smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=C(C)C[NH+]1CCC([NH2+][C@H](CC)C2CC2)CC1 ZINC000153041165 136212570 /nfs/dbraw/zinc/21/25/70/136212570.db2.gz DAKOVZYBBYLUGW-OAHLLOKOSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[NH+](C)[C@H](C)CC[N@@H+](C)CCC=C ZINC000276400422 538932210 /nfs/dbraw/zinc/93/22/10/538932210.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCC[NH+](C)CC[C@@H](C)[N@H+](C)CCC=C ZINC000276400422 538932212 /nfs/dbraw/zinc/93/22/12/538932212.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCC[NH+](C)CC[C@@H](C)[N@@H+](C)CCC=C ZINC000276400422 538932214 /nfs/dbraw/zinc/93/22/14/538932214.db2.gz KMOKKVZPECRKCV-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344290826 365677017 /nfs/dbraw/zinc/67/70/17/365677017.db2.gz CVQGVIJZTAGCAX-ZNMIVQPWSA-N 2 1 236.403 2.948 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)CCC#N)CC1 ZINC000602538347 349604617 /nfs/dbraw/zinc/60/46/17/349604617.db2.gz FGLRSOCKJHJHQU-AWEZNQCLSA-N 2 1 249.402 2.556 20 30 BFEDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602674545 349668492 /nfs/dbraw/zinc/66/84/92/349668492.db2.gz DWNFDEPSVAOZMV-ZIAGYGMSSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602674545 349668493 /nfs/dbraw/zinc/66/84/93/349668493.db2.gz DWNFDEPSVAOZMV-ZIAGYGMSSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000625704709 344049533 /nfs/dbraw/zinc/04/95/33/344049533.db2.gz ZXTXKPRATLYGTD-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2C2CC2)CC1 ZINC000348115096 537840824 /nfs/dbraw/zinc/84/08/24/537840824.db2.gz GYTRRDTZRIOWTK-HZPDHXFCSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358617049 344669649 /nfs/dbraw/zinc/66/96/49/344669649.db2.gz RKJRHYGIEAMBJQ-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358617049 344669651 /nfs/dbraw/zinc/66/96/51/344669651.db2.gz RKJRHYGIEAMBJQ-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000358617049 344669654 /nfs/dbraw/zinc/66/96/54/344669654.db2.gz RKJRHYGIEAMBJQ-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000358617049 344669656 /nfs/dbraw/zinc/66/96/56/344669656.db2.gz RKJRHYGIEAMBJQ-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309715267 347146807 /nfs/dbraw/zinc/14/68/07/347146807.db2.gz SODZJGPMYLGZGC-BFHYXJOUSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310002313 347217902 /nfs/dbraw/zinc/21/79/02/347217902.db2.gz FHMSEMZZUIKXPX-RDBSUJKOSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310002313 347217903 /nfs/dbraw/zinc/21/79/03/347217903.db2.gz FHMSEMZZUIKXPX-RDBSUJKOSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322683886 259397910 /nfs/dbraw/zinc/39/79/10/259397910.db2.gz HOUAJDZMIVDBTP-FUDCBSFHSA-N 2 1 222.376 2.556 20 30 BFEDMP N#CC1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000596651774 348606399 /nfs/dbraw/zinc/60/63/99/348606399.db2.gz NLANVGRXGBTESF-ZIAGYGMSSA-N 2 1 249.402 2.568 20 30 BFEDMP C=C(C)C[N@@H+](CC)CCC[NH+]1CCCCC1 ZINC000161253913 349416458 /nfs/dbraw/zinc/41/64/58/349416458.db2.gz HLHYHLCDXONPCF-UHFFFAOYSA-N 2 1 224.392 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000638525507 352359299 /nfs/dbraw/zinc/35/92/99/352359299.db2.gz YLYKZYJXECPXFY-QDMKHBRRSA-N 2 1 248.414 2.663 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000127536097 353270315 /nfs/dbraw/zinc/27/03/15/353270315.db2.gz AUIVBIHRDPJOMO-MJBXVCDLSA-N 2 1 226.408 2.907 20 30 BFEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000336776173 353460928 /nfs/dbraw/zinc/46/09/28/353460928.db2.gz DYSXMBDOUNRRHF-KGLIPLIRSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336776174 353461262 /nfs/dbraw/zinc/46/12/62/353461262.db2.gz DYSXMBDOUNRRHF-UONOGXRCSA-N 2 1 224.392 2.663 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000167724763 134153541 /nfs/dbraw/zinc/15/35/41/134153541.db2.gz BXBVBEYKAUXYHN-FRRDWIJNSA-N 2 1 242.794 2.639 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]CC(C)(C)C)CC1 ZINC000106245015 134159718 /nfs/dbraw/zinc/15/97/18/134159718.db2.gz VZXLLIUCIFCFGM-UHFFFAOYSA-N 2 1 224.392 2.663 20 30 BFEDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423299119 192686730 /nfs/dbraw/zinc/68/67/30/192686730.db2.gz PHSJBWHEQJHMAO-IUODEOHRSA-N 2 1 245.370 2.726 20 30 BFEDMP CC#CCN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014767 359183853 /nfs/dbraw/zinc/18/38/53/359183853.db2.gz UHQKCIHFOVRPRX-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000579123465 366717717 /nfs/dbraw/zinc/71/77/17/366717717.db2.gz SKHDTDSCDRHDLF-ZIAGYGMSSA-N 2 1 247.386 2.954 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629539480 361406043 /nfs/dbraw/zinc/40/60/43/361406043.db2.gz MIIHJNYXKOMIHL-MELADBBJSA-N 2 1 224.392 2.851 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C(CC)CC)CC1 ZINC000153027657 201217366 /nfs/dbraw/zinc/21/73/66/201217366.db2.gz GMPNAYLDPANSAN-UHFFFAOYSA-N 2 1 224.392 2.805 20 30 BFEDMP C=C(C)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695921 367140064 /nfs/dbraw/zinc/14/00/64/367140064.db2.gz BHQNFUPNAQPDFV-KBPBESRZSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000072974856 368788766 /nfs/dbraw/zinc/78/87/66/368788766.db2.gz RAHNWYPNEWZBAJ-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000072974856 368788771 /nfs/dbraw/zinc/78/87/71/368788771.db2.gz RAHNWYPNEWZBAJ-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974856 368788777 /nfs/dbraw/zinc/78/87/77/368788777.db2.gz RAHNWYPNEWZBAJ-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000072974856 368788780 /nfs/dbraw/zinc/78/87/80/368788780.db2.gz RAHNWYPNEWZBAJ-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353972474 169197217 /nfs/dbraw/zinc/19/72/17/169197217.db2.gz OASCPAYNGOSDFL-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000353972474 169197219 /nfs/dbraw/zinc/19/72/19/169197219.db2.gz OASCPAYNGOSDFL-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157467932 385186839 /nfs/dbraw/zinc/18/68/39/385186839.db2.gz RYVKELOKRYADMP-CQSZACIVSA-N 2 1 222.376 2.513 20 30 BFEDMP C=C(C)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157467777 385187907 /nfs/dbraw/zinc/18/79/07/385187907.db2.gz RYVKELOKRYADMP-AWEZNQCLSA-N 2 1 222.376 2.513 20 30 BFEDMP N#CCCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157495299 385197798 /nfs/dbraw/zinc/19/77/98/385197798.db2.gz MITZZPBHSBJFAC-OAHLLOKOSA-N 2 1 249.402 2.631 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182183827 385434270 /nfs/dbraw/zinc/43/42/70/385434270.db2.gz UVXYSHYZOQULCB-BFHYXJOUSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182183827 385434275 /nfs/dbraw/zinc/43/42/75/385434275.db2.gz UVXYSHYZOQULCB-BFHYXJOUSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCCCC[N@@H+](C)CCn1cc[nH+]c1C ZINC000270886573 385755561 /nfs/dbraw/zinc/75/55/61/385755561.db2.gz OJCWMFJLKXYARY-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCCCC[N@H+](C)CCn1cc[nH+]c1C ZINC000270886573 385755566 /nfs/dbraw/zinc/75/55/66/385755566.db2.gz OJCWMFJLKXYARY-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830040 386706225 /nfs/dbraw/zinc/70/62/25/386706225.db2.gz AJVRBCVKMHLHES-JSGCOSHPSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000423401321 387237649 /nfs/dbraw/zinc/23/76/49/387237649.db2.gz QUSXBXCITZBRCP-IHRRRGAJSA-N 2 1 248.370 2.875 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000527927994 387793597 /nfs/dbraw/zinc/79/35/97/387793597.db2.gz SPEJQLFNXONKSW-KGLIPLIRSA-N 2 1 238.419 2.909 20 30 BFEDMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[C@H](C#N)C1 ZINC000442781919 387838832 /nfs/dbraw/zinc/83/88/32/387838832.db2.gz OXTUWYGOVJIDDR-SOUVJXGZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423052537 387859405 /nfs/dbraw/zinc/85/94/05/387859405.db2.gz QDXGEHFKCSMNOF-LLVKDONJSA-N 2 1 219.332 2.501 20 30 BFEDMP C=CCCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423084346 387878237 /nfs/dbraw/zinc/87/82/37/387878237.db2.gz HSSMJYDZCUXQSK-UKRRQHHQSA-N 2 1 232.371 2.501 20 30 BFEDMP C=CCCC[NH2+][C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423084347 387879239 /nfs/dbraw/zinc/87/92/39/387879239.db2.gz HSSMJYDZCUXQSK-ZFWWWQNUSA-N 2 1 232.371 2.501 20 30 BFEDMP C=CCCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423084344 387879385 /nfs/dbraw/zinc/87/93/85/387879385.db2.gz HSSMJYDZCUXQSK-DZGCQCFKSA-N 2 1 232.371 2.501 20 30 BFEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423259479 388039001 /nfs/dbraw/zinc/03/90/01/388039001.db2.gz DVTRJRRRQVCUSY-YUELXQCFSA-N 2 1 249.402 2.566 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000447510078 388074368 /nfs/dbraw/zinc/07/43/68/388074368.db2.gz OLAPCAIQOLHLJG-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267199 388045589 /nfs/dbraw/zinc/04/55/89/388045589.db2.gz SXDBMXDVDVMTSI-AVGNSLFASA-N 2 1 212.381 2.550 20 30 BFEDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423300466 388691705 /nfs/dbraw/zinc/69/17/05/388691705.db2.gz RRIUQYBTWPZSLO-IUODEOHRSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000565520933 388950824 /nfs/dbraw/zinc/95/08/24/388950824.db2.gz LOLCGZFUAJGYFM-UHFFFAOYSA-N 2 1 224.392 2.760 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000368041624 533297592 /nfs/dbraw/zinc/29/75/92/533297592.db2.gz UQQAKHHYLIPYBV-IJEWVQPXSA-N 2 1 248.414 2.641 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000368041629 533298395 /nfs/dbraw/zinc/29/83/95/533298395.db2.gz UQQAKHHYLIPYBV-YCPHGPKFSA-N 2 1 248.414 2.641 20 30 BFEDMP C#CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000361239889 134204307 /nfs/dbraw/zinc/20/43/07/134204307.db2.gz AILCJAHNAMVECK-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373970085 134235271 /nfs/dbraw/zinc/23/52/71/134235271.db2.gz LAUVDDUMGMQXQY-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373970085 134235272 /nfs/dbraw/zinc/23/52/72/134235272.db2.gz LAUVDDUMGMQXQY-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000337518973 135019211 /nfs/dbraw/zinc/01/92/11/135019211.db2.gz OCJKWGCZVMPYOX-HNNXBMFYSA-N 2 1 248.414 2.949 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923826 398099808 /nfs/dbraw/zinc/09/98/08/398099808.db2.gz GDVODNOREOSHKR-OLZOCXBDSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000071275375 409714378 /nfs/dbraw/zinc/71/43/78/409714378.db2.gz NTINZMADDLKFRM-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=CC[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661382128 410597164 /nfs/dbraw/zinc/59/71/64/410597164.db2.gz SKRQBZIWPIZSEL-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000661382128 410597168 /nfs/dbraw/zinc/59/71/68/410597168.db2.gz SKRQBZIWPIZSEL-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000661382128 410597177 /nfs/dbraw/zinc/59/71/77/410597177.db2.gz SKRQBZIWPIZSEL-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000651682856 411135673 /nfs/dbraw/zinc/13/56/73/411135673.db2.gz KICMQXXQJCZNGA-SNPRPXQTSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939223 