584 1188115937 /nfs/dbraw/zinc/11/59/37/1188115937.db2.gz FTEAFWBYTSVFKX-LJQANCHMSA-N 1 0 382.399 1.034 20 30 GCEDRO N#Cc1cc(Oc2ccc(NC(=O)C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)ccn1 ZINC000415603524 1188120597 /nfs/dbraw/zinc/12/05/97/1188120597.db2.gz LRJOKRHZIRSKPZ-KRWDZBQOSA-N 1 0 381.392 0.870 20 30 GCEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ccc(C#N)cc2)n1 ZINC000415669057 1188135941 /nfs/dbraw/zinc/13/59/41/1188135941.db2.gz AYYRFXRRTMFGMF-INIZCTEOSA-N 1 0 395.467 1.031 20 30 GCEDRO Cc1cc(C#N)cc(NC(=O)C(=O)NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000415689028 1188141390 /nfs/dbraw/zinc/14/13/90/1188141390.db2.gz JESVILXFJSTHKW-CQSZACIVSA-N 1 0 383.374 0.758 20 30 GCEDRO N#CCc1ccc(NC(=O)C(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c(Cl)c1 ZINC000415719255 1188151025 /nfs/dbraw/zinc/15/10/25/1188151025.db2.gz CBFMWEDPMNLABR-AWEZNQCLSA-N 1 0 375.860 0.851 20 30 GCEDRO N#Cc1c(F)cccc1-n1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000415751114 1188155580 /nfs/dbraw/zinc/15/55/80/1188155580.db2.gz VSKXSPXEVWWWQA-CHWSQXEVSA-N 1 0 382.399 0.889 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)n2)c(Cl)c1 ZINC000415764131 1188160424 /nfs/dbraw/zinc/16/04/24/1188160424.db2.gz JEEKLDVOGZQKTR-DZGCQCFKSA-N 1 0 398.854 1.546 20 30 GCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(=O)Nc1ccccc1-n1cnc(C#N)n1 ZINC000377905533 1189368403 /nfs/dbraw/zinc/36/84/03/1189368403.db2.gz HWCISJAADPKBBE-UHFFFAOYSA-N 1 0 394.439 0.771 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CCCC3)n2)c(F)c1 ZINC000415824508 1189372560 /nfs/dbraw/zinc/37/25/60/1189372560.db2.gz VSOZWQPZPWWYKJ-HNNXBMFYSA-N 1 0 384.415 1.455 20 30 GCEDRO N#Cc1ccc(S(=O)(=O)NCC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000290453731 1189408515 /nfs/dbraw/zinc/40/85/15/1189408515.db2.gz OSYJRBRXKRFCSL-UHFFFAOYSA-N 1 0 376.482 0.827 20 30 GCEDRO C[C@@H]1CN(C(=O)CNC(=O)c2ccc(C#N)cc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000378306748 1189469537 /nfs/dbraw/zinc/46/95/37/1189469537.db2.gz KNQVYILRWZORGF-APWZRJJASA-N 1 0 383.496 0.772 20 30 GCEDRO N#Cc1cncc(S(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)c1 ZINC000416387073 1189506858 /nfs/dbraw/zinc/50/68/58/1189506858.db2.gz IZLOGIDZWPFUEQ-UHFFFAOYSA-N 1 0 399.476 0.576 20 30 GCEDRO C=CCNC(=O)C[NH2+]C1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000378493678 1189518970 /nfs/dbraw/zinc/51/89/70/1189518970.db2.gz JPFAXNNEPASEJB-UHFFFAOYSA-N 1 0 394.497 0.690 20 30 GCEDRO CCN(C[C@H](C)C#N)S(=O)(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000416580725 1189557055 /nfs/dbraw/zinc/55/70/55/1189557055.db2.gz JPMNLXNPPJMLSL-MRXNPFEDSA-N 1 0 387.550 0.099 20 30 GCEDRO O=C(NCC#Cc1cccc(F)c1)NCCCC[NH+]1CCN(CCO)CC1 ZINC000549469847 1189657842 /nfs/dbraw/zinc/65/78/42/1189657842.db2.gz XQBWKODOAVZLEK-UHFFFAOYSA-N 1 0 376.476 0.867 20 30 GCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)CC1 ZINC001267928888 1189729208 /nfs/dbraw/zinc/72/92/08/1189729208.db2.gz GMIRETZJHAWFQT-QCODTGAPSA-N 1 0 378.473 0.583 20 30 GCEDRO C=C(C)Cn1c(-c2ncon2)nnc1N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000909329965 1189803939 /nfs/dbraw/zinc/80/39/39/1189803939.db2.gz DHASQGYOHPSJFE-UHFFFAOYSA-N 1 0 388.476 0.895 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@H]3CCN(C(=O)[C@]45C[C@H]4COC5)[C@H]3C2)CC1 ZINC000975754283 1189971205 /nfs/dbraw/zinc/97/12/05/1189971205.db2.gz INZUQTPUCXRFSA-FUOQNJDISA-N 1 0 385.508 0.818 20 30 GCEDRO C=CCN1CC[C@@H](N(C)C(=O)C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1=O ZINC000661008544 1189980265 /nfs/dbraw/zinc/98/02/65/1189980265.db2.gz ZKBLUJNZRZKUNL-RBUKOAKNSA-N 1 0 398.507 0.965 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccccc2C#N)CC1 ZINC000418571501 1189988411 /nfs/dbraw/zinc/98/84/11/1189988411.db2.gz JTCPYUWBKCIXAX-ZBFHGGJFSA-N 1 0 391.497 0.572 20 30 GCEDRO C[NH+]=C(NCCc1csc(C)n1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261705331 1193730972 /nfs/dbraw/zinc/73/09/72/1193730972.db2.gz GPAQXPTVSMVSFU-QGZVFWFLSA-N 1 0 378.502 0.880 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1)c1ccc(C#N)cc1 ZINC000419276437 1193780347 /nfs/dbraw/zinc/78/03/47/1193780347.db2.gz FLTSWYSMSDMNCF-WMLDXEAASA-N 1 0 383.452 0.158 20 30 GCEDRO C[C@H](NC(=O)C(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc(C#N)cc1 ZINC000419296413 1193792090 /nfs/dbraw/zinc/79/20/90/1193792090.db2.gz XOTGISNONBNRFH-SWLSCSKDSA-N 1 0 397.401 0.688 20 30 GCEDRO C=CCc1cc(CNC(=O)C(=O)N2CCCO[C@H](C[NH3+])C2)cc(OC)c1OC ZINC000419354298 1193852001 /nfs/dbraw/zinc/85/20/01/1193852001.db2.gz DPZYRVNCKRPHDU-MRXNPFEDSA-N 1 0 391.468 0.625 20 30 GCEDRO CC[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261746639 1193860578 /nfs/dbraw/zinc/86/05/78/1193860578.db2.gz LIMLTLBGRUIJDS-GOSISDBHSA-N 1 0 390.444 0.154 20 30 GCEDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C#N)cc1F ZINC000433496312 1193882958 /nfs/dbraw/zinc/88/29/58/1193882958.db2.gz KGPNBZKGOBZWTI-MRXNPFEDSA-N 