411174779 /nfs/dbraw/zinc/17/47/79/411174779.db2.gz WAWFMMAROZGQSG-CVEARBPZSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CC[N@@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC000661757360 411869863 /nfs/dbraw/zinc/86/98/63/411869863.db2.gz GUDYMGLEQAHYFX-UHFFFAOYSA-N 2 1 235.375 2.639 20 30 BFEDMP C=CC[N@H+](CCCc1c[nH+]cn1C)C(C)(C)C ZINC000661757360 411869866 /nfs/dbraw/zinc/86/98/66/411869866.db2.gz GUDYMGLEQAHYFX-UHFFFAOYSA-N 2 1 235.375 2.639 20 30 BFEDMP C=CCCC[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000398110918 324217823 /nfs/dbraw/zinc/21/78/23/324217823.db2.gz MYTTWWWENYUIIC-CYBMUJFWSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000126821691 490519998 /nfs/dbraw/zinc/51/99/98/490519998.db2.gz UMTXGEFSRBXOFI-QWHCGFSZSA-N 2 1 212.381 2.661 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000358513773 534398667 /nfs/dbraw/zinc/39/86/67/534398667.db2.gz VFUKRTQFMALORF-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354226541 534711591 /nfs/dbraw/zinc/71/15/91/534711591.db2.gz WOCMQRKKJRHYHP-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226541 534711594 /nfs/dbraw/zinc/71/15/94/534711594.db2.gz WOCMQRKKJRHYHP-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226541 534711598 /nfs/dbraw/zinc/71/15/98/534711598.db2.gz WOCMQRKKJRHYHP-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP CCCCCCCC[N@@H+](C)C[C@@H](C)[NH3+] ZINC000111221311 582980126 /nfs/dbraw/zinc/98/01/26/582980126.db2.gz ODNCFUYHPQFDPL-GFCCVEGCSA-N 2 1 200.370 2.626 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000854231066 588781041 /nfs/dbraw/zinc/78/10/41/588781041.db2.gz DANSAOZRCOWNAA-STQMWFEESA-N 2 1 212.381 2.709 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000854231063 588781110 /nfs/dbraw/zinc/78/11/10/588781110.db2.gz DANSAOZRCOWNAA-CHWSQXEVSA-N 2 1 212.381 2.709 20 30 BFEDMP C[C@@]1(C[NH3+])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747217 584794524 /nfs/dbraw/zinc/79/45/24/584794524.db2.gz PSZWJVILIFBBJS-AWEZNQCLSA-N 2 1 249.402 2.521 20 30 BFEDMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903768834 584798057 /nfs/dbraw/zinc/79/80/57/584798057.db2.gz SBFJATQAXHIVIA-KBPBESRZSA-N 2 1 249.402 2.662 20 30 BFEDMP C=CCCC[N@H+](CC)CCC1CC[NH2+]CC1 ZINC000903850614 584808270 /nfs/dbraw/zinc/80/82/70/584808270.db2.gz VVGJIBOLKRIAIF-UHFFFAOYSA-N 2 1 224.392 2.664 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914042 584822339 /nfs/dbraw/zinc/82/23/39/584822339.db2.gz SXKZWJGIIBYAIB-DKUMPPAJSA-N 2 1 234.387 2.558 20 30 BFEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000767348488 585517302 /nfs/dbraw/zinc/51/73/02/585517302.db2.gz GWLRPIVGGUWXDU-UHFFFAOYSA-N 2 1 235.375 2.868 20 30 BFEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)C(C)C ZINC000767348488 585517303 /nfs/dbraw/zinc/51/73/03/585517303.db2.gz GWLRPIVGGUWXDU-UHFFFAOYSA-N 2 1 235.375 2.868 20 30 BFEDMP C=CCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000786579831 585895287 /nfs/dbraw/zinc/89/52/87/585895287.db2.gz UANFEZVIOALYEF-UHFFFAOYSA-N 2 1 232.371 2.756 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000809683413 586511729 /nfs/dbraw/zinc/51/17/29/586511729.db2.gz CKFCDMKRCMYVTD-IJEWVQPXSA-N 2 1 248.414 2.641 20 30 BFEDMP CCCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000116927268 589058523 /nfs/dbraw/zinc/05/85/23/589058523.db2.gz QFVYABBPZQTUIK-GASCZTMLSA-N 2 1 238.419 2.888 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703279 589513852 /nfs/dbraw/zinc/51/38/52/589513852.db2.gz HWXYPUMJUIAKFS-CQSZACIVSA-N 2 1 224.392 2.650 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000125501282 590166520 /nfs/dbraw/zinc/16/65/20/590166520.db2.gz JUFAVMQQOAZGDW-CHWSQXEVSA-N 2 1 212.381 2.626 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876936230 590258892 /nfs/dbraw/zinc/25/88/92/590258892.db2.gz TUNKGLZLAZVBHO-HZPDHXFCSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+](CC)C1 ZINC000876943297 590259319 /nfs/dbraw/zinc/25/93/19/590259319.db2.gz OZCLZHMZQAGFSV-OAHLLOKOSA-N 2 1 236.403 2.502 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000877026553 590271205 /nfs/dbraw/zinc/27/12/05/590271205.db2.gz BYSWBWXINRAGFV-HNNXBMFYSA-N 2 1 236.403 2.502 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000877546327 590353512 /nfs/dbraw/zinc/35/35/12/590353512.db2.gz QOFWYIKKLILOFI-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877546327 590353515 /nfs/dbraw/zinc/35/35/15/590353515.db2.gz QOFWYIKKLILOFI-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000877546327 590353518 /nfs/dbraw/zinc/35/35/18/590353518.db2.gz QOFWYIKKLILOFI-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000878123647 590500159 /nfs/dbraw/zinc/50/01/59/590500159.db2.gz CPQMDPMFAMORBL-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580461 590822690 /nfs/dbraw/zinc/82/26/90/590822690.db2.gz HXVYRTHFZVSQSN-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580461 590822692 /nfs/dbraw/zinc/82/26/92/590822692.db2.gz HXVYRTHFZVSQSN-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580461 590822694 /nfs/dbraw/zinc/82/26/94/590822694.db2.gz HXVYRTHFZVSQSN-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580461 590822695 /nfs/dbraw/zinc/82/26/95/590822695.db2.gz HXVYRTHFZVSQSN-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880260133 590980875 /nfs/dbraw/zinc/98/08/75/590980875.db2.gz BGBCAUMLCPFRBG-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000129031020 591208134 /nfs/dbraw/zinc/20/81/34/591208134.db2.gz FWIZURZHNFLWNO-QWHCGFSZSA-N 2 1 212.381 2.768 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000328099166 633237483 /nfs/dbraw/zinc/23/74/83/633237483.db2.gz KORPRNRYSYQKHW-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C)cc1 ZINC000328099166 633237488 /nfs/dbraw/zinc/23/74/88/633237488.db2.gz KORPRNRYSYQKHW-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](CCC[NH+](CC)CC)C1CCCC1 ZINC000191807340 636048389 /nfs/dbraw/zinc/04/83/89/636048389.db2.gz OHZFHMKCJUOXAY-UHFFFAOYSA-N 2 1 236.403 2.596 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000328229425 633742185 /nfs/dbraw/zinc/74/21/85/633742185.db2.gz CMBGLKVCGNTYRQ-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C[C@@H](C)CC ZINC000328229425 633742190 /nfs/dbraw/zinc/74/21/90/633742190.db2.gz CMBGLKVCGNTYRQ-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000328229422 633742719 /nfs/dbraw/zinc/74/27/19/633742719.db2.gz CMBGLKVCGNTYRQ-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C[C@H](C)CC ZINC000328229422 633742727 /nfs/dbraw/zinc/74/27/27/633742727.db2.gz CMBGLKVCGNTYRQ-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCC[NH+]1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315113 640152854 /nfs/dbraw/zinc/15/28/54/640152854.db2.gz UUJRDMJXKQNWHK-GJZGRUSLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518196 640245936 /nfs/dbraw/zinc/24/59/36/640245936.db2.gz NPLUMOYCKIZZCW-UHFFFAOYSA-N 2 1 245.370 2.768 20 30 BFEDMP C=CCCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931518196 640245940 /nfs/dbraw/zinc/24/59/40/640245940.db2.gz NPLUMOYCKIZZCW-UHFFFAOYSA-N 2 1 245.370 2.768 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000931620166 640288690 /nfs/dbraw/zinc/28/86/90/640288690.db2.gz FANIMYIWIATTDU-HZPDHXFCSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCC1([NH2+]CCCCn2cc[nH+]c2C)CCC1 ZINC000933299267 640702720 /nfs/dbraw/zinc/70/27/20/640702720.db2.gz QCZSTAWQMHVCHE-UHFFFAOYSA-N 2 1 245.370 2.507 20 30 BFEDMP C=CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C(C)C ZINC000168575938 640815925 /nfs/dbraw/zinc/81/59/25/640815925.db2.gz NZPXBVZREAZUCL-UHFFFAOYSA-N 2 1 244.382 2.729 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000303620665 644833625 /nfs/dbraw/zinc/83/36/25/644833625.db2.gz JJHIUSYHOVOCHP-CQSZACIVSA-N 2 1 224.392 2.642 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000252949383 644927106 /nfs/dbraw/zinc/92/71/06/644927106.db2.gz BXBVBEYKAUXYHN-JHJVBQTASA-N 2 1 242.794 2.639 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591576 646074530 /nfs/dbraw/zinc/07/45/30/646074530.db2.gz KBJMSVLWBKKWOG-GFCCVEGCSA-N 2 1 249.402 2.531 20 30 BFEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924617118 646078337 /nfs/dbraw/zinc/07/83/37/646078337.db2.gz IXGMVUQJCPTPOR-CHWSQXEVSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CC[C@H](C)[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925599619 646352413 /nfs/dbraw/zinc/35/24/13/646352413.db2.gz AVYVNNMDMCOANF-OBJOEFQTSA-N 2 1 218.344 2.629 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000925732026 646455725 /nfs/dbraw/zinc/45/57/25/646455725.db2.gz WMQXLTXWWIVZCT-CHWSQXEVSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC[C@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703688530 712083659 /nfs/dbraw/zinc/08/36/59/712083659.db2.gz CQRAHBSAKFYGBA-HNSVSWJLSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000704044799 712099049 /nfs/dbraw/zinc/09/90/49/712099049.db2.gz AAETZQSVXNUKHH-OLZOCXBDSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC[N@H+](C)[C@@H](C)CCC[NH+](CC)CC ZINC001167837176 961213204 /nfs/dbraw/zinc/21/32/04/961213204.db2.gz IZKOSIUJGXLSLT-ZDUSSCGKSA-N 2 1 212.381 2.615 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877801 967214049 /nfs/dbraw/zinc/21/40/49/967214049.db2.gz QHNCJKQHBVLSSQ-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877801 967214062 /nfs/dbraw/zinc/21/40/62/967214062.db2.gz QHNCJKQHBVLSSQ-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP CC(C)[N@@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173325291 975272970 /nfs/dbraw/zinc/27/29/70/975272970.db2.gz GSMCWWWNPMVMRH-UHFFFAOYSA-N 2 1 237.391 2.518 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209345 978996461 /nfs/dbraw/zinc/99/64/61/978996461.db2.gz MVNDKNBEJMWZFX-CABCVRRESA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H]2CCC[NH2+][C@H]2C1 ZINC001235209345 978996466 /nfs/dbraw/zinc/99/64/66/978996466.db2.gz MVNDKNBEJMWZFX-CABCVRRESA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC001235254500 979012100 /nfs/dbraw/zinc/01/21/00/979012100.db2.gz JMEAJTANKTWUGI-HUUCEWRRSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206052977 970804090 /nfs/dbraw/zinc/80/40/90/970804090.db2.gz BLLJIUXBLCVLAN-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900912 971010866 /nfs/dbraw/zinc/01/08/66/971010866.db2.gz RVMDDOZCPJAKDW-ZDUSSCGKSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900912 971010881 /nfs/dbraw/zinc/01/08/81/971010881.db2.gz RVMDDOZCPJAKDW-ZDUSSCGKSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C[C@@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246493234 972353000 /nfs/dbraw/zinc/35/30/00/972353000.db2.gz YXIAOVFWZVQWHN-NWANDNLSSA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385374 972451198 /nfs/dbraw/zinc/45/11/98/972451198.db2.gz LGVUBZATYJGNMA-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001222385374 972451201 /nfs/dbraw/zinc/45/12/01/972451201.db2.gz LGVUBZATYJGNMA-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000309320413 959841740 /nfs/dbraw/zinc/84/17/40/959841740.db2.gz GSUCLERINPOZCP-AWEZNQCLSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222423102 972469755 /nfs/dbraw/zinc/46/97/55/972469755.db2.gz YVPUOESNZINCHI-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCCC[NH2+]2 ZINC001222423102 972469766 /nfs/dbraw/zinc/46/97/66/972469766.db2.gz YVPUOESNZINCHI-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695844110 960512862 /nfs/dbraw/zinc/51/28/62/960512862.db2.gz UJLRGRZYZVGSRX-QWHCGFSZSA-N 2 1 239.407 2.633 20 30 BFEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695844110 960512873 /nfs/dbraw/zinc/51/28/73/960512873.db2.gz UJLRGRZYZVGSRX-QWHCGFSZSA-N 2 1 239.407 2.633 20 30 BFEDMP CCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC000709807669 961620262 /nfs/dbraw/zinc/62/02/62/961620262.db2.gz HXVMHOYIRRMJGT-UHFFFAOYSA-N 2 1 224.392 2.642 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC001205130915 967374091 /nfs/dbraw/zinc/37/40/91/967374091.db2.gz PMUPASKLVMFIBZ-NUEKZKHPSA-N 2 1 248.414 2.816 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC001205177191 967412925 /nfs/dbraw/zinc/41/29/25/967412925.db2.gz BUKZPLIINMFQHB-ZIAGYGMSSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCC[N@H+](C)CC(C)(C)C[NH+](C)C ZINC001207288285 968719794 /nfs/dbraw/zinc/71/97/94/968719794.db2.gz MWXVOXNYDKPWRT-UHFFFAOYSA-N 2 1 226.408 2.862 20 30 BFEDMP C=CCCCC[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001209202318 969390273 /nfs/dbraw/zinc/39/02/73/969390273.db2.gz AUHGZOVQAWCFKE-UHFFFAOYSA-N 2 1 248.414 2.760 20 30 BFEDMP C=CCCCC[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001209202318 969390276 /nfs/dbraw/zinc/39/02/76/969390276.db2.gz AUHGZOVQAWCFKE-UHFFFAOYSA-N 2 1 248.414 2.760 20 30 BFEDMP C=C[C@@H]([NH2+][C@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254513288 969680744 /nfs/dbraw/zinc/68/07/44/969680744.db2.gz CDLHOYHFPDKCME-JKSUJKDBSA-N 2 1 244.382 2.988 20 30 BFEDMP C=C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254513288 969680753 /nfs/dbraw/zinc/68/07/53/969680753.db2.gz CDLHOYHFPDKCME-JKSUJKDBSA-N 2 1 244.382 2.988 20 30 BFEDMP CC[C@@H](CC#N)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001255152786 969956666 /nfs/dbraw/zinc/95/66/66/969956666.db2.gz BRWPODUEIPNDMC-HNNXBMFYSA-N 2 1 245.370 2.530 20 30 BFEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574691 972871932 /nfs/dbraw/zinc/87/19/32/972871932.db2.gz IQKFCLACVXGDDS-ZIAGYGMSSA-N 2 1 237.391 2.520 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838371 973142148 /nfs/dbraw/zinc/14/21/48/973142148.db2.gz BPPRAWPBKZLUCV-ZBFHGGJFSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246838371 973142161 /nfs/dbraw/zinc/14/21/61/973142161.db2.gz BPPRAWPBKZLUCV-ZBFHGGJFSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CCCC[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104337 974365930 /nfs/dbraw/zinc/36/59/30/974365930.db2.gz BPFHIGZQXAGEHJ-BTTYYORXSA-N 2 1 222.376 2.558 20 30 BFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119228 974386504 /nfs/dbraw/zinc/38/65/04/974386504.db2.gz WKIAHKCSHHUYMO-QDMKHBRRSA-N 2 1 248.414 2.641 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172487912 974833987 /nfs/dbraw/zinc/83/39/87/974833987.db2.gz JRXIBADZROILOC-TUVASFSCSA-N 2 1 249.402 2.674 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172487912 974833993 /nfs/dbraw/zinc/83/39/93/974833993.db2.gz JRXIBADZROILOC-TUVASFSCSA-N 2 1 249.402 2.674 20 30 BFEDMP CC1([NH+]2CCCC2)CCC(=[NH+]n2cccn2)CC1 ZINC001331976585 974899574 /nfs/dbraw/zinc/89/95/74/974899574.db2.gz OGHFNWDQNHZQOP-UHFFFAOYSA-N 2 1 246.358 2.516 20 30 BFEDMP CCC[N@@H+](CCC[NH3+])C1CCC(CC#N)CC1 ZINC001173325098 975273557 /nfs/dbraw/zinc/27/35/57/975273557.db2.gz CPHKOWZEWROJRX-UHFFFAOYSA-N 2 1 237.391 2.520 20 30 BFEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330202 975279065 /nfs/dbraw/zinc/27/90/65/975279065.db2.gz YICPUCFHBQNCOA-NRXISQOPSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)C[N@H+](CC)Cc1cc2c[nH+]ccc2[nH]1 ZINC001232015458 977845033 /nfs/dbraw/zinc/84/50/33/977845033.db2.gz JHRLKZPZGSLFEP-UHFFFAOYSA-N 2 1 229.327 2.961 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@H](C2C[NH2+]C2)C1 ZINC001235337285 979027061 /nfs/dbraw/zinc/02/70/61/979027061.db2.gz IKBZRYRIBSIDJM-CQSZACIVSA-N 2 1 238.419 2.888 20 30 BFEDMP C=CC[NH+](CC=C)CCC[NH2+]C1CCCCC1 ZINC001235841175 979170287 /nfs/dbraw/zinc/17/02/87/979170287.db2.gz YBYNXYJVGOERFZ-UHFFFAOYSA-N 2 1 236.403 2.973 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058690 979347946 /nfs/dbraw/zinc/34/79/46/979347946.db2.gz AHSGTPSNLMWKNN-GJZGRUSLSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236058690 979347956 /nfs/dbraw/zinc/34/79/56/979347956.db2.gz AHSGTPSNLMWKNN-GJZGRUSLSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCC[N@H+](C)CC[C@H]1CCCC[NH2+]1 ZINC001236085573 979372671 /nfs/dbraw/zinc/37/26/71/979372671.db2.gz SGFIKLUGJUQCMJ-CQSZACIVSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236314463 979524073 /nfs/dbraw/zinc/52/40/73/979524073.db2.gz NKRNFSDARUENRI-GASCZTMLSA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCCCC[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236411725 979585739 /nfs/dbraw/zinc/58/57/39/979585739.db2.gz OSVGJMZRDYDFHS-FICVDOATSA-N 2 1 238.419 2.887 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001205602752 981169288 /nfs/dbraw/zinc/16/92/88/981169288.db2.gz MESLOUNBGLMCGY-KBPBESRZSA-N 2 1 224.392 2.650 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001205862860 982921380 /nfs/dbraw/zinc/92/13/80/982921380.db2.gz AWOLTJDORLBSDJ-BMFZPTHFSA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC001205862860 982921405 /nfs/dbraw/zinc/92/14/05/982921405.db2.gz AWOLTJDORLBSDJ-BMFZPTHFSA-N 2 1 248.414 2.958 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001205985075 984299717 /nfs/dbraw/zinc/29/97/17/984299717.db2.gz VQMAQSPKKOMDKZ-KBPBESRZSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CCCCC[NH+]1CCC2(CC[N@H+](C)C2)CC1 ZINC001274974639 984432257 /nfs/dbraw/zinc/43/22/57/984432257.db2.gz OBOYIQURKOWKAJ-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP CCCCCCC[N@@H+](C)CC(C)(C)[NH3+] ZINC000691984226 985089743 /nfs/dbraw/zinc/08/97/43/985089743.db2.gz CENKRAZKEKWFBC-UHFFFAOYSA-N 2 1 200.370 2.626 20 30 BFEDMP C#CC[N@H+](CCC[NH+]1CCCCC1)C(C)(C)C ZINC001460809476 985900976 /nfs/dbraw/zinc/90/09/76/985900976.db2.gz ZEITUNKPBZAICI-UHFFFAOYSA-N 2 1 236.403 2.596 20 30 BFEDMP C=CC[C@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001462460325 986398351 /nfs/dbraw/zinc/39/83/51/986398351.db2.gz KQFMGDDHGGYWAB-AWEZNQCLSA-N 2 1 236.403 2.616 20 30 BFEDMP N#C[C@H]1CC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638174 986685872 /nfs/dbraw/zinc/68/58/72/986685872.db2.gz XKAUWYZEJJWMLW-ZFWWWQNUSA-N 2 1 249.402 2.662 20 30 BFEDMP CC[C@@H](CC#N)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001255152757 986822338 /nfs/dbraw/zinc/82/23/38/986822338.db2.gz ACEXONMXHDOOBA-ZDUSSCGKSA-N 2 1 237.391 2.662 20 30 BFEDMP CC[C@@H](CC#N)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255152757 986822342 /nfs/dbraw/zinc/82/23/42/986822342.db2.gz ACEXONMXHDOOBA-ZDUSSCGKSA-N 2 1 237.391 2.662 20 30 BFEDMP CC[C@H](CC#N)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001255153214 986827179 /nfs/dbraw/zinc/82/71/79/986827179.db2.gz RHUBOUBVCODGGU-OAHLLOKOSA-N 2 1 245.370 2.530 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC001246213113 987611249 /nfs/dbraw/zinc/61/12/49/987611249.db2.gz YRKRAGICFQDKIP-LBPRGKRZSA-N 2 1 212.381 2.816 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001246448585 987805386 /nfs/dbraw/zinc/80/53/86/987805386.db2.gz TXFWGZNWOQMBAG-LBPRGKRZSA-N 2 1 212.381 2.816 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001246540043 987905906 /nfs/dbraw/zinc/90/59/06/987905906.db2.gz FBRURWNMQSLXMP-IUOOZAAYSA-N 2 1 248.414 2.935 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551127 987943196 /nfs/dbraw/zinc/94/31/96/987943196.db2.gz KUMZLKZYBLJHIU-QWHCGFSZSA-N 2 1 210.365 2.544 20 30 BFEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258728900 991671257 /nfs/dbraw/zinc/67/12/57/991671257.db2.gz RHRGWXCPYFBFHK-CQSZACIVSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CCC[C@@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258728900 991671261 /nfs/dbraw/zinc/67/12/61/991671261.db2.gz RHRGWXCPYFBFHK-CQSZACIVSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258734983 991684761 /nfs/dbraw/zinc/68/47/61/991684761.db2.gz LVXNPHJOHRAVRT-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[C@@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258734983 991684765 /nfs/dbraw/zinc/68/47/65/991684765.db2.gz LVXNPHJOHRAVRT-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268881442 398142197 /nfs/dbraw/zinc/14/21/97/398142197.db2.gz RUKZNPBNDAOQFI-QWHCGFSZSA-N 2 1 235.375 2.772 20 30 BFEDMP CC[C@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCC1 ZINC000602508629 349584173 /nfs/dbraw/zinc/58/41/73/349584173.db2.gz OJXWCIUJIVYZCQ-YMAMQOFZSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602674543 349668574 /nfs/dbraw/zinc/66/85/74/349668574.db2.gz DWNFDEPSVAOZMV-UONOGXRCSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602674543 349668577 /nfs/dbraw/zinc/66/85/77/349668577.db2.gz DWNFDEPSVAOZMV-UONOGXRCSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000161781139 133515924 /nfs/dbraw/zinc/51/59/24/133515924.db2.gz WZMCLEXMKGCFJW-UHFFFAOYSA-N 2 1 247.386 2.870 20 30 BFEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358503693 344565902 /nfs/dbraw/zinc/56/59/02/344565902.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358503693 344565903 /nfs/dbraw/zinc/56/59/03/344565903.