1 0 389.431 0.695 20 30 GCEDRO C[NH+]=C(NCCN1CCc2ccccc2C1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261788027 1193918987 /nfs/dbraw/zinc/91/89/87/1193918987.db2.gz QPCRGJYQWDSPKX-UHFFFAOYSA-N 1 0 395.511 0.702 20 30 GCEDRO C[NH+]=C(NCc1ccc2c(c1)OCO2)NCC1CCN(S(C)(=O)=O)CC1 ZINC000261642098 1193922321 /nfs/dbraw/zinc/92/23/21/1193922321.db2.gz KYTGVBIIERSARV-UHFFFAOYSA-N 1 0 382.486 0.752 20 30 GCEDRO CC[NH+]=C(NCc1cnc(N(C)C)n1C)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261717240 1193923654 /nfs/dbraw/zinc/92/36/54/1193923654.db2.gz KMSWTRPNNLWEEZ-UHFFFAOYSA-N 1 0 387.492 0.034 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N(C)Cc1ccon1 ZINC000261716168 1193923662 /nfs/dbraw/zinc/92/36/62/1193923662.db2.gz HWLJUMZIZHIMQR-UHFFFAOYSA-N 1 0 384.440 0.454 20 30 GCEDRO CC[NH+]=C(NCc1cn2c(n1)CCCC2)N1CCN(C(C)(C)C(N)=O)CC1 ZINC000261731884 1193924494 /nfs/dbraw/zinc/92/44/94/1193924494.db2.gz LOVIDWXZPLUKRY-UHFFFAOYSA-N 1 0 375.521 0.566 20 30 GCEDRO CC[NH+]=C(NCc1ccco1)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000261759062 1193925353 /nfs/dbraw/zinc/92/53/53/1193925353.db2.gz MTNMFAILHSYNKZ-UHFFFAOYSA-N 1 0 381.458 0.881 20 30 GCEDRO CC[NH+]=C(NCc1ccc(OC)c(O)c1)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261771507 1193925774 /nfs/dbraw/zinc/92/57/74/1193925774.db2.gz PGADIBJKBYLBQE-UHFFFAOYSA-N 1 0 386.456 0.949 20 30 GCEDRO CC[NH+]=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261773258 1193925816 /nfs/dbraw/zinc/92/58/16/1193925816.db2.gz PLNUDLSMLGXKLH-CGTJXYLNSA-N 1 0 386.500 0.992 20 30 GCEDRO C#Cc1cccc(NC(=O)CNC(=[NH+]C)N2CCO[C@@H](c3cnn(C)c3)C2)c1 ZINC000261836245 1193927998 /nfs/dbraw/zinc/92/79/98/1193927998.db2.gz WCJBTVODZLMROM-GOSISDBHSA-N 1 0 380.452 0.989 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCc2ccccc21)N1CCN(c2cnn(C)c2)C(=O)C1 ZINC000261872182 1193929510 /nfs/dbraw/zinc/92/95/10/1193929510.db2.gz ZVCCLHFUYQOQQZ-UHFFFAOYSA-N 1 0 395.467 0.233 20 30 GCEDRO C[NH+]=C(NCc1cccc(S(N)(=O)=O)c1)N1CC[C@H](Oc2ccccn2)C1 ZINC000261949354 1193932988 /nfs/dbraw/zinc/93/29/88/1193932988.db2.gz GVPRJMYLXWGRPI-HNNXBMFYSA-N 1 0 389.481 0.958 20 30 GCEDRO CN1CCN(c2ncccc2CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000261963610 1193933346 /nfs/dbraw/zinc/93/33/46/1193933346.db2.gz AEPXBYZBYUHLPT-UHFFFAOYSA-N 1 0 395.515 0.260 20 30 GCEDRO [NH2+]=C(NCCNC(=O)c1ccc(Cl)cc1)N1CCN(c2ncccn2)CC1 ZINC000261979336 1193934771 /nfs/dbraw/zinc/93/47/71/1193934771.db2.gz HLNIRDKPVLYIGH-UHFFFAOYSA-N 1 0 387.875 0.997 20 30 GCEDRO C[NH+]=C(NCCOc1ccc2c(c1)OCO2)N1CCS(=O)(=O)C(C)(C)C1 ZINC000262001928 1193935492 /nfs/dbraw/zinc/93/54/92/1193935492.db2.gz UOTIKDXPTUBRNS-UHFFFAOYSA-N 1 0 383.470 0.879 20 30 GCEDRO CNS(=O)(=O)c1cccc(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)c1 ZINC000262017428 1193935850 /nfs/dbraw/zinc/93/58/50/1193935850.db2.gz WRUORUAXZJJFMZ-UHFFFAOYSA-N 1 0 389.485 0.022 20 30 GCEDRO CN(C)C(=O)CNC(=[NH+]C[C@H]1CCCCO1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262244886 1193943190 /nfs/dbraw/zinc/94/31/90/1193943190.db2.gz APWLWVQVHIQBFS-DOTOQJQBSA-N 1 0 376.505 0.812 20 30 GCEDRO CCC[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2ncc(F)cn2)CC1 ZINC000262340344 1193945375 /nfs/dbraw/zinc/94/53/75/1193945375.db2.gz CNDBJDGTKKAWAW-AWEZNQCLSA-N 1 0 398.508 0.528 20 30 GCEDRO O=S1(=O)CC[C@@H](CNC(N[C@@H]2CCCN(c3ncccn3)C2)=[NH+]C2CC2)C1 ZINC000262378230 1193946764 /nfs/dbraw/zinc/94/67/64/1193946764.db2.gz JXZUMYTYYIZWSJ-GOEBONIOSA-N 1 0 392.529 0.578 20 30 GCEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC000262421147 1193947752 /nfs/dbraw/zinc/94/77/52/1193947752.db2.gz RAHIFADWAAVGRS-UHFFFAOYSA-N 1 0 382.486 0.887 20 30 GCEDRO C[NH+]=C(N[C@H]1C[C@@H]1Cc1ccccc1)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000262465697 1193948522 /nfs/dbraw/zinc/94/85/22/1193948522.db2.gz YFBODXOBKUELFB-PMACEKPBSA-N 1 0 399.539 0.669 20 30 GCEDRO C[NH+]=C(NC[C@@H]1CCS(=O)(=O)C1)N1CCN(c2nc(C)cc(C)n2)CC1 ZINC000262467916 1193948936 /nfs/dbraw/zinc/94/89/36/1193948936.db2.gz YOURZOFMPCUVHW-HNNXBMFYSA-N 1 0 380.518 0.226 20 30 GCEDRO [NH2+]=C(NCCC(=O)N[C@H]1CCS(=O)(=O)C1)Nc1cccc2c1CCCC2 ZINC000262480841 1193949276 /nfs/dbraw/zinc/94/92/76/1193949276.db2.gz RMURSPLFUUJSBS-AWEZNQCLSA-N 1 0 378.498 0.985 20 30 GCEDRO C/[NH+]=C(/NCc1cn2ccsc2n1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262584275 1193951944 /nfs/dbraw/zinc/95/19/44/1193951944.db2.gz RUUWDYDCKYRRPH-CQSZACIVSA-N 1 0 376.486 0.794 20 30 GCEDRO CS(=O)(=O)N[C@@H]1CCCC[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262683596 1193953533 /nfs/dbraw/zinc/95/35/33/1193953533.db2.gz XIUHRCHXWLXGFR-LSDHHAIUSA-N 1 0 395.533 0.021 20 30 GCEDRO C[NH+]=C(NCc1cc(F)ccc1N1CCOCC1)N[C@H]1CCc2ncnn2C1 ZINC000262695823 1193953767 /nfs/dbraw/zinc/95/37/67/1193953767.db2.gz XKDKKCCVINMTOK-INIZCTEOSA-N 1 0 387.463 0.934 20 30 GCEDRO N#Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)c(F)c1 ZINC000433890497 1193958155 /nfs/dbraw/zinc/95/81/55/1193958155.db2.gz