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358503693 344565904 /nfs/dbraw/zinc/56/59/04/344565904.db2.gz DNYHWICIOUMSPE-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000635017487 345221566 /nfs/dbraw/zinc/22/15/66/345221566.db2.gz DMSADZJLNULGPG-OLZOCXBDSA-N 2 1 224.392 2.566 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000635017486 345221739 /nfs/dbraw/zinc/22/17/39/345221739.db2.gz DMSADZJLNULGPG-CHWSQXEVSA-N 2 1 224.392 2.566 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310517453 347291403 /nfs/dbraw/zinc/29/14/03/347291403.db2.gz VSZSOJYZPQIGBT-QWHCGFSZSA-N 2 1 224.392 2.661 20 30 BFEDMP N#CC1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCCCC1 ZINC000596651771 348605962 /nfs/dbraw/zinc/60/59/62/348605962.db2.gz NLANVGRXGBTESF-KBPBESRZSA-N 2 1 249.402 2.568 20 30 BFEDMP C=CC[C@@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513133 362939773 /nfs/dbraw/zinc/93/97/73/362939773.db2.gz JSUDYWVPZMWTHI-OLZOCXBDSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[N@@H+]1C[C@@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337085316 350554893 /nfs/dbraw/zinc/55/48/93/350554893.db2.gz ZHPMSEZZRKLDIV-HZPDHXFCSA-N 2 1 244.382 2.627 20 30 BFEDMP C=CC(C)(C)CC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000623593035 363029453 /nfs/dbraw/zinc/02/94/53/363029453.db2.gz QCGRMUXPVHOEDY-UHFFFAOYSA-N 2 1 247.386 2.840 20 30 BFEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000252715486 353303001 /nfs/dbraw/zinc/30/30/01/353303001.db2.gz VTXXMLMFTNOLTM-GDBMZVCRSA-N 2 1 244.382 2.630 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000230658227 363317576 /nfs/dbraw/zinc/31/75/76/363317576.db2.gz JGDAMTPRBGCAHI-CYBMUJFWSA-N 2 1 212.381 2.661 20 30 BFEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000351891956 356158072 /nfs/dbraw/zinc/15/80/72/356158072.db2.gz RURZWSNYTQFUNH-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCC[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352488196 134146802 /nfs/dbraw/zinc/14/68/02/134146802.db2.gz NHOVZMPTHPAZMG-UHFFFAOYSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CC[NH+](CCC[N@@H+](CC=C)C1CC1)C1CC1 ZINC000357557989 134183850 /nfs/dbraw/zinc/18/38/50/134183850.db2.gz ZHWFGQWBVJFCHY-UHFFFAOYSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CC[NH+](CCC[N@H+](CC=C)C1CC1)C1CC1 ZINC000357557989 134183851 /nfs/dbraw/zinc/18/38/51/134183851.db2.gz ZHWFGQWBVJFCHY-UHFFFAOYSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CCCCC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000582706974 357374906 /nfs/dbraw/zinc/37/49/06/357374906.db2.gz XMZMLYBLHNAARK-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639988336 358027934 /nfs/dbraw/zinc/02/79/34/358027934.db2.gz PMQSGFALXSMSGW-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126765870 358554530 /nfs/dbraw/zinc/55/45/30/358554530.db2.gz CJOUAFWDJLAVJZ-MELADBBJSA-N 2 1 222.376 2.558 20 30 BFEDMP CC#CCN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000247014792 359184693 /nfs/dbraw/zinc/18/46/93/359184693.db2.gz UHQKCIHFOVRPRX-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075861299 359229956 /nfs/dbraw/zinc/22/99/56/359229956.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075861299 359229961 /nfs/dbraw/zinc/22/99/61/359229961.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075861299 359229968 /nfs/dbraw/zinc/22/99/68/359229968.db2.gz VNBKOYWVYGPMNM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396516 361042885 /nfs/dbraw/zinc/04/28/85/361042885.db2.gz LYDNWSXQKZXSKM-RDBSUJKOSA-N 2 1 224.392 2.851 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727045 203341088 /nfs/dbraw/zinc/34/10/88/203341088.db2.gz HBMMQCUBPSFTCG-RRFJBIMHSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120986 371322058 /nfs/dbraw/zinc/32/20/58/371322058.db2.gz LHCSIISYCBCXGD-KKUMJFAQSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132003247 383974494 /nfs/dbraw/zinc/97/44/94/383974494.db2.gz HLEUIXZPVIIWRY-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423286634 384531632 /nfs/dbraw/zinc/53/16/32/384531632.db2.gz HXANFWHTYFFVSH-LBPRGKRZSA-N 2 1 245.370 2.726 20 30 BFEDMP CCC[N@H+](CC)CC[NH2+]CC(C)(C)CCC#N ZINC000177580217 385059724 /nfs/dbraw/zinc/05/97/24/385059724.db2.gz CLDGQBQZTVQIMY-UHFFFAOYSA-N 2 1 239.407 2.638 20 30 BFEDMP CCC[N@@H+](CC)CC[NH2+]CC(C)(C)CCC#N ZINC000177580217 385059733 /nfs/dbraw/zinc/05/97/33/385059733.db2.gz CLDGQBQZTVQIMY-UHFFFAOYSA-N 2 1 239.407 2.638 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000423401334 387237992 /nfs/dbraw/zinc/23/79/92/387237992.db2.gz QUSXBXCITZBRCP-RDBSUJKOSA-N 2 1 248.370 2.875 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423530083 387359169 /nfs/dbraw/zinc/35/91/69/387359169.db2.gz PFOGBLYSWRPVRZ-OUCADQQQSA-N 2 1 224.392 2.694 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268881445 387417295 /nfs/dbraw/zinc/41/72/95/387417295.db2.gz RUKZNPBNDAOQFI-STQMWFEESA-N 2 1 235.375 2.772 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000527927055 387793761 /nfs/dbraw/zinc/79/37/61/387793761.db2.gz QYVMUGHDMGGTQL-CHWSQXEVSA-N 2 1 224.392 2.519 20 30 BFEDMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[C@@H](C#N)C1 ZINC000442781915 387838402 /nfs/dbraw/zinc/83/84/02/387838402.db2.gz OXTUWYGOVJIDDR-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423140461 387917708 /nfs/dbraw/zinc/91/77/08/387917708.db2.gz YNHWDWQSYBUFEV-LLVKDONJSA-N 2 1 233.359 2.747 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccco1 ZINC000423277341 388058649 /nfs/dbraw/zinc/05/86/49/388058649.db2.gz PXCNQXMAWBWTFI-STQMWFEESA-N 2 1 236.359 2.732 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000447510072 388074277 /nfs/dbraw/zinc/07/42/77/388074277.db2.gz OLAPCAIQOLHLJG-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275655133 388344799 /nfs/dbraw/zinc/34/47/99/388344799.db2.gz FDTDOEVKIQJISQ-ZBFHGGJFSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275655133 388344800 /nfs/dbraw/zinc/34/48/00/388344800.db2.gz FDTDOEVKIQJISQ-ZBFHGGJFSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000649287305 388543114 /nfs/dbraw/zinc/54/31/14/388543114.db2.gz FPHJKNRRKKYLBU-CQSZACIVSA-N 2 1 233.359 2.876 20 30 BFEDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423298929 388691127 /nfs/dbraw/zinc/69/11/27/388691127.db2.gz PHSJBWHEQJHMAO-DOMZBBRYSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000565580170 388955591 /nfs/dbraw/zinc/95/55/91/388955591.db2.gz SUOIRMSURIHNPL-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000565580170 388955596 /nfs/dbraw/zinc/95/55/96/388955596.db2.gz SUOIRMSURIHNPL-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000565580170 388955593 /nfs/dbraw/zinc/95/55/93/388955593.db2.gz SUOIRMSURIHNPL-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000565580170 388955598 /nfs/dbraw/zinc/95/55/98/388955598.db2.gz SUOIRMSURIHNPL-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000352001427 134033773 /nfs/dbraw/zinc/03/37/73/134033773.db2.gz BJRYPDZEMNPENR-UHFFFAOYSA-N 2 1 247.386 2.641 20 30 BFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000336222307 134139739 /nfs/dbraw/zinc/13/97/39/134139739.db2.gz USSWFSUULBSLKW-FGZQJIAISA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000336222307 134139740 /nfs/dbraw/zinc/13/97/40/134139740.db2.gz USSWFSUULBSLKW-FGZQJIAISA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178958612 134313525 /nfs/dbraw/zinc/31/35/25/134313525.db2.gz MREHGPUSSQPBFI-UHFFFAOYSA-N 2 1 244.382 2.674 20 30 BFEDMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248763163 135021621 /nfs/dbraw/zinc/02/16/21/135021621.db2.gz GSRBYFMBYQNLIV-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338568846 135040667 /nfs/dbraw/zinc/04/06/67/135040667.db2.gz AEPYZDMXPGYUML-KBPBESRZSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338568848 135041344 /nfs/dbraw/zinc/04/13/44/135041344.db2.gz AEPYZDMXPGYUML-UONOGXRCSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000122361028 135227052 /nfs/dbraw/zinc/22/70/52/135227052.db2.gz PFLOWPHEPCYSHX-OAHLLOKOSA-N 2 1 248.414 2.973 20 30 BFEDMP CC[NH+](CC)Cc1cccc(C[NH2+]CCC#N)c1 ZINC000565535752 398042342 /nfs/dbraw/zinc/04/23/42/398042342.db2.gz ZZHOGFAUCRYCGD-UHFFFAOYSA-N 2 1 245.370 2.532 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275399679 166295211 /nfs/dbraw/zinc/29/52/11/166295211.db2.gz CJQYZRWBHVPLLD-UONOGXRCSA-N 2 1 247.386 2.780 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271829974 166301532 /nfs/dbraw/zinc/30/15/32/166301532.db2.gz DVLDJPBGJKZXSM-HNNXBMFYSA-N 2 1 236.403 2.973 20 30 BFEDMP C=CCC[C@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271807996 166301660 /nfs/dbraw/zinc/30/16/60/166301660.db2.gz AFPPZIJHVWVIJD-AWEZNQCLSA-N 2 1 222.376 2.583 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000651682858 411135420 /nfs/dbraw/zinc/13/54/20/411135420.db2.gz KICMQXXQJCZNGA-YUELXQCFSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000651725677 411138960 /nfs/dbraw/zinc/13/89/60/411138960.db2.gz MBXIAOKBOMCQOB-XGUBFFRZSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000651725677 411138961 /nfs/dbraw/zinc/13/89/61/411138961.db2.gz MBXIAOKBOMCQOB-XGUBFFRZSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000657863124 411613046 /nfs/dbraw/zinc/61/30/46/411613046.db2.gz IQAXRSUBSMIZFK-LSDHHAIUSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295558 412084958 /nfs/dbraw/zinc/08/49/58/412084958.db2.gz GSJZAWNYGGNKOS-OAHLLOKOSA-N 2 1 236.403 2.664 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000569379826 322965016 /nfs/dbraw/zinc/96/50/16/322965016.db2.gz SLVUXUJQMDRVFP-OAHLLOKOSA-N 2 1 248.414 2.949 20 30 BFEDMP C=CCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000570132597 323050681 /nfs/dbraw/zinc/05/06/81/323050681.db2.gz LZEYFVHFGNNPNA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000570132597 323050682 /nfs/dbraw/zinc/05/06/82/323050682.db2.gz LZEYFVHFGNNPNA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000570132597 323050683 /nfs/dbraw/zinc/05/06/83/323050683.db2.gz LZEYFVHFGNNPNA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109798 487958496 /nfs/dbraw/zinc/95/84/96/487958496.db2.gz KTUJCJGQPHNASZ-MRXNPFEDSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109798 487958500 /nfs/dbraw/zinc/95/85/00/487958500.db2.gz KTUJCJGQPHNASZ-MRXNPFEDSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109798 487958504 /nfs/dbraw/zinc/95/85/04/487958504.db2.gz KTUJCJGQPHNASZ-MRXNPFEDSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000131976119 325193224 /nfs/dbraw/zinc/19/32/24/325193224.db2.gz CXPMFIJUJOEGIW-KBPBESRZSA-N 2 1 224.392 2.661 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000358513768 534396895 /nfs/dbraw/zinc/39/68/95/534396895.db2.gz VFUKRTQFMALORF-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000174226425 534719601 /nfs/dbraw/zinc/71/96/01/534719601.db2.gz VDUHDARYVVEJEM-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366620008 534720996 /nfs/dbraw/zinc/72/09/96/534720996.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620008 534721000 /nfs/dbraw/zinc/72/10/00/534721000.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366620008 534721006 /nfs/dbraw/zinc/72/10/06/534721006.db2.gz LFPPMTQYCFYDMN-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895339286 583653031 /nfs/dbraw/zinc/65/30/31/583653031.db2.gz ZRWIFFCZXSDSHM-AWEZNQCLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@H+](C)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903440107 584763418 /nfs/dbraw/zinc/76/34/18/584763418.db2.gz SUUPERLFJMHDOC-KGLIPLIRSA-N 2 1 224.392 2.792 20 30 BFEDMP N#CC1CCC(C[N@@H+]2CCCC[C@@H]2CC[NH3+])CC1 ZINC000903451825 584771848 /nfs/dbraw/zinc/77/18/48/584771848.db2.gz DYDBUKAVFKVESF-YMAMQOFZSA-N 2 1 249.402 2.520 20 30 BFEDMP C[N@@H+](CCCCC1(C#N)CCC1)C1CC[NH2+]CC1 ZINC000903713628 584793494 /nfs/dbraw/zinc/79/34/94/584793494.db2.gz XXPZZHDZYMNMJS-UHFFFAOYSA-N 2 1 249.402 2.534 20 30 BFEDMP C#CC[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000767351302 585517507 /nfs/dbraw/zinc/51/75/07/585517507.