LKABAGOGRCLVCA-UHFFFAOYSA-N 1 0 387.415 0.402 20 30 GCEDRO C[C@H]1CN(C(C)(C)CNC(=[NH2+])N2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000263075728 1193961551 /nfs/dbraw/zinc/96/15/51/1193961551.db2.gz CKEXFKUOKSJNCC-HOTGVXAUSA-N 1 0 375.521 0.801 20 30 GCEDRO C[NH+]=C(NCC(=O)N1CCN(c2ccccc2)CC1)N1CCN(C(C)=O)CC1 ZINC000263109690 1193962095 /nfs/dbraw/zinc/96/20/95/1193962095.db2.gz DJTSLZDCFYAHNO-UHFFFAOYSA-N 1 0 386.500 0.075 20 30 GCEDRO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000329113813 1193969065 /nfs/dbraw/zinc/96/90/65/1193969065.db2.gz LMFMAHPCEWCYRK-LBPRGKRZSA-N 1 0 399.517 0.994 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000280114374 1193977191 /nfs/dbraw/zinc/97/71/91/1193977191.db2.gz CTTWZLUCTHCAIH-GOSISDBHSA-N 1 0 378.473 0.369 20 30 GCEDRO C[NH+]=C(NCCNC(=O)C(C)(C)C)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261802995 1193999693 /nfs/dbraw/zinc/99/96/93/1193999693.db2.gz RQSFSFSYWJISJQ-GOSISDBHSA-N 1 0 380.493 0.034 20 30 GCEDRO C[C@]1(C(N)=O)CC[N@H+](CC(=O)N2CCN([C@H](C#N)c3ccc(F)cc3)CC2)C1 ZINC000280708874 1194015339 /nfs/dbraw/zinc/01/53/39/1194015339.db2.gz JBFJKOGCWJVTRP-XLIONFOSSA-N 1 0 387.459 0.732 20 30 GCEDRO C=C(C)COCCNC(=O)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419400678 1194019156 /nfs/dbraw/zinc/01/91/56/1194019156.db2.gz LUYMTJGVCUOCRK-ZWKOTPCHSA-N 1 0 375.469 0.966 20 30 GCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)NC1CCC(Oc2ccc(C#N)cn2)CC1 ZINC000419618177 1194070376 /nfs/dbraw/zinc/07/03/76/1194070376.db2.gz WJXOCUDWORBKRK-YJNKEBTESA-N 1 0 385.468 0.874 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)NC2CCC(Oc3ncccc3C#N)CC2)[C@@H](C)C[NH2+]1 ZINC000419715055 1194091213 /nfs/dbraw/zinc/09/12/13/1194091213.db2.gz AAPMIKHWYRWIRM-JCAIJIATSA-N 1 0 385.468 0.968 20 30 GCEDRO N#C[C@H]1CN(C(=O)C(=O)NCCC[NH2+]C2CC2)C[C@]12C(=O)Nc1ccccc12 ZINC000419843050 1194119170 /nfs/dbraw/zinc/11/91/70/1194119170.db2.gz CPNASZOWCJDOOU-RBZFPXEDSA-N 1 0 381.436 0.117 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)NC[C@H]([NH3+])C3CC3)CC2)c(Cl)c1 ZINC000419875410 1194129764 /nfs/dbraw/zinc/12/97/64/1194129764.db2.gz WQPRFIAJBKBEAP-HNNXBMFYSA-N 1 0 375.860 0.714 20 30 GCEDRO C=CCN(CCOC)C(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000419893036 1194135335 /nfs/dbraw/zinc/13/53/35/1194135335.db2.gz OJGMJRFRKBWRCE-ROUUACIJSA-N 1 0 375.469 0.918 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000419902337 1194136815 /nfs/dbraw/zinc/13/68/15/1194136815.db2.gz VFKQWAPWARKVRR-KRWDZBQOSA-N 1 0 383.452 0.604 20 30 GCEDRO C[C@H](NC(=O)C(=O)N1CCN(c2cccc(F)c2C#N)CC1)[C@@H]1CCC[NH2+]C1 ZINC000419905269 1194137432 /nfs/dbraw/zinc/13/74/32/1194137432.db2.gz VZDSDAZKWBYCGQ-LSDHHAIUSA-N 1 0 387.459 0.850 20 30 GCEDRO N#Cc1cccc(NC(=O)C2CCN(C(=O)C(=O)N[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000420000563 1194155666 /nfs/dbraw/zinc/15/56/66/1194155666.db2.gz OKWRVTABAHAXGG-SFHVURJKSA-N 1 0 397.479 0.994 20 30 GCEDRO N#Cc1nc(-c2ccco2)oc1N1CCN(C(=O)C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000420035855 1194159493 /nfs/dbraw/zinc/15/94/93/1194159493.db2.gz KLXKMWZKDBNHDK-CYBMUJFWSA-N 1 0 398.423 0.308 20 30 GCEDRO COCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000420043094 1194167536 /nfs/dbraw/zinc/16/75/36/1194167536.db2.gz RHXGVPCLXQKBPQ-RHSMWYFYSA-N 1 0 388.468 0.762 20 30 GCEDRO C[C@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)C(=O)N1CCN(c2ccccc2C#N)CC1 ZINC000420043344 1194167619 /nfs/dbraw/zinc/16/76/19/1194167619.db2.gz RTKUCMLGZLRNTK-GDBMZVCRSA-N 1 0 385.468 0.436 20 30 GCEDRO C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)C(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000420044470 1194167670 /nfs/dbraw/zinc/16/76/70/1194167670.db2.gz SZUMUHCNVWVLBJ-RDJZCZTQSA-N 1 0 399.495 0.826 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c(F)c1 ZINC000420075407 1194173227 /nfs/dbraw/zinc/17/32/27/1194173227.db2.gz SGFZQCNOTZFTQJ-QGZVFWFLSA-N 1 0 387.459 0.980 20 30 GCEDRO C[C@@H]1CN(c2nccnc2C#N)CCN1C(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000420084465 1194174341 /nfs/dbraw/zinc/17/43/41/1194174341.db2.gz MQLGFMQOSZKCFR-HIFRSBDPSA-N 1 0 385.472 0.019 20 30 GCEDRO C[C@]1(CNC(=O)C(=O)N2CCN(c3cccc(F)c3C#N)CC2)CCC[NH2+]C1 ZINC000420087299 1194175007 /nfs/dbraw/zinc/17/50/07/1194175007.db2.gz BLVAITZWTWKJKM-FQEVSTJZSA-N 1 0 387.459 0.852 20 30 GCEDRO CCC([NH3+])(CC)CNC(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000420086904 1194175441 /nfs/dbraw/zinc/17/54/41/1194175441.db2.gz ZSNLCIDVEYRCMR-ZUOKHONESA-N 1 0 383.452 0.492 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCO1 ZINC000420104795 1194179207 /nfs/dbraw/zinc/17/92/07/1194179207.db2.gz TWMVKOCHXCQKRX-XJKCOSOUSA-N 1 0 378.379 0.277 20 30 GCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC000420110758 1194181394 /nfs/dbraw/zinc/18/13/94/1194181394.db2.gz FRGGSEHJVQOKOW-KDOFPFPSSA-N 1 0 397.479 0.850 20 30 GCEDRO CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCN(c2ccc(C#N)cc2F)CC1 ZINC000420128352 1194189241 /nfs/dbraw/zinc/18/92/41/1194189241.db2.gz SUUNQHBGKLYIOU-HNNXBMFYSA-N 1 0 375.448 0.980 20 30 GCEDRO CC1(C)CCC[NH2+][C@H]1CNC(=O)C(=O)N1CCN(c2cc(C#N)ccn2)CC1 ZINC000420155867 1194190435 /nfs/dbraw/zinc/19/04/35/1194190435.db2.gz FAFFFCRQPXUHSW-INIZCTEOSA-N 1 0 384.484 0.496 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420184638 1194197609 /nfs/dbraw/zinc/19/76/09/1194197609.db2.gz IOGMKIFMPIFZME-GOSISDBHSA-N 1 0 386.452 0.423 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)NC[C@@H]3C[NH2+]CCCO3)CC2)c1 ZINC000420184639 1194197840 /nfs/dbraw/zinc/19/78/40/1194197840.db2.gz IOGMKIFMPIFZME-SFHVURJKSA-N 1 0 386.452 0.423 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cc1 ZINC000420182014 1194197922 /nfs/dbraw/zinc/19/79/22/1194197922.db2.gz DXZUVEIQOGEXRS-RTBURBONSA-N 1 0 383.496 0.836 20 30 GCEDRO N#Cc1ccccc1N1CCN(C(=O)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000420198505 1194202610 /nfs/dbraw/zinc/20/26/10/1194202610.db2.gz CNIVYDZXIUZJLS-OKZBNKHCSA-N 1 0 381.480 0.711 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000420205351 1194204637 /nfs/dbraw/zinc/20/46/37/1194204637.db2.gz IYTUCWSUKZHORD-HSALFYBXSA-N 1 0 395.507 0.707 20 30 GCEDRO CC[NH+]=C(NCc1nncn1CC)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261830602 1194270965 /nfs/dbraw/zinc/27/09/65/1194270965.db2.gz VJZGRYNTLPGCNQ-QGZVFWFLSA-N 1 0 376.465 0.074 20 30 GCEDRO C[N@@H+]1CCC[C@H](N2CCN(C(=O)C(=O)N3CCc4ccc(C#N)cc43)CC2)C1 ZINC000366802306 1194301112 /nfs/dbraw/zinc/30/11/12/1194301112.db2.gz OHIKRIOMJFTMOB-SFHVURJKSA-N 1 0 381.480 0.686 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccn(-c2cccc(F)c2C#N)n1 ZINC000421308875 1194322534 /nfs/dbraw/zinc/32/25/34/1194322534.db2.gz YWUKJSMKAFEFHL-CYBMUJFWSA-N 1 0 384.415 1.374 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)C[NH+]3CCC(CCC(N)=O)CC3)CC2)o1 ZINC000502528625 1194329913 /nfs/dbraw/zinc/32/99/13/1194329913.db2.gz LORJDFLDYBXDPA-UHFFFAOYSA-N 1 0 388.472 0.481 20 30 GCEDRO CCS(=O)(=O)NCCNC(=[NH+]C)N1CCN(c2cc(F)ccc2F)CC1 ZINC000261839354 1194341956 /nfs/dbraw/zinc/34/19/56/1194341956.db2.gz WCCXSVVSTORCHN-UHFFFAOYSA-N 1 0 389.472 0.602 20 30 GCEDRO CC[NH+]=C(NCC1CCN(S(C)(=O)=O)CC1)N1CCC[C@@H](CC(N)=O)C1 ZINC000261844459 1194348473 /nfs/dbraw/zinc/34/84/73/1194348473.db2.gz XARQYHQWTRDNNE-HNNXBMFYSA-N 1 0 387.550 0.211 20 30 GCEDRO CC(C)[C@@H](C#N)N1CCN(C(=O)CSc2nnnn2CC[NH+](C)C)CC1 ZINC000502873703 1194363781 /nfs/dbraw/zinc/36/37/81/1194363781.db2.gz ZZUNZIJDJMBKOQ-CQSZACIVSA-N 1 0 380.522 0.019 20 30 GCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@@H]1CCN(Cc2ccc(C#N)cc2)C1=O ZINC000422388136 1194632519 /nfs/dbraw/zinc/63/25/19/1194632519.db2.gz LGRLCYUQGHVKRB-QZTJIDSGSA-N 1 0 397.479 0.328 20 30 GCEDRO C=CCCOCCNC(=O)C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000422407201 1194639304 /nfs/dbraw/zinc/63/93/04/1194639304.db2.gz YUSXPVFJCPULBO-UHFFFAOYSA-N 1 0 380.533 0.714 20 30 GCEDRO Cc1cnc(CCNC(=O)C(=O)N(CC[NH+](C)C)Cc2ccc(C#N)cc2)cn1 ZINC000422463651 1194650404 /nfs/dbraw/zinc/65/04/04/1194650404.db2.gz KEXOPEYXSHFMBM-UHFFFAOYSA-N 1 0 394.479 0.906 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CCC[C@H](CC[NH3+])C3)CC2)cc1 ZINC000423009010 1194716937 /nfs/dbraw/zinc/71/69/37/1194716937.db2.gz BODKVYPLPSMVFB-GOSISDBHSA-N 1 0 383.496 0.790 20 30 GCEDRO N#Cc1ccc(CN2CCN(C(=O)C(=O)N3CC[C@@]4(CC[NH2+]C4)C3)CC2)cc1 ZINC000423016654 1194717834 /nfs/dbraw/zinc/71/78/34/1194717834.db2.gz UGVFYDHKRFDMBW-OAQYLSRUSA-N 1 0 381.480 0.414 20 30 GCEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)C1 ZINC000423033421 1194720253 /nfs/dbraw/zinc/72/02/53/1194720253.db2.gz GPZAYGHHZQZLOR-VQIMIIECSA-N 1 0 383.496 0.788 20 30 GCEDRO C[C@H]1CN(C(=O)C(=O)N2CCCN(Cc3ccc(C#N)cc3)CC2)CC[C@@H]1[NH3+] ZINC000423039767 1194721144 /nfs/dbraw/zinc/72/11/44/1194721144.db2.gz RPBDAXXQVCVWFN-LPHOPBHVSA-N 1 0 383.496 0.788 20 30 GCEDRO N#Cc1ccc(CN2CCCN(C(=O)C(=O)N3C[C@H]4C[NH2+]CC[C@@H]4C3)CC2)cc1 ZINC000423041831 1194721952 /nfs/dbraw/zinc/72/19/52/1194721952.db2.gz XVUWYUSNBYYMAP-WOJBJXKFSA-N 1 0 395.507 0.660 20 30 GCEDRO CCCN(Cc1ccc(C#N)cc1)C(=O)C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000423119100 1194728496 /nfs/dbraw/zinc/72/84/96/1194728496.db2.gz DFRIRSQXFZLHDL-GOSISDBHSA-N 1 0 399.495 0.610 20 30 GCEDRO N#Cc1cccc(OC2CCN(C(=O)C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)c1 ZINC000423153621 1194731933 /nfs/dbraw/zinc/73/19/33/1194731933.db2.gz NLWBIFOUILLSIL-SJORKVTESA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(OC2CCN(C(=O)C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000423155483 1194732057 /nfs/dbraw/zinc/73/20/57/1194732057.db2.gz QLDAWYVLJMCHFA-DLBZAZTESA-N 1 0 382.464 0.996 20 30 GCEDRO N#Cc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)CC2)c(F)c1 ZINC000423215754 1194740783 /nfs/dbraw/zinc/74/07/83/1194740783.db2.gz OQLIHZQCKHYXNB-LZLYRXPVSA-N 1 0 399.470 0.932 20 30 GCEDRO C=CC1CCN(C(=O)C(=O)N2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CC1 