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000767351302 585517508 /nfs/dbraw/zinc/51/75/08/585517508.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@H+](CC[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000767351302 585517509 /nfs/dbraw/zinc/51/75/09/585517509.db2.gz ZXXOZLCLAHGSRL-OAHLLOKOSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000850472400 588549304 /nfs/dbraw/zinc/54/93/04/588549304.db2.gz YWZVXVUGNMYHIR-JKSUJKDBSA-N 2 1 248.414 2.666 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@@H]1CC=C ZINC000850472400 588549305 /nfs/dbraw/zinc/54/93/05/588549305.db2.gz YWZVXVUGNMYHIR-JKSUJKDBSA-N 2 1 248.414 2.666 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156015 589886218 /nfs/dbraw/zinc/88/62/18/589886218.db2.gz COOBNIORMUTIRP-UKRRQHHQSA-N 2 1 236.403 2.792 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877070152 590277099 /nfs/dbraw/zinc/27/70/99/590277099.db2.gz LMSVBFCKOYDVMW-HUUCEWRRSA-N 2 1 236.403 2.642 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000878159511 590510054 /nfs/dbraw/zinc/51/00/54/590510054.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000878159511 590510056 /nfs/dbraw/zinc/51/00/56/590510056.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000878159511 590510057 /nfs/dbraw/zinc/51/00/57/590510057.db2.gz MWYJEMIGGLZOGJ-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000878159513 590510168 /nfs/dbraw/zinc/51/01/68/590510168.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000878159513 590510170 /nfs/dbraw/zinc/51/01/70/590510170.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000878159513 590510171 /nfs/dbraw/zinc/51/01/71/590510171.db2.gz MWYJEMIGGLZOGJ-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286236 590533762 /nfs/dbraw/zinc/53/37/62/590533762.db2.gz LVNBDJHCRCELSC-DZKIICNBSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286236 590533764 /nfs/dbraw/zinc/53/37/64/590533764.db2.gz LVNBDJHCRCELSC-DZKIICNBSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286236 590533767 /nfs/dbraw/zinc/53/37/67/590533767.db2.gz LVNBDJHCRCELSC-DZKIICNBSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286236 590533772 /nfs/dbraw/zinc/53/37/72/590533772.db2.gz LVNBDJHCRCELSC-DZKIICNBSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580460 590822029 /nfs/dbraw/zinc/82/20/29/590822029.db2.gz HXVYRTHFZVSQSN-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580460 590822033 /nfs/dbraw/zinc/82/20/33/590822033.db2.gz HXVYRTHFZVSQSN-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580460 590822036 /nfs/dbraw/zinc/82/20/36/590822036.db2.gz HXVYRTHFZVSQSN-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879580460 590822040 /nfs/dbraw/zinc/82/20/40/590822040.db2.gz HXVYRTHFZVSQSN-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259049 590979346 /nfs/dbraw/zinc/97/93/46/590979346.db2.gz LHWLOONZIZRNOS-KGLIPLIRSA-N 2 1 245.370 2.557 20 30 BFEDMP C=CC[N@H+](CCCCCCC[NH3+])C1CC1 ZINC000131650653 591635900 /nfs/dbraw/zinc/63/59/00/591635900.db2.gz GVXPTCYKBBXMKG-UHFFFAOYSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429435 591660108 /nfs/dbraw/zinc/66/01/08/591660108.db2.gz VWMPRSDTIGLGLK-KKUMJFAQSA-N 2 1 236.403 2.663 20 30 BFEDMP Cc1[nH]c(C2CC[NH+](CCCC#N)CC2)[nH+]c1C ZINC000886659483 592293803 /nfs/dbraw/zinc/29/38/03/592293803.db2.gz NMKHMDCBALOQIK-UHFFFAOYSA-N 2 1 246.358 2.510 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925683624 634288031 /nfs/dbraw/zinc/28/80/31/634288031.db2.gz TZIUEEVQAQZLGB-OCCSQVGLSA-N 2 1 232.371 2.877 20 30 BFEDMP C=C(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903180074 637349479 /nfs/dbraw/zinc/34/94/79/637349479.db2.gz WYJHJOCUSCJPLG-LQDVMPOASA-N 2 1 234.387 2.700 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CC[C@H](CC[NH3+])C2)CCC1 ZINC000903788772 637382011 /nfs/dbraw/zinc/38/20/11/637382011.db2.gz QDBDAHWTOOKFND-AWEZNQCLSA-N 2 1 249.402 2.521 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000904472005 637424772 /nfs/dbraw/zinc/42/47/72/637424772.db2.gz KQRRHBCTNZFPQA-ZIAGYGMSSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCCCC[NH+]1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931315114 640153535 /nfs/dbraw/zinc/15/35/35/640153535.db2.gz UUJRDMJXKQNWHK-HUUCEWRRSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000934469790 641165087 /nfs/dbraw/zinc/16/50/87/641165087.db2.gz GQSROVFAJRABKW-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000934469790 641165093 /nfs/dbraw/zinc/16/50/93/641165093.db2.gz GQSROVFAJRABKW-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000934469790 641165100 /nfs/dbraw/zinc/16/51/00/641165100.db2.gz GQSROVFAJRABKW-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H](C[NH3+])C1 ZINC000088236275 644514837 /nfs/dbraw/zinc/51/48/37/644514837.db2.gz LNWZXECMRWIHGV-CYBMUJFWSA-N 2 1 212.381 2.628 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000088236276 644515114 /nfs/dbraw/zinc/51/51/14/644515114.db2.gz LNWZXECMRWIHGV-ZDUSSCGKSA-N 2 1 212.381 2.628 20 30 BFEDMP CCCCCCC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000393759933 710672830 /nfs/dbraw/zinc/67/28/30/710672830.db2.gz VMTKIAIAFNNXFR-ZDUSSCGKSA-N 2 1 212.381 2.674 20 30 BFEDMP C=CC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903119823 710893935 /nfs/dbraw/zinc/89/39/35/710893935.db2.gz KBXGKVHTQMWCPC-YPRXJGMQSA-N 2 1 234.387 2.698 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)c1ccccc1 ZINC000385711636 711017349 /nfs/dbraw/zinc/01/73/49/711017349.db2.gz HMKDJIISGUJJNQ-MRXNPFEDSA-N 2 1 244.382 2.682 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)c1ccccc1 ZINC000385711636 711017351 /nfs/dbraw/zinc/01/73/51/711017351.db2.gz HMKDJIISGUJJNQ-MRXNPFEDSA-N 2 1 244.382 2.682 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000390150452 711107242 /nfs/dbraw/zinc/10/72/42/711107242.db2.gz TYPHTABDUWBQCZ-KBPBESRZSA-N 2 1 224.392 2.641 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCCCCCC1 ZINC000393962384 711180473 /nfs/dbraw/zinc/18/04/73/711180473.db2.gz VIXOTKHBZJDCGN-UHFFFAOYSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCCCCCC1 ZINC000393962384 711180476 /nfs/dbraw/zinc/18/04/76/711180476.db2.gz VIXOTKHBZJDCGN-UHFFFAOYSA-N 2 1 236.403 2.644 20 30 BFEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000724570709 710742185 /nfs/dbraw/zinc/74/21/85/710742185.db2.gz GRGJDDMLSDWFRB-CVEARBPZSA-N 2 1 248.414 2.949 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901532 712876014 /nfs/dbraw/zinc/87/60/14/712876014.db2.gz CFSYHDUMNOPROR-KBPBESRZSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000720901532 712876015 /nfs/dbraw/zinc/87/60/15/712876015.db2.gz CFSYHDUMNOPROR-KBPBESRZSA-N 2 1 224.392 2.783 20 30 BFEDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695843262 960506908 /nfs/dbraw/zinc/50/69/08/960506908.db2.gz PAUWNJDMCFSWAJ-QWHCGFSZSA-N 2 1 239.407 2.635 20 30 BFEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695843262 960506929 /nfs/dbraw/zinc/50/69/29/960506929.db2.gz PAUWNJDMCFSWAJ-QWHCGFSZSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242648 966316822 /nfs/dbraw/zinc/31/68/22/966316822.db2.gz DPSFFBMVPYTWKZ-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCC[N@H+](C)[C@@H]1CCC[NH+](C)CC1 ZINC001254530369 969724481 /nfs/dbraw/zinc/72/44/81/969724481.db2.gz WROMIBUSEAGGIM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CCC[N@H+](C)CC1 ZINC001254530369 969724487 /nfs/dbraw/zinc/72/44/87/969724487.db2.gz WROMIBUSEAGGIM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CCC[N@@H+](C)CC1 ZINC001254530369 969724492 /nfs/dbraw/zinc/72/44/92/969724492.db2.gz WROMIBUSEAGGIM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@H](C)COC ZINC001255560851 970345057 /nfs/dbraw/zinc/34/50/57/970345057.db2.gz JZWMZDINVVRRII-CQSZACIVSA-N 2 1 244.423 2.643 20 30 BFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@H](C)COC ZINC001255560851 970345068 /nfs/dbraw/zinc/34/50/68/970345068.db2.gz JZWMZDINVVRRII-CQSZACIVSA-N 2 1 244.423 2.643 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@@H]1C ZINC001236413091 979585546 /nfs/dbraw/zinc/58/55/46/979585546.db2.gz AUZHAQINAKDCRV-UONOGXRCSA-N 2 1 224.392 2.935 20 30 BFEDMP N#CCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900355 971015249 /nfs/dbraw/zinc/01/52/49/971015249.db2.gz MQVXTTJRFFXGNL-AWEZNQCLSA-N 2 1 249.402 2.677 20 30 BFEDMP N#CCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900355 971015262 /nfs/dbraw/zinc/01/52/62/971015262.db2.gz MQVXTTJRFFXGNL-AWEZNQCLSA-N 2 1 249.402 2.677 20 30 BFEDMP C#CC1([NH2+]C2CC[NH+](C(C)C)CC2)CCCCC1 ZINC001257213488 971127319 /nfs/dbraw/zinc/12/73/19/971127319.db2.gz PANTVFNXRUIJNB-UHFFFAOYSA-N 2 1 248.414 2.785 20 30 BFEDMP C=C(C)C[N@@H+](CC)C1CC[NH+](C(C)C)CC1 ZINC001257222037 971133938 /nfs/dbraw/zinc/13/39/38/971133938.db2.gz PUIGIBBREVKWMX-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)C[N@H+](CC)C1CC[NH+](C(C)C)CC1 ZINC001257222037 971133945 /nfs/dbraw/zinc/13/39/45/971133945.db2.gz PUIGIBBREVKWMX-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347111 972440964 /nfs/dbraw/zinc/44/09/64/972440964.db2.gz WJLRTHSLRODOSA-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@]2(CCC[NH2+]2)C1 ZINC001222347111 972440965 /nfs/dbraw/zinc/44/09/65/972440965.db2.gz WJLRTHSLRODOSA-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695844100 960512045 /nfs/dbraw/zinc/51/20/45/960512045.db2.gz UJLRGRZYZVGSRX-CHWSQXEVSA-N 2 1 239.407 2.633 20 30 BFEDMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695844100 960512057 /nfs/dbraw/zinc/51/20/57/960512057.db2.gz UJLRGRZYZVGSRX-CHWSQXEVSA-N 2 1 239.407 2.633 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235258040 966034311 /nfs/dbraw/zinc/03/43/11/966034311.db2.gz KNAFUKQULPNLDY-PMPSAXMXSA-N 2 1 246.398 2.583 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235258040 966034323 /nfs/dbraw/zinc/03/43/23/966034323.db2.gz KNAFUKQULPNLDY-PMPSAXMXSA-N 2 1 246.398 2.583 20 30 BFEDMP C=CCCCCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242648 966316809 /nfs/dbraw/zinc/31/68/09/966316809.db2.gz DPSFFBMVPYTWKZ-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763903 967152048 /nfs/dbraw/zinc/15/20/48/967152048.db2.gz RRXNVIRFNUQLJA-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP CC[C@H](CC#N)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160857 969969120 /nfs/dbraw/zinc/96/91/20/969969120.db2.gz RAFPODVCZBDRKR-RBSFLKMASA-N 2 1 249.402 2.661 20 30 BFEDMP C[C@]1(C[NH3+])CCC[N@H+](C2CCC(C#N)CC2)CC1 