ZINC000423307682 1194746098 /nfs/dbraw/zinc/74/60/98/1194746098.db2.gz NPGCCNNENYBRCP-DLBZAZTESA-N 1 0 376.501 0.518 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCN1Cc1ccccc1 ZINC000423320699 1194747138 /nfs/dbraw/zinc/74/71/38/1194747138.db2.gz DQXPJHBOTYRIKS-YRPNKDGESA-N 1 0 395.507 0.809 20 30 GCEDRO N#Cc1cccc(N2CCN(C(=O)C(=O)N3CCC4(CC[NH2+]CC4)CC3)CC2)n1 ZINC000423423919 1194754282 /nfs/dbraw/zinc/75/42/82/1194754282.db2.gz DYLSZVLNYQMWGB-UHFFFAOYSA-N 1 0 396.495 0.594 20 30 GCEDRO C=CCN1CC[C@H](N(C)C(=O)C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1=O ZINC000423494630 1194760923 /nfs/dbraw/zinc/76/09/23/1194760923.db2.gz SLJQNTNKLUFAPZ-HOTGVXAUSA-N 1 0 376.501 0.468 20 30 GCEDRO N#C[C@@H]1CN(C(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C[C@@]12C(=O)Nc1ccccc12 ZINC000423557057 1194763240 /nfs/dbraw/zinc/76/32/40/1194763240.db2.gz HNXAWOMZYGGHCC-VKQVCWQJSA-N 1 0 393.447 0.211 20 30 GCEDRO CC1(C)CN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)CC[NH2+]1 ZINC000423560745 1194764112 /nfs/dbraw/zinc/76/41/12/1194764112.db2.gz LMEVFTXYROGXCP-RBZFPXEDSA-N 1 0 381.436 0.069 20 30 GCEDRO N#Cc1ccc(OC2CN(C(=O)C(=O)N3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000423569822 1194768212 /nfs/dbraw/zinc/76/82/12/1194768212.db2.gz TZMJHSVVZCCLMK-SJORKVTESA-N 1 0 382.464 0.996 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2C[C@@H](C#N)[C@]3(C2)c2ccccc2NC3=O)C[C@@]1(C)C[NH3+] ZINC000423572007 1194768529 /nfs/dbraw/zinc/76/85/29/1194768529.db2.gz WOSCGHJFFZTWGE-VMHCRYLRSA-N 1 0 395.463 0.302 20 30 GCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)N1C[C@@H](C#N)[C@]2(C1)c1ccccc1NC2=O ZINC000423587203 1194771656 /nfs/dbraw/zinc/77/16/56/1194771656.db2.gz DUGWFBJYMJLESF-LAPQFRIASA-N 1 0 381.436 0.069 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(c2snc(C)c2C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000423636075 1194776152 /nfs/dbraw/zinc/77/61/52/1194776152.db2.gz AYHJOXFGULMPAT-AWEZNQCLSA-N 1 0 390.513 0.572 20 30 GCEDRO C[C@@H]1CN(C(=O)C(=O)N2CCC(C(=O)Nc3cccc(C#N)c3)CC2)[C@@H](C)C[NH2+]1 ZINC000423642537 1194776893 /nfs/dbraw/zinc/77/68/93/1194776893.db2.gz XDEBSYRQXDDZQB-CABCVRRESA-N 1 0 397.479 0.944 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000423643644 1194777339 /nfs/dbraw/zinc/77/73/39/1194777339.db2.gz CUYWYTJHTAUQBP-LJQANCHMSA-N 1 0 383.496 0.803 20 30 GCEDRO N#Cc1ccc(O[C@@H]2CCN(C(=O)C(=O)N3CCC([C@H]4CCC[NH2+]4)CC3)C2)nc1 ZINC000423655769 1194780102 /nfs/dbraw/zinc/78/01/02/1194780102.db2.gz BYNYUQGPNNAJIP-QZTJIDSGSA-N 1 0 397.479 0.924 20 30 GCEDRO CCCN(C(=O)C(=O)N1CCN(Cc2ccccc2)[C@H](C#N)C1)[C@H]1CC[NH2+]C1 ZINC000423666679 1194782001 /nfs/dbraw/zinc/78/20/01/1194782001.db2.gz SLUSFASHTVNEIQ-RBUKOAKNSA-N 1 0 383.496 0.823 20 30 GCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000423683405 1194785353 /nfs/dbraw/zinc/78/53/53/1194785353.db2.gz PHMBMRDLAOLYER-LPHOPBHVSA-N 1 0 383.496 0.931 20 30 GCEDRO C[NH2+]CCC1CCN(C(=O)C(=O)N2CC[C@@H](Oc3ccc(C#N)cn3)C2)CC1 ZINC000423710611 1194787545 /nfs/dbraw/zinc/78/75/45/1194787545.db2.gz QAIXDELKRIGZNG-QGZVFWFLSA-N 1 0 385.468 0.781 20 30 GCEDRO C[C@@H]1CCCN(C(=O)C(=O)N2C[C@H](C#N)[C@@]3(C2)c2ccccc2NC3=O)[C@@H]1C[NH3+] ZINC000423719738 1194788675 /nfs/dbraw/zinc/78/86/75/1194788675.db2.gz CVHWTRREQJLUES-XGHMHFBMSA-N 1 0 395.463 0.444 20 30 GCEDRO Cc1nsc(N2CCN(C(=O)C(=O)N3CCC[C@H]([C@@H](C)[NH3+])C3)CC2)c1C#N ZINC000423725052 1194789221 /nfs/dbraw/zinc/78/92/21/1194789221.db2.gz HHSNQEUIATWYEZ-OCCSQVGLSA-N 1 0 390.513 0.558 20 30 GCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000424076471 1194800733 /nfs/dbraw/zinc/80/07/33/1194800733.db2.gz MASDETCLZWNDCP-CQSZACIVSA-N 1 0 386.424 0.819 20 30 GCEDRO COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]([NH3+])CCCC#N)CC2)cc1 ZINC000424086059 1194801802 /nfs/dbraw/zinc/80/18/02/1194801802.db2.gz ZZAHTLJYAXPSJK-MRXNPFEDSA-N 1 0 380.470 0.549 20 30 GCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 ZINC000424083915 1194801828 /nfs/dbraw/zinc/80/18/28/1194801828.db2.gz XTCSQPIJJDWTJI-ZDUSSCGKSA-N 1 0 395.441 0.449 20 30 GCEDRO Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCN(c3nccnc3C#N)C[C@@H]2C)c1 ZINC000424442556 1194811573 /nfs/dbraw/zinc/81/15/73/1194811573.db2.gz ANPFBNQFWLKQMF-AWEZNQCLSA-N 1 0 393.451 0.791 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000424544400 1194823002 /nfs/dbraw/zinc/82/30/02/1194823002.db2.gz KQONQOAEKFPAFN-WNHJNPCNSA-N 1 0 387.480 0.964 20 30 GCEDRO CN(CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000434450869 1194845316 /nfs/dbraw/zinc/84/53/16/1194845316.db2.gz VHNGJAKUERULFZ-MRXNPFEDSA-N 1 0 394.497 0.142 20 30 GCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2NC(=O)N(c3ccc(C#N)cc3)C2=O)C1 ZINC000505526257 1194870978 /nfs/dbraw/zinc/87/09/78/1194870978.db2.gz BFGIAGKROOJOLL-WBVHZDCISA-N 1 0 399.451 0.600 20 30 GCEDRO C[C@@H]1CN(C(=O)[C@@H]2CN(C(=O)CCS)C[C@H]2c2cn(C)cn2)C[C@@H](C)O1 ZINC001269883897 1194879623 /nfs/dbraw/zinc/87/96/23/1194879623.db2.gz