ZINC001246577797 972894363 /nfs/dbraw/zinc/89/43/63/972894363.db2.gz PRIKBKNTLZLLPP-NRXISQOPSA-N 2 1 249.402 2.520 20 30 BFEDMP C=CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC001246870080 973254413 /nfs/dbraw/zinc/25/44/13/973254413.db2.gz KEVRDWFQJHMPLM-PBWFPOADSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246948499 973678922 /nfs/dbraw/zinc/67/89/22/973678922.db2.gz KKIPNBNIHMXCCE-ZFWWWQNUSA-N 2 1 236.403 2.948 20 30 BFEDMP CCCC[N@@H+](C)CCC[NH2+][C@@H](C)CCCC#N ZINC001172480374 974779131 /nfs/dbraw/zinc/77/91/31/974779131.db2.gz STLHCSOYLQFOBI-AWEZNQCLSA-N 2 1 239.407 2.780 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172488148 974833536 /nfs/dbraw/zinc/83/35/36/974833536.db2.gz JRXIBADZROILOC-APIJFGDWSA-N 2 1 249.402 2.674 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172488148 974833539 /nfs/dbraw/zinc/83/35/39/974833539.db2.gz JRXIBADZROILOC-APIJFGDWSA-N 2 1 249.402 2.674 20 30 BFEDMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(CC#N)CC1 ZINC001173329949 975278966 /nfs/dbraw/zinc/27/89/66/975278966.db2.gz PZYOKPDZJQWZSI-UHFFFAOYSA-N 2 1 249.402 2.661 20 30 BFEDMP C[N@H+]1CCC[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584636 975426712 /nfs/dbraw/zinc/42/67/12/975426712.db2.gz DYPFRJAPNLTUJC-WLYUNCDWSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1CC(C)C[N@H+]1CC[C@H]1CC=C ZINC001333478226 975804720 /nfs/dbraw/zinc/80/47/20/975804720.db2.gz FYOSGBCZWWRDBJ-HZPDHXFCSA-N 2 1 248.414 2.923 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC001235186235 978992475 /nfs/dbraw/zinc/99/24/75/978992475.db2.gz FSWDIKWQRJMIJF-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC001235254506 979010221 /nfs/dbraw/zinc/01/02/21/979010221.db2.gz JMEAJTANKTWUGI-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283980 979016356 /nfs/dbraw/zinc/01/63/56/979016356.db2.gz RXRRSBNQWOEYIL-IFRLPRAHSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CCCC[NH+]1CCC[C@]2(CCC[N@H+](C)C2)C1 ZINC001274962833 984415713 /nfs/dbraw/zinc/41/57/13/984415713.db2.gz VWTNLLLKVILGSA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274962833 984415737 /nfs/dbraw/zinc/41/57/37/984415737.db2.gz VWTNLLLKVILGSA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@@H+]1CCC[C@]2(CCC[NH+](C)C2)C1 ZINC001274962833 984415749 /nfs/dbraw/zinc/41/57/49/984415749.db2.gz VWTNLLLKVILGSA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459508340 985528386 /nfs/dbraw/zinc/52/83/86/985528386.db2.gz NEKHGPHKEKKVBP-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP CCC#C[C@@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459508340 985528410 /nfs/dbraw/zinc/52/84/10/985528410.db2.gz NEKHGPHKEKKVBP-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258721478 986055002 /nfs/dbraw/zinc/05/50/02/986055002.db2.gz WNOAOJORKINROC-ZQDZILKHSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258721478 986055021 /nfs/dbraw/zinc/05/50/21/986055021.db2.gz WNOAOJORKINROC-ZQDZILKHSA-N 2 1 236.403 2.946 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+]C[C@@H]3CCCC[NH2+]3)C[C@H](C1)C2 ZINC001246169471 987534975 /nfs/dbraw/zinc/53/49/75/987534975.db2.gz OBTKTYFIVUKDEV-QGPPMGRFSA-N 2 1 248.414 2.853 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@H]1CC[NH+]1CCC(C)CC1 ZINC001473716907 987536104 /nfs/dbraw/zinc/53/61/04/987536104.db2.gz NFVIUSZUOJMHMC-INIZCTEOSA-N 2 1 248.414 2.596 20 30 BFEDMP CCCCCCC[C@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246237124 987635087 /nfs/dbraw/zinc/63/50/87/987635087.db2.gz AOJXHKRZONRXBO-KGLIPLIRSA-N 2 1 244.423 2.689 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@@H]2C[C@@H]21 ZINC001246506271 987858781 /nfs/dbraw/zinc/85/87/81/987858781.db2.gz ZCPKVPPWSGUQIG-ZQDZILKHSA-N 2 1 238.419 2.933 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@](C)([NH3+])C3)C[C@H](C1)C2 ZINC001246533031 987890984 /nfs/dbraw/zinc/89/09/84/987890984.db2.gz ZHEBICWCIPRCFZ-IXXDHKBRSA-N 2 1 234.387 2.544 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CCC[C@H]([NH3+])CC3)C[C@H](C1)C2 ZINC001246540045 987902253 /nfs/dbraw/zinc/90/22/53/987902253.db2.gz FBRURWNMQSLXMP-QGPPMGRFSA-N 2 1 248.414 2.935 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246573122 988066833 /nfs/dbraw/zinc/06/68/33/988066833.db2.gz GGCIOMKCQLSECG-KGLIPLIRSA-N 2 1 224.392 2.792 20 30 BFEDMP N#CCC1CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246580185 988111336 /nfs/dbraw/zinc/11/13/36/988111336.db2.gz FNCNNDRXVIBPKJ-SLTAFYQDSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@@]1(C[NH3+])CCCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001246586297 988142579 /nfs/dbraw/zinc/14/25/79/988142579.db2.gz SWUHGEVKUNILAP-NRXISQOPSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246594337 988183083 /nfs/dbraw/zinc/18/30/83/988183083.db2.gz PZPVMWLADPAYHG-ZIAGYGMSSA-N 2 1 237.391 2.520 20 30 BFEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659760 988392852 /nfs/dbraw/zinc/39/28/52/988392852.db2.gz GNCXLGJNFYVVLU-YIYPIFLZSA-N 2 1 224.392 2.624 20 30 BFEDMP C=CC[NH+](CC=C)C1C[C@@H](CC)[NH2+][C@H](CC)C1 ZINC001246813678 988496335 /nfs/dbraw/zinc/49/63/35/988496335.db2.gz LLBKJYCLVKZHMJ-ZIAGYGMSSA-N 2 1 236.403 2.970 20 30 BFEDMP C=CC[NH+](CC=C)[C@@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246813677 988497948 /nfs/dbraw/zinc/49/79/48/988497948.db2.gz LLBKJYCLVKZHMJ-QDMKHBRRSA-N 2 1 236.403 2.970 20 30 BFEDMP C=CC[N@H+]([C@H](C)CC[NH2+]C)C1CCCCC1 ZINC001246944271 988781194 /nfs/dbraw/zinc/78/11/94/988781194.db2.gz BTSBPZQUMQFYJW-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC001326560425 989607906 /nfs/dbraw/zinc/60/79/06/989607906.db2.gz HFZYQTSWPWYFKF-LJISPDSOSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[NH+](CC=C)C1CC[NH+](CCC)CC1 ZINC001258775244 991741583 /nfs/dbraw/zinc/74/15/83/991741583.db2.gz GPKSGMZUZKFXTF-UHFFFAOYSA-N 2 1 222.376 2.535 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001474756611 992513879 /nfs/dbraw/zinc/51/38/79/992513879.db2.gz JUOJHILAAXINQJ-BYNSBNAKSA-N 2 1 236.403 2.661 20 30 BFEDMP C=C(C)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC001574836500 992923841 /nfs/dbraw/zinc/92/38/41/992923841.db2.gz NSZWNXFMTDFVES-MRXNPFEDSA-N 2 1 244.382 2.674 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)CC1(C[NH3+])CCC1 ZINC001574933572 992946661 /nfs/dbraw/zinc/94/66/61/992946661.db2.gz XDCILFCCYBJKMF-UHFFFAOYSA-N 2 1 244.382 2.804 20 30 BFEDMP CCCCCCCC[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000382756616 993468250 /nfs/dbraw/zinc/46/82/50/993468250.db2.gz QELSGEJGUFFDCG-CQSZACIVSA-N 2 1 226.408 2.888 20 30 BFEDMP CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000383646503 993506816 /nfs/dbraw/zinc/50/68/16/993506816.db2.gz CMSGWAQCBGSBGM-HUUCEWRRSA-N 2 1 238.419 2.888 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344290820 365676747 /nfs/dbraw/zinc/67/67/47/365676747.db2.gz CVQGVIJZTAGCAX-RRFJBIMHSA-N 2 1 236.403 2.948 20 30 BFEDMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602674540 349668437 /nfs/dbraw/zinc/66/84/37/349668437.db2.gz DWNFDEPSVAOZMV-KBPBESRZSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602674540 349668438 /nfs/dbraw/zinc/66/84/38/349668438.db2.gz DWNFDEPSVAOZMV-KBPBESRZSA-N 2 1 239.407 2.636 20 30 BFEDMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)(C)CCC#N ZINC000135174338 343963878 /nfs/dbraw/zinc/96/38/78/343963878.db2.gz ILSUOYNHWSNBGM-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC[C@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000625704457 344048773 /nfs/dbraw/zinc/04/87/73/344048773.db2.gz YBKVNKDHVQXABN-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2C2CC2)CC1 ZINC000348115097 537839878 /nfs/dbraw/zinc/83/98/78/537839878.db2.gz GYTRRDTZRIOWTK-JKSUJKDBSA-N 2 1 248.414 2.805 20 30 BFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000586795705 346124231 /nfs/dbraw/zinc/12/42/31/346124231.db2.gz OASCPAYNGOSDFL-KKUMJFAQSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000586795705 346124236 /nfs/dbraw/zinc/12/42/36/346124236.db2.gz OASCPAYNGOSDFL-KKUMJFAQSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309715268 347146838 /nfs/dbraw/zinc/14/68/38/347146838.db2.gz SODZJGPMYLGZGC-IHRRRGAJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309780054 347162283 /nfs/dbraw/zinc/16/22/83/347162283.db2.gz QVTHASRUWWUONO-RFQIPJPRSA-N 2 1 224.392 2.659 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309780054 347162285 /nfs/dbraw/zinc/16/22/85/347162285.db2.gz QVTHASRUWWUONO-RFQIPJPRSA-N 2 1 224.392 2.659 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310002310 347217825 /nfs/dbraw/zinc/21/78/25/347217825.db2.gz FHMSEMZZUIKXPX-HZSPNIEDSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310002310 347217828 /nfs/dbraw/zinc/21/78/28/347217828.db2.gz FHMSEMZZUIKXPX-HZSPNIEDSA-N 2 1 224.392 2.804 20 30 BFEDMP N#CC1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000596651772 348606346 /nfs/dbraw/zinc/60/63/46/348606346.db2.gz NLANVGRXGBTESF-KGLIPLIRSA-N 2 1 249.402 2.568 20 30 BFEDMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000598981245 349070984 /nfs/dbraw/zinc/07/09/84/349070984.db2.gz VZXOSJXDDAQHOV-IHRRRGAJSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275463047 188265983 /nfs/dbraw/zinc/26/59/83/188265983.db2.gz HHIQLHFKDTUUDW-BFHYXJOUSA-N 2 1 247.386 2.636 20 30 BFEDMP C=CCC(C)(C)C[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000292961299 353730091 /nfs/dbraw/zinc/73/00/91/353730091.db2.gz LJJICLNTJOUUJV-UHFFFAOYSA-N 2 1 247.386 2.840 20 30 BFEDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049554335 356480603 /nfs/dbraw/zinc/48/06/03/356480603.db2.gz PMJCZOGRLNBUNI-STQMWFEESA-N 2 1 245.370 2.549 20 30 BFEDMP C=C(C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccccc1 ZINC000129947910 358602840 /nfs/dbraw/zinc/60/28/40/358602840.db2.gz VTXXMLMFTNOLTM-ZBFHGGJFSA-N 2 1 244.382 2.630 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000130580442 358632724 /nfs/dbraw/zinc/63/27/24/358632724.db2.gz WNOAOJORKINROC-FFHGMXDLSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000130580442 358632727 /nfs/dbraw/zinc/63/27/27/358632727.db2.gz WNOAOJORKINROC-FFHGMXDLSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629396515 361043251 /nfs/dbraw/zinc/04/32/51/361043251.db2.gz LYDNWSXQKZXSKM-MELADBBJSA-N 2 1 224.392 2.851 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000629510008 361106309 /nfs/dbraw/zinc/10/63/09/361106309.db2.gz OEIQGXAVJBDIDN-LLVKDONJSA-N 2 1 233.359 2.747 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629539479 361406359 /nfs/dbraw/zinc/40/63/59/361406359.db2.gz MIIHJNYXKOMIHL-IHRRRGAJSA-N 2 1 224.392 2.851 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000629549119 361435498 /nfs/dbraw/zinc/43/54/98/361435498.db2.gz ISBBGIHKZRCWOW-OAHLLOKOSA-N 2 1 236.403 2.664 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C(C)C)CC1 ZINC000152967187 201215336 /nfs/dbraw/zinc/21/53/36/201215336.db2.gz ODYLWMVVCIBTRC-ZDUSSCGKSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120989 371321503 /nfs/dbraw/zinc/32/15/03/371321503.db2.gz LHCSIISYCBCXGD-ZNMIVQPWSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367597362 384492316 /nfs/dbraw/zinc/49/23/16/384492316.db2.gz MSOQWWQFEAARHC-RRFJBIMHSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735263 384659289 /nfs/dbraw/zinc/65/92/89/384659289.db2.gz MAVANIREHCQGHV-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735263 384659305 /nfs/dbraw/zinc/65/93/05/384659305.db2.gz MAVANIREHCQGHV-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2C)CC1 ZINC000414125411 385975585 /nfs/dbraw/zinc/97/55/85/385975585.db2.gz QEASLIGWVGXRCF-GZBFAFLISA-N 2 1 236.403 2.661 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000347107241 386252583 /nfs/dbraw/zinc/25/25/83/386252583.db2.gz VCNALPKRROAORR-AWEZNQCLSA-N 2 1 232.327 2.501 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228609515 387112965 /nfs/dbraw/zinc/11/29/65/387112965.db2.gz ULJXDPJEROFSLK-MJBXVCDLSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228609515 387112973 /nfs/dbraw/zinc/11/29/73/387112973.db2.gz ULJXDPJEROFSLK-MJBXVCDLSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000119957481 387157714 /nfs/dbraw/zinc/15/77/14/387157714.db2.gz PXAWHHOQZHNHTA-INIZCTEOSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CCC[C@@H]([NH2+][C@@H](C[NH3+])CCCC)C1CC1 ZINC000423303815 387137360 /nfs/dbraw/zinc/13/73/60/387137360.db2.gz XOILORVUXMXURY-ZIAGYGMSSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423357174 387208752 /nfs/dbraw/zinc/20/87/52/387208752.db2.gz HWXLZLLYJCNLSZ-IHRRRGAJSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423507332 387345941 /nfs/dbraw/zinc/34/59/41/387345941.db2.gz IIRULGNTVFGWOA-KGLIPLIRSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527929041 387793083 /nfs/dbraw/zinc/79/30/83/387793083.db2.gz VWIMNRWJKRFNCD-STQMWFEESA-N 2 1 224.392 2.661 20 30 BFEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442832077 387847886 /nfs/dbraw/zinc/84/78/86/387847886.db2.gz CMINWBGVEPYHHK-ILXRZTDVSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000453308704 388040810 /nfs/dbraw/zinc/04/08/10/388040810.db2.gz NKTQJMPDHFJHQF-MCIONIFRSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423263992 388042985 /nfs/dbraw/zinc/04/29/85/388042985.db2.gz PIEQFKVVWQRKQM-STQMWFEESA-N 2 1 212.381 2.694 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](C#N)C2)CCCC1 ZINC000447510075 388074383 /nfs/dbraw/zinc/07/43/83/388074383.db2.gz OLAPCAIQOLHLJG-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP CCCC[C@H](C[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423294876 388077070 /nfs/dbraw/zinc/07/70/70/388077070.db2.gz DADWXFCAAIVMRT-ROKHWSDSSA-N 2 1 237.391 2.566 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])CCCC ZINC000423294888 388077076 /nfs/dbraw/zinc/07/70/76/388077076.db2.gz DCGAPGCGLUHGTQ-AVGNSLFASA-N 2 1 212.381 2.694 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H](C[NH3+])CCCC ZINC000423297700 388080004 /nfs/dbraw/zinc/08/00/04/388080004.db2.gz LLIFGTVMJFKYEX-QWHCGFSZSA-N 2 1 212.381 2.838 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449252102 388162679 /nfs/dbraw/zinc/16/26/79/388162679.db2.gz QCIPOSHYMWGAQA-CQSZACIVSA-N 2 1 236.403 2.973 20 30 BFEDMP C=C[C@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000489484733 388217151 /nfs/dbraw/zinc/21/71/51/388217151.db2.gz XOTHMGNMKZEFPI-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000489484733 388217153 /nfs/dbraw/zinc/21/71/53/388217153.db2.gz XOTHMGNMKZEFPI-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000489484733 388217156 /nfs/dbraw/zinc/21/71/56/388217156.db2.gz XOTHMGNMKZEFPI-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000381356792 388571990 /nfs/dbraw/zinc/57/19/90/388571990.db2.gz CJTQXDMSKBABHU-MCIONIFRSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000381356792 388571992 /nfs/dbraw/zinc/57/19/92/388571992.db2.gz CJTQXDMSKBABHU-MCIONIFRSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000368446474 134218355 /nfs/dbraw/zinc/21/83/55/134218355.db2.gz XHZHXPAMZWMQMP-XHSDSOJGSA-N 2 1 248.414 2.948 20 30 BFEDMP CC[NH+](CC)[C@@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000174259206 134279856 /nfs/dbraw/zinc/27/98/56/134279856.db2.gz KXHAQDAEHNBTNW-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000222870272 134335175 /nfs/dbraw/zinc/33/51/75/134335175.db2.gz VTXXMLMFTNOLTM-GOEBONIOSA-N 2 1 244.382 2.630 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000337519290 135018799 /nfs/dbraw/zinc/01/87/99/135018799.db2.gz OCJKWGCZVMPYOX-OAHLLOKOSA-N 2 1 248.414 2.949 20 30 BFEDMP C=CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338568847 135040580 /nfs/dbraw/zinc/04/05/80/135040580.db2.gz AEPYZDMXPGYUML-KGLIPLIRSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[NH+](C)Cc1ccc(C[N@@H+](C)CC=C)cc1 ZINC000121308464 135222507 /nfs/dbraw/zinc/22/25/07/135222507.db2.gz LVIZMSVIJVRTIW-UHFFFAOYSA-N 2 1 244.382 2.922 20 30 BFEDMP Cc1ccncc1CCC[N@H+](C)[C@@H](C)CC#N ZINC000347771119 136008663 /nfs/dbraw/zinc/00/86/63/136008663.db2.gz IHXXAPQSAOGZSU-ZDUSSCGKSA-N 2 1 231.343 2.557 20 30 BFEDMP Cc1ccncc1CCCN(C)[C@@H](C)CC#N ZINC000347771119 136008664 /nfs/dbraw/zinc/00/86/64/136008664.db2.gz IHXXAPQSAOGZSU-ZDUSSCGKSA-N 2 1 231.343 2.557 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H]2CC)CC1 ZINC000348125171 136032995 /nfs/dbraw/zinc/03/29/95/136032995.db2.gz XLISHZSFRRFPMD-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2CC)CC1 ZINC000348125170 136033322 /nfs/dbraw/zinc/03/33/22/136033322.db2.gz XLISHZSFRRFPMD-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000336776172 397910456 /nfs/dbraw/zinc/91/04/56/397910456.db2.gz DYSXMBDOUNRRHF-KBPBESRZSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[N@@H+](C[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884923 397925815 /nfs/dbraw/zinc/92/58/15/397925815.db2.gz LBWHHIKAZIMHAV-OAHLLOKOSA-N 2 1 236.403 2.664 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@@H](C)CC)CC1 ZINC000093067365 398093892 /nfs/dbraw/zinc/09/38/92/398093892.db2.gz GWUONNAIWNYETA-ZDUSSCGKSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875127 398078126 /nfs/dbraw/zinc/07/81/26/398078126.db2.gz IPNWBYXHKYTKHM-CQSZACIVSA-N 2 1 247.386 2.506 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000661385839 410601914 /nfs/dbraw/zinc/60/19/14/410601914.db2.gz QHOUUFSHPPVFDH-AWEZNQCLSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000661385839 410601921 /nfs/dbraw/zinc/60/19/21/410601921.db2.gz QHOUUFSHPPVFDH-AWEZNQCLSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000651678541 411135023 /nfs/dbraw/zinc/13/50/23/411135023.db2.gz TVKFUBAXDPETRO-QKPAOTATSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000651678541 411135025 /nfs/dbraw/zinc/13/50/25/411135025.db2.gz TVKFUBAXDPETRO-QKPAOTATSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000651678540 411135043 /nfs/dbraw/zinc/13/50/43/411135043.db2.gz TVKFUBAXDPETRO-FXUDXRNXSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000651678540 411135045 /nfs/dbraw/zinc/13/50/45/411135045.db2.gz TVKFUBAXDPETRO-FXUDXRNXSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000651693379 411137055 /nfs/dbraw/zinc/13/70/55/411137055.db2.gz MNASOYPLZDWYEZ-KBPBESRZSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000657824169 411607562 /nfs/dbraw/zinc/60/75/62/411607562.db2.gz RZBCRUAWYQANTA-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662299812 412087137 /nfs/dbraw/zinc/08/71/37/412087137.db2.gz XNPIUPDYYZGCFE-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000245930492 323007687 /nfs/dbraw/zinc/00/76/87/323007687.db2.gz JBWABAIRIUOOHZ-UKRRQHHQSA-N 2 1 236.403 2.663 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C)CC1 ZINC000152011922 323099596 /nfs/dbraw/zinc/09/95/96/323099596.db2.gz VPQDBLVTWKNPNV-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000566543953 326062877 /nfs/dbraw/zinc/06/28/77/326062877.db2.gz YMLXHBXPDCUYHM-UHFFFAOYSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000126822396 490519967 /nfs/dbraw/zinc/51/99/67/490519967.db2.gz UMTXGEFSRBXOFI-OLZOCXBDSA-N 2 1 212.381 2.661 20 30 BFEDMP C=C(CC)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352924471 534371265 /nfs/dbraw/zinc/37/12/65/534371265.db2.gz ZKTLGZOSSHRIQR-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352924471 534371268 /nfs/dbraw/zinc/37/12/68/534371268.db2.gz ZKTLGZOSSHRIQR-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(CC)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352924471 534371274 /nfs/dbraw/zinc/37/12/74/534371274.db2.gz ZKTLGZOSSHRIQR-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(CC)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000358502019 534386687 /nfs/dbraw/zinc/38/66/87/534386687.db2.gz UPCLJMYYQDQNHT-OAHLLOKOSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000309346678 534694367 /nfs/dbraw/zinc/69/43/67/534694367.db2.gz WPEYTSLAOZFWSJ-MGPQQGTHSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366620006 534721176 /nfs/dbraw/zinc/72/11/76/534721176.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620006 534721184 /nfs/dbraw/zinc/72/11/84/534721184.