XFRIIVAGSDPHPQ-KBUPBQIOSA-N 1 0 380.514 0.918 20 30 GCEDRO C=C(CNC(=O)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1)c1ccccc1 ZINC000510019935 1194894770 /nfs/dbraw/zinc/89/47/70/1194894770.db2.gz ZBMHSEIRZYSBJZ-UHFFFAOYSA-N 1 0 398.467 0.329 20 30 GCEDRO COCC[N@H+](C)CCN1C[C@@H](NC(=O)c2ncc(C#N)cc2Cl)CC1=O ZINC000425322777 1194913470 /nfs/dbraw/zinc/91/34/70/1194913470.db2.gz TYYYBEVQTZZAMI-ZDUSSCGKSA-N 1 0 379.848 0.516 20 30 GCEDRO N#Cc1cc(F)ccc1NC(=O)C(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000435651537 1194952425 /nfs/dbraw/zinc/95/24/25/1194952425.db2.gz UWJHLXIFRXIAHS-GFCCVEGCSA-N 1 0 375.404 0.339 20 30 GCEDRO N#Cc1c(F)cccc1N1CCN(C(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC1 ZINC000515233098 1194959419 /nfs/dbraw/zinc/95/94/19/1194959419.db2.gz NLRJSOFGOXJWEI-GJZGRUSLSA-N 1 0 385.443 0.414 20 30 GCEDRO C=CCn1cc(CNC(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)nn1 ZINC000425438215 1194979455 /nfs/dbraw/zinc/97/94/55/1194979455.db2.gz CLYQCVWSYXQETM-UHFFFAOYSA-N 1 0 399.503 0.656 20 30 GCEDRO COCC(C)(C)[NH+]1CCN(CC(=O)N2CCN([C@@H](C#N)C(C)C)CC2)CC1 ZINC000425507371 1194994983 /nfs/dbraw/zinc/99/49/83/1194994983.db2.gz QHDLGBFHTKMOOJ-SFHVURJKSA-N 1 0 379.549 0.721 20 30 GCEDRO C#CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)cc1 ZINC001270071014 1194995004 /nfs/dbraw/zinc/99/50/04/1194995004.db2.gz JHHXQTIQSAPHCS-IBSXHGQTSA-N 1 0 381.476 0.954 20 30 GCEDRO CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000515846213 1195000869 /nfs/dbraw/zinc/00/08/69/1195000869.db2.gz KHRDRVXJKQKPMT-OAHLLOKOSA-N 1 0 377.474 0.351 20 30 GCEDRO COCc1nc2n(n1)C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cn1)CC2 ZINC000516276716 1195039385 /nfs/dbraw/zinc/03/93/85/1195039385.db2.gz JQMPUYOHINVFJL-ZDUSSCGKSA-N 1 0 376.442 0.069 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000437034711 1195060229 /nfs/dbraw/zinc/06/02/29/1195060229.db2.gz VEYULERGTCQOEU-YOEHRIQHSA-N 1 0 375.473 1.186 20 30 GCEDRO CN(CC(=O)NCC1([NH+](C)C)CCOCC1)S(=O)(=O)c1ccc(C#N)cc1 ZINC000506012209 1195091672 /nfs/dbraw/zinc/09/16/72/1195091672.db2.gz ICPIONSVUSDYQZ-UHFFFAOYSA-N 1 0 394.497 0.406 20 30 GCEDRO C=CCn1cc(CNC(=O)C(=O)Nc2ccc(OC3CC[NH+](C)CC3)nc2)nn1 ZINC000425794171 1195100619 /nfs/dbraw/zinc/10/06/19/1195100619.db2.gz APFDOEOXDGAHDX-UHFFFAOYSA-N 1 0 399.455 0.587 20 30 GCEDRO CC(=O)c1ccc(S(=O)(=O)NCCC(=O)NC2(C#N)CC[NH+](C)CC2)cc1 ZINC000549990787 1195107087 /nfs/dbraw/zinc/10/70/87/1195107087.db2.gz QPCVPGFVQVSPCG-UHFFFAOYSA-N 1 0 392.481 0.662 20 30 GCEDRO CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)N(C)C[C@H](C)C#N)cc2)CC1 ZINC000437416060 1195108445 /nfs/dbraw/zinc/10/84/45/1195108445.db2.gz VYCVUNNNGKIOGD-MRXNPFEDSA-N 1 0 399.495 0.950 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000516993558 1195121890 /nfs/dbraw/zinc/12/18/90/1195121890.db2.gz XASNJSUMKJSOGE-BVBHFADKSA-N 1 0 393.528 0.968 20 30 GCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C(=O)Nc3ccccc3-n3cnc(C#N)n3)[C@@H]2C1 ZINC000425822431 1195124793 /nfs/dbraw/zinc/12/47/93/1195124793.db2.gz TXZKULHLUMYHEY-XJKSGUPXSA-N 1 0 379.424 0.630 20 30 GCEDRO N#Cc1ccc(N2CCC[C@@H](NC(=O)C(=O)N3CCC(CC[NH3+])CC3)C2=O)cc1 ZINC000517035552 1195126822 /nfs/dbraw/zinc/12/68/22/1195126822.db2.gz JXMJVEUZVJYYKC-GOSISDBHSA-N 1 0 397.479 0.757 20 30 GCEDRO N#Cc1cccc(CN2C(=O)CC[C@H]2C(=O)NCCC[N@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000473583227 1195161889 /nfs/dbraw/zinc/16/18/89/1195161889.db2.gz QDXHNICVZIBXJP-MSOLQXFVSA-N 1 0 397.479 0.505 20 30 GCEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N2CCN(c3cnccc3C#N)CC2)C1 ZINC000517883235 1195226212 /nfs/dbraw/zinc/22/62/12/1195226212.db2.gz ISHYCSFKKDMBOQ-QGZVFWFLSA-N 1 0 398.511 0.792 20 30 GCEDRO C[NH+]1CCC(n2c(=O)c(=Cc3ccco3)sc2=C(C#N)C(=O)NC2CC2)CC1 ZINC000517990547 1195235549 /nfs/dbraw/zinc/23/55/49/1195235549.db2.gz AXUYOEAQTNOXNN-UHFFFAOYSA-N 1 0 398.488 0.551 20 30 GCEDRO CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N(CCC#N)CCC[NH+](C)C)c1 ZINC000438743930 1195244724 /nfs/dbraw/zinc/24/47/24/1195244724.db2.gz GMUDNJDENHEJNW-UHFFFAOYSA-N 1 0 389.456 0.687 20 30 GCEDRO CC(=O)N1CCN(CCNC(=[NH2+])N2CCN(c3ccc(Cl)cc3)CC2)CC1 ZINC000261964087 1195273694 /nfs/dbraw/zinc/27/36/94/1195273694.db2.gz AIOJHGSOWXBHJD-UHFFFAOYSA-N 1 0 392.935 0.941 20 30 GCEDRO C[NH+]1CCC(C#N)(NC(=O)CSc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000518300452 1195276375 /nfs/dbraw/zinc/27/63/75/1195276375.db2.gz QVHHVPVWRNZDRU-UHFFFAOYSA-N 1 0 377.426 0.890 20 30 GCEDRO C[NH+](C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc(C#N)cc1Cl ZINC000439636591 1195338053 /nfs/dbraw/zinc/33/80/53/1195338053.db2.gz DJMYZBQYGLFEIU-UHFFFAOYSA-N 1 0 382.848 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C[NH+]1CCC(C#N)(NC(=O)CN2C(=O)N[C@]3(CCCC(C)(C)C3)C2=O)CC1 ZINC000532283253 1197138549 /nfs/dbraw/zinc/13/85/49/1197138549.db2.gz BJZXCJHJFSLRGT-IBGZPJMESA-N 1 0 375.473 0.981 20 30 GCEDRO CC[NH+]=C(NCC1(O)CCC1)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000262804934 1197167844 /nfs/dbraw/zinc/16/78/44/1197167844.db2.gz SEYYXUNREXYGRY-QZTJIDSGSA-N 1 0 393.576 0.989 20 30 GCEDRO CC[NH+]=C(NC[C@]1(N(C)C)CCSC1)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000262806278 1197167947 /nfs/dbraw/zinc/16/79/47/1197167947.db2.gz SIWDSCHNFOSLIY-VQIMIIECSA-N 1 0 397.589 0.712 20 30 GCEDRO C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCCc2[nH]nc(N)c2C#N)cc1 ZINC000102810780 1197254786 /nfs/dbraw/zinc/25/47/86/1197254786.db2.gz CGBMSGKCKLYXHV-UHFFFAOYSA-N 1 0 383.456 0.655 20 30 GCEDRO N#Cc1cccc(CNC(=O)C(=O)N[C@H]2CCCN(CCN3CCOCC3)C2)c1 ZINC000897434437 1197274634 /nfs/dbraw/zinc/27/46/34/1197274634.db2.gz UBOHJUTYBTWEII-IBGZPJMESA-N 1 0 399.495 0.087 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)C1=O ZINC000428554176 1197275229 /nfs/dbraw/zinc/27/52/29/1197275229.db2.gz RBUYYQCGVMSWIC-OAHLLOKOSA-N 1 0 386.408 0.169 20 30 GCEDRO COC1CC[NH+](CCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C#N)cc2)CC1 ZINC000610811497 1197289194 /nfs/dbraw/zinc/28/91/94/1197289194.db2.gz JLGSCVMLVPJMGV-CQSZACIVSA-N 1 0 394.497 0.452 20 30 GCEDRO N#Cc1ccsc1NC(=O)CC[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000533383687 1197448633 /nfs/dbraw/zinc/44/86/33/1197448633.db2.gz XUYFXEKDUKZCQQ-KGLIPLIRSA-N 1 0 398.510 0.036 20 30 GCEDRO N#Cc1ccc(-c2noc([C@H](CO)NC(=O)[C@@H]([NH3+])Cc3ccc(O)cc3)n2)nc1 ZINC001212000521 1197470002 /nfs/dbraw/zinc/47/00/02/1197470002.db2.gz KYCWCRNVNBXRFC-HOCLYGCPSA-N 1 0 394.391 0.428 20 30 GCEDRO CC[N@H+](CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](C#N)C1)C(C)C ZINC001746312968 1197497180 /nfs/dbraw/zinc/49/71/80/1197497180.db2.gz KBZHCGPUTFUQIG-OAHLLOKOSA-N 1 0 377.493 0.875 20 30 GCEDRO C[NH+]=C(NCc1cn2ccccc2n1)N1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000261780399 1197514502 /nfs/dbraw/zinc/51/45/02/1197514502.db2.gz PFWLFKFQXLCRLA-LJQANCHMSA-N 1 0 383.456 0.720 20 30 GCEDRO C=CCN(C(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000262008145 1197522270 /nfs/dbraw/zinc/52/22/70/1197522270.db2.gz FFQCAUURBMIISZ-KSSFIOAISA-N 1 0 385.472 0.837 20 30 GCEDRO C=CCNS(=O)(=O)c1cccc(C(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000262148817 1197524693 /nfs/dbraw/zinc/52/46/93/1197524693.db2.gz YQVJDBBUBJVRNA-INIZCTEOSA-N 1 0 378.498 0.271 20 30 GCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccc(S(=O)(=O)NCCOC)cc1 ZINC000729809559 1197524774 /nfs/dbraw/zinc/52/47/74/1197524774.db2.gz LSXZMHXGBKWZSZ-INIZCTEOSA-N 1 0 380.466 0.866 20 30 GCEDRO C#CC[C@@H]([NH2+]CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)c1ccccc1 ZINC000271733261 1197559035 /nfs/dbraw/zinc/55/90/35/1197559035.db2.gz SSVZIYWMVPROGC-RBUKOAKNSA-N 1 0 389.521 0.672 20 30 GCEDRO C#Cc1cc(F)c(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c(F)c1 ZINC000271783874 1197559105 /nfs/dbraw/zinc/55/91/05/1197559105.db2.gz LFLVOLNRHNVDQI-ZDUSSCGKSA-N 1 0 378.423 0.884 20 30 GCEDRO C=CCNC(=O)CNC(=O)C(=O)Nc1ccccc1OCC[NH+](CC)CC ZINC000271991230 1197559909 /nfs/dbraw/zinc/55/99/09/1197559909.db2.gz ITKSADWZZAKDRC-UHFFFAOYSA-N 1 0 376.457 0.764 20 30 GCEDRO C=CCNC(=O)CNC(=O)NCc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000272048651 1197560427 /nfs/dbraw/zinc/56/04/27/1197560427.db2.gz XJRPOTNWZPVUEZ-QGZVFWFLSA-N 1 0 387.484 0.485 20 30 GCEDRO C=CCN(CCc1ccco1)CC(=O)c1c(N)n(CCOC)c(=O)[nH]c1=O ZINC000272244888 1197561373 /nfs/dbraw/zinc/56/13/73/1197561373.db2.gz HDJWBKUWWIYDSG-UHFFFAOYSA-N 1 0 376.413 0.684 20 30 GCEDRO C=CCN1C(=O)C(=O)N(CC(=O)N2C[C@@H]([NH+]3CCCC3)[C@@H](SC)C2)C1=O ZINC000273501574 1197565896 /nfs/dbraw/zinc/56/58/96/1197565896.db2.gz MGNZPPVGWOVEGW-OLZOCXBDSA-N 1 0 380.470 0.001 20 30 GCEDRO Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NC2(C#N)CC[NH+](C)CC2)[C@H](C)O)cc1 ZINC000542784005 1199041193 /nfs/dbraw/zinc/04/11/93/1199041193.db2.gz YSRPDLHZLUGMBV-GOEBONIOSA-N 1 0 394.497 0.127 20 30 GCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)N[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000542801256 1199051750 /nfs/dbraw/zinc/05/17/50/1199051750.db2.gz QWWVTWCCZPVGAG-QZTJIDSGSA-N 1 0 384.484 0.599 20 30 GCEDRO Cn1c(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)c(C#N)c(=O)n(C)c1=O ZINC000265774315 1199161911 /nfs/dbraw/zinc/16/19/11/1199161911.db2.gz JOAXAKXHYTWVEN-NVXWUHKLSA-N 1 0 383.452 0.251 20 30 GCEDRO CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)S(=O)(=O)N1CCO[C@@H](C#N)C1 ZINC000499495739 1199168771 /nfs/dbraw/zinc/16/87/71/1199168771.db2.gz RCUGXSWXBMLILC-ULQDDVLXSA-N 1 0 379.486 0.475 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2C[C@H](C)OC3(CCOCC3)C2)CC1 ZINC000672356887 1199215230 /nfs/dbraw/zinc/21/52/30/1199215230.db2.gz UUEVEKZIWKCURV-INIZCTEOSA-N 1 0 379.501 0.940 20 30 GCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(=O)N2CCN(c3nccnc3C)CC2)CC1 ZINC000672356485 1199215394 /nfs/dbraw/zinc/21/53/94/1199215394.db2.gz NFQHWTVXMOVFAO-UHFFFAOYSA-N 1 0 386.500 0.590 20 30 GCEDRO C=CC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000672355181 1199216925 /nfs/dbraw/zinc/21/69/25/1199216925.db2.gz RVWJNAXZDFJRKE-INIZCTEOSA-N 1 0 399.495 0.247 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2cc[n+]([O-])cc2)CC1 ZINC001003363723 1199510767 /nfs/dbraw/zinc/51/07/67/1199510767.db2.gz SRMBRIVFDWIKKQ-QRVBRYPASA-N 1 0 382.464 0.527 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2N3C(=O)c2ccnc(C)n2)CC1 ZINC001003365861 1199514258 /nfs/dbraw/zinc/51/42/58/1199514258.db2.gz QDEKOYJSVIYQHX-QRQLOZEOSA-N 1 0 381.480 0.992 20 30 GCEDRO CC(C)[N@@H+]1CCO[C@@H](CN2CCN([C@H](C(N)=O)c3ccc(C#N)cc3)CC2)C1 ZINC000115542601 1199521847 /nfs/dbraw/zinc/52/18/47/1199521847.db2.gz LQQZSFNISVKSBU-PMACEKPBSA-N 1 0 385.512 0.811 20 30 GCEDRO COc1cc(C#N)ccc1OCC[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000265846554 1199653601 /nfs/dbraw/zinc/65/36/01/1199653601.db2.gz OXQYOVQQAQVOLQ-JKSUJKDBSA-N 1 0 395.481 0.033 20 30 GCEDRO C[C@@H]1C[N@@H+](CCC(=O)N(C)CCC#N)C[C@H](C)N1CCC(=O)N(C)CCC#N ZINC000499763577 1199713680 /nfs/dbraw/zinc/71/36/80/1199713680.db2.gz PKGLFMOISGZCNP-HDICACEKSA-N 1 0 390.532 0.905 20 30 GCEDRO CN(CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21)S(=O)(=O)c1ccc(C#N)cc1 ZINC000329430737 1199841443 /nfs/dbraw/zinc/84/14/43/1199841443.db2.gz KFKKBBVBUXCLRF-RDJZCZTQSA-N 1 0 376.482 0.731 20 30 GCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)C2CCOCC2)CC1 ZINC000329607778 1199845336 /nfs/dbraw/zinc/84/53/36/1199845336.db2.gz QQAMQPNMXYRRTL-OAHLLOKOSA-N 1 0 388.534 0.557 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CN(CCc2nnn(C(C)(C)C)n2)C[C@@H]1O ZINC001083853302 1200140312 /nfs/dbraw/zinc/14/03/12/1200140312.db2.gz NAAVRASORGGWCZ-IVSAIRAKSA-N 1 0 392.504 0.113 20 30 GCEDRO COCCN(CCC#N)S(=O)(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000282518158 1200166990 /nfs/dbraw/zinc/16/69/90/1200166990.db2.gz BOTJVYTYEFZUHS-UHFFFAOYSA-N 1 0 398.529 0.866 20 30 GCEDRO Cc1nc(C#N)c(N2CCN(C(=O)CN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC2)o1 ZINC000139988341 1200187247 /nfs/dbraw/zinc/18/72/47/1200187247.db2.gz DEEGYSGGQKVPFX-AEFFLSMTSA-N 1 0 386.500 0.919 20 30 GCEDRO C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCC(OC)CC2)cc1 ZINC000674324318 1200220572 /nfs/dbraw/zinc/22/05/72/1200220572.db2.gz RIELDGQMDSGXQB-UHFFFAOYSA-N 1 0 381.498 0.992 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)N2[C@@H]3CC[C@H]2[C@H](NC(=O)[C@]2(F)CCOC2)C3)CC1 ZINC001005342078 1200258491 /nfs/dbraw/zinc/25/84/91/1200258491.db2.gz UMIXLWPCRQZBID-WWNBULGVSA-N 1 0 377.460 0.708 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1OC ZINC000946822205 1200315653 /nfs/dbraw/zinc/31/56/53/1200315653.db2.gz KFRXTBSYGYCLRQ-WCXIOVBPSA-N 1 0 379.501 0.651 20 30 GCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1OC ZINC000946822342 1200316525 /nfs/dbraw/zinc/31/65/25/1200316525.db2.gz QIWXJCXBCYJTBM-ZJPYXAASSA-N 1 0 379.501 0.651 20 30 GCEDRO C#CC[NH+]1CCC(C(=O)NCc2nn(C)cc2I)CC1 ZINC001129102025 1200464208 /nfs/dbraw/zinc/46/42/08/1200464208.db2.gz ZYGZXQFUTZXWKD-UHFFFAOYSA-N 1 0 386.237 0.986 20 30 GCEDRO CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNc1ccc(C#N)cn1 ZINC000428977504 1200665255 /nfs/dbraw/zinc/66/52/55/1200665255.db2.gz IXQVHZXKMQEUCS-OAQYLSRUSA-N 1 0 379.464 1.461 20 30 GCEDRO C[NH+]1CCC(n2ccc(NC(=O)C(=O)NCC#Cc3cccc(F)c3)n2)CC1 ZINC000549332775 1200673214 /nfs/dbraw/zinc/67/32/14/1200673214.db2.gz LWVVGWKGXOTTMC-UHFFFAOYSA-N 1 0 383.427 1.395 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)n2)c(Cl)c1 ZINC000415296861 1200684003 /nfs/dbraw/zinc/68/40/03/1200684003.db2.gz CSCMIGFDSURFON-UHFFFAOYSA-N 1 0 386.843 1.533 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)C(=O)NC[C@@H]3CCC[NH2+]C3)n2)c(Cl)c1 ZINC000415331430 1200685392 /nfs/dbraw/zinc/68/53/92/1200685392.db2.gz MJXGTJHBFYPZIX-CYBMUJFWSA-N 1 0 386.843 1.452 20 30 GCEDRO N#Cc1ccc(-n2ccc(NC(=O)NCC(=O)N3CC[NH2+]CC3)n2)c(Cl)c1 ZINC000567452463 1200688152 /nfs/dbraw/zinc/68/81/52/1200688152.db2.gz YZUKAFIZCNCYSC-UHFFFAOYSA-N 1 0 387.831 0.951 20 30 GCEDRO C[N@H+]1C[C@H]2CN(C(=O)C(=O)Nc3ccn(-c4ccc(C#N)cc4Cl)n3)C[C@H]2C1 ZINC000427851327 1200688356 /nfs/dbraw/zinc/68/83/56/1200688356.db2.gz LBOBWZQZCWQPLM-OKILXGFUSA-N 1 0 398.854 1.356 20 30 GCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1C#N ZINC000598651027 1200727935 /nfs/dbraw/zinc/72/79/35/1200727935.db2.gz VSAOHRAHBUHIBY-FQEVSTJZSA-N 1 0 380.452 1.220 20 30 GCEDRO CC(C)[NH+]1CCC(O)(CNC(=O)C(=O)Nc2nn(C(C)(C)C)cc2C#N)CC1 ZINC000538102043 1200733953 /nfs/dbraw/zinc/73/39/53/1200733953.db2.gz FUMRJJUVXGCINE-UHFFFAOYSA-N 1 0 390.488 0.800 20 30 GCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1(CCO)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001487036537 1200802815 /nfs/dbraw/zinc/80/28/15/1200802815.db2.gz UPXABWSYCOTKMR-FJIDUMEYSA-N 1 0 393.528 0.778 20 30 GCEDRO CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2nn(-c3ccc(C#N)cn3)cc2C)C1 ZINC000460577624 1200846764 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