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366620006 534721186 /nfs/dbraw/zinc/72/11/86/534721186.db2.gz LFPPMTQYCFYDMN-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000495094326 526604856 /nfs/dbraw/zinc/60/48/56/526604856.db2.gz SMQKRMNVEHIEBA-UMVBOHGHSA-N 2 1 236.403 2.661 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H](C[NH2+]C)C1 ZINC000112706149 588813101 /nfs/dbraw/zinc/81/31/01/588813101.db2.gz CXUKYJPNTVCBSP-CQSZACIVSA-N 2 1 226.408 2.888 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000903713655 584793412 /nfs/dbraw/zinc/79/34/12/584793412.db2.gz YWFVEIUODPCMKF-AWEZNQCLSA-N 2 1 249.402 2.521 20 30 BFEDMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744279 584796505 /nfs/dbraw/zinc/79/65/05/584796505.db2.gz QTYRMZZSZIZMCF-KBPBESRZSA-N 2 1 249.402 2.520 20 30 BFEDMP C#CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465589 585284991 /nfs/dbraw/zinc/28/49/91/585284991.db2.gz PAWFBPOGZPIHCW-LSDHHAIUSA-N 2 1 248.414 2.642 20 30 BFEDMP C=CC[NH+](CC#CC[N@H+](CC=C)C(C)C)C(C)C ZINC000792863609 586006126 /nfs/dbraw/zinc/00/61/26/586006126.db2.gz ZJNXCPBVUFBYPM-UHFFFAOYSA-N 2 1 248.414 2.783 20 30 BFEDMP CCC#C[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177572 586165681 /nfs/dbraw/zinc/16/56/81/586165681.db2.gz VIRPOTCIVHKTEA-OAHLLOKOSA-N 2 1 248.414 2.596 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000809683415 586511565 /nfs/dbraw/zinc/51/15/65/586511565.db2.gz CKFCDMKRCMYVTD-YCPHGPKFSA-N 2 1 248.414 2.641 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000809683414 586511725 /nfs/dbraw/zinc/51/17/25/586511725.db2.gz CKFCDMKRCMYVTD-OFQRWUPVSA-N 2 1 248.414 2.641 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000815652640 586690644 /nfs/dbraw/zinc/69/06/44/586690644.db2.gz KZGDDCZXFYIPFS-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@H](C)CCC ZINC000815652640 586690642 /nfs/dbraw/zinc/69/06/42/586690642.db2.gz KZGDDCZXFYIPFS-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000815652638 586690724 /nfs/dbraw/zinc/69/07/24/586690724.db2.gz KZGDDCZXFYIPFS-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@H](C)CCC ZINC000815652638 586690725 /nfs/dbraw/zinc/69/07/25/586690725.db2.gz KZGDDCZXFYIPFS-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000873280667 590017846 /nfs/dbraw/zinc/01/78/46/590017846.db2.gz USYZINIJUYBLHH-CHWSQXEVSA-N 2 1 224.392 2.566 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@H+]1CC ZINC000876881966 590252874 /nfs/dbraw/zinc/25/28/74/590252874.db2.gz VIRICSUNNQAIFA-HNNXBMFYSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@@H]1CCC[N@@H+]1CC ZINC000876881966 590252876 /nfs/dbraw/zinc/25/28/76/590252876.db2.gz VIRICSUNNQAIFA-HNNXBMFYSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000876929888 590258423 /nfs/dbraw/zinc/25/84/23/590258423.db2.gz OPWRPPKVBWNROQ-OAHLLOKOSA-N 2 1 248.414 2.644 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940870 590259329 /nfs/dbraw/zinc/25/93/29/590259329.db2.gz ZKDDAJOAMVSDOA-HZPDHXFCSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH2+]CC[N@H+]1CCC[C@@H]1C ZINC000877153260 590292867 /nfs/dbraw/zinc/29/28/67/590292867.db2.gz GRISIDDZFKVONR-HNNXBMFYSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+]CC[N@@H+]1CCC[C@@H]1C ZINC000877153260 590292869 /nfs/dbraw/zinc/29/28/69/590292869.db2.gz GRISIDDZFKVONR-HNNXBMFYSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000877539117 590350668 /nfs/dbraw/zinc/35/06/68/590350668.db2.gz IYLLVFNZBBYRSO-HNNXBMFYSA-N 2 1 238.419 2.888 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000877539117 590350669 /nfs/dbraw/zinc/35/06/69/590350669.db2.gz IYLLVFNZBBYRSO-HNNXBMFYSA-N 2 1 238.419 2.888 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738214 590405053 /nfs/dbraw/zinc/40/50/53/590405053.db2.gz APCPLTVOBMKFRQ-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738214 590405056 /nfs/dbraw/zinc/40/50/56/590405056.db2.gz APCPLTVOBMKFRQ-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738214 590405057 /nfs/dbraw/zinc/40/50/57/590405057.db2.gz APCPLTVOBMKFRQ-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738214 590405060 /nfs/dbraw/zinc/40/50/60/590405060.db2.gz APCPLTVOBMKFRQ-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000878123646 590500088 /nfs/dbraw/zinc/50/00/88/590500088.db2.gz CPQMDPMFAMORBL-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C=CC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000878136082 590505019 /nfs/dbraw/zinc/50/50/19/590505019.db2.gz REQMIHUDIDAHLK-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000878136082 590505021 /nfs/dbraw/zinc/50/50/21/590505021.db2.gz REQMIHUDIDAHLK-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149349 590506005 /nfs/dbraw/zinc/50/60/05/590506005.db2.gz WHNVUELNVTWUSW-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878157122 590509035 /nfs/dbraw/zinc/50/90/35/590509035.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157122 590509037 /nfs/dbraw/zinc/50/90/37/590509037.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157122 590509040 /nfs/dbraw/zinc/50/90/40/590509040.db2.gz VSVCDASGLUWEAW-UKRRQHHQSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000878159510 590510486 /nfs/dbraw/zinc/51/04/86/590510486.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000878159510 590510488 /nfs/dbraw/zinc/51/04/88/590510488.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000878159510 590510490 /nfs/dbraw/zinc/51/04/90/590510490.db2.gz MWYJEMIGGLZOGJ-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572366 590810820 /nfs/dbraw/zinc/81/08/20/590810820.db2.gz GQNBQAUGQBKNAP-CABCVRRESA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879572366 590810821 /nfs/dbraw/zinc/81/08/21/590810821.db2.gz GQNBQAUGQBKNAP-CABCVRRESA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572366 590810823 /nfs/dbraw/zinc/81/08/23/590810823.db2.gz GQNBQAUGQBKNAP-CABCVRRESA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572366 590810825 /nfs/dbraw/zinc/81/08/25/590810825.db2.gz GQNBQAUGQBKNAP-CABCVRRESA-N 2 1 238.419 2.983 20 30 BFEDMP C=C(CC)C[NH+]1CCC(C)([NH+]2CCC2)CC1 ZINC000880473777 591053354 /nfs/dbraw/zinc/05/33/54/591053354.db2.gz NUJAFXWMAWMXHW-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439014 591667598 /nfs/dbraw/zinc/66/75/98/591667598.db2.gz HBXYCNNXOSCRQQ-GXTWGEPZSA-N 2 1 224.392 2.648 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300047486 592501845 /nfs/dbraw/zinc/50/18/45/592501845.db2.gz IWURRQQMMMDVAE-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000300047486 592501849 /nfs/dbraw/zinc/50/18/49/592501849.db2.gz IWURRQQMMMDVAE-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1C/C=C/C[N@@H+]1CC[C@H]1CC=C ZINC000934460561 631848327 /nfs/dbraw/zinc/84/83/27/631848327.db2.gz QKURHOQXYWTULU-DOOVEFGSSA-N 2 1 246.398 2.843 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1C ZINC000328042597 633227810 /nfs/dbraw/zinc/22/78/10/633227810.db2.gz XSGWHKTXVXZDMN-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1C ZINC000328042597 633227813 /nfs/dbraw/zinc/22/78/13/633227813.db2.gz XSGWHKTXVXZDMN-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000328229423 633743379 /nfs/dbraw/zinc/74/33/79/633743379.db2.gz CMBGLKVCGNTYRQ-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)C[C@@H](C)CC ZINC000328229423 633743385 /nfs/dbraw/zinc/74/33/85/633743385.db2.gz CMBGLKVCGNTYRQ-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000059089456 640783910 /nfs/dbraw/zinc/78/39/10/640783910.db2.gz NKBPZJLGBJQRQB-CYBMUJFWSA-N 2 1 212.381 2.628 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000232952132 642637841 /nfs/dbraw/zinc/63/78/41/642637841.db2.gz LSLVCRKYEWIGES-CYBMUJFWSA-N 2 1 212.381 2.628 20 30 BFEDMP C=CCCC[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925655851 646394708 /nfs/dbraw/zinc/39/47/08/646394708.db2.gz WZFFCNPOYSNIKT-OCCSQVGLSA-N 2 1 218.344 2.631 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000925732028 646455614 /nfs/dbraw/zinc/45/56/14/646455614.db2.gz WMQXLTXWWIVZCT-QWHCGFSZSA-N 2 1 224.392 2.709 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000390150453 711107638 /nfs/dbraw/zinc/10/76/38/711107638.db2.gz TYPHTABDUWBQCZ-KGLIPLIRSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000393773725 711677783 /nfs/dbraw/zinc/67/77/83/711677783.db2.gz KZONKNXXTQLBIV-FUDCBSFHSA-N 2 1 222.376 2.556 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000703642892 712081877 /nfs/dbraw/zinc/08/18/77/712081877.db2.gz DWEYSRXKMKRKIX-CQSZACIVSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CCCCCC[NH3+])C1 ZINC000703642891 712082254 /nfs/dbraw/zinc/08/22/54/712082254.db2.gz DWEYSRXKMKRKIX-AWEZNQCLSA-N 2 1 224.392 2.794 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000250806626 712834925 /nfs/dbraw/zinc/83/49/25/712834925.db2.gz FWIZURZHNFLWNO-OLZOCXBDSA-N 2 1 212.381 2.768 20 30 BFEDMP C=CCCCCCCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236167869 966285418 /nfs/dbraw/zinc/28/54/18/966285418.db2.gz HEAQHPMNLRUSTG-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236167869 966285426 /nfs/dbraw/zinc/28/54/26/966285426.db2.gz HEAQHPMNLRUSTG-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CC[N@H+](CC1CC[NH+](C)CC1)C(C)(C)C ZINC001207401193 968752665 /nfs/dbraw/zinc/75/26/65/968752665.db2.gz NWWKCRXCRRFHTD-UHFFFAOYSA-N 2 1 224.392 2.615 20 30 BFEDMP CCCCCCCC[N@@H+](C)CCC1C[NH2+]C1 ZINC001235664792 979111759 /nfs/dbraw/zinc/11/17/59/979111759.db2.gz WFIKXJXMJNFHRK-UHFFFAOYSA-N 2 1 226.408 2.888 20 30 BFEDMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958886 979227708 /nfs/dbraw/zinc/22/77/08/979227708.db2.gz KWICLPBVWHCDGC-BTTYYORXSA-N 2 1 224.392 2.626 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001209432876 957465231 /nfs/dbraw/zinc/46/52/31/957465231.db2.gz LTXZQUAOWCTTRA-HUUCEWRRSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237744 972421751 /nfs/dbraw/zinc/42/17/51/972421751.db2.gz RYSXVTDGWCPUFX-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122519 966005179 /nfs/dbraw/zinc/00/51/79/966005179.db2.gz GRYBTLIVUDIYIB-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235122519 966005186 /nfs/dbraw/zinc/00/51/86/966005186.db2.gz GRYBTLIVUDIYIB-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC001236817179 966555225 /nfs/dbraw/zinc/55/52/25/966555225.db2.gz ABAXFOIEXXSWIT-SOUVJXGZSA-N 2 1 236.403 2.792 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764316 967153052 /nfs/dbraw/zinc/15/30/52/967153052.db2.gz WESDMTAGBYWWEO-HUUCEWRRSA-N 2 1 234.387 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](C)([NH3+])C2)CC1 ZINC001204764316 967153059 /nfs/dbraw/zinc/15/30/59/967153059.db2.gz WESDMTAGBYWWEO-HUUCEWRRSA-N 2 1 234.387 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204764315 967154540 /nfs/dbraw/zinc/15/45/40/967154540.db2.gz WESDMTAGBYWWEO-CABCVRRESA-N 2 1 234.387 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](C)([NH3+])C2)CC1 ZINC001204764315 967154553 /nfs/dbraw/zinc/15/45/53/967154553.db2.gz WESDMTAGBYWWEO-CABCVRRESA-N 2 1 234.387 2.712 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@](C)([NH3+])C1 ZINC001204937826 967243855 /nfs/dbraw/zinc/24/38/55/967243855.db2.gz HBSLMLOPRIKXNY-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001169118062 969412429 /nfs/dbraw/zinc/41/24/29/969412429.db2.gz CQFXQHWRFNJCMB-QKDCVEJESA-N 2 1 246.398 2.537 20 30 BFEDMP C#CC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169118062 969412436 /nfs/dbraw/zinc/41/24/36/969412436.db2.gz CQFXQHWRFNJCMB-QKDCVEJESA-N 2 1 246.398 2.537 20 30 BFEDMP C=CCCCC[N@H+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153337 969464878 /nfs/dbraw/zinc/46/48/78/969464878.db2.gz JDBWBCIXGTZLAQ-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153337 969464886 /nfs/dbraw/zinc/46/48/86/969464886.db2.gz JDBWBCIXGTZLAQ-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153337 969464899 /nfs/dbraw/zinc/46/48/99/969464899.db2.gz JDBWBCIXGTZLAQ-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001209432452 969500134 /nfs/dbraw/zinc/50/01/34/969500134.db2.gz FGXYXPBLRYJZCK-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C[N@H+]1CCC[C@H]([NH2+]CCCCCCS)CC1 ZINC001254511677 969679580 /nfs/dbraw/zinc/67/95/80/969679580.db2.gz CDZJXHGDEVLVRD-ZDUSSCGKSA-N 2 1 244.448 2.551 20 30 BFEDMP CC[C@@H](CC#N)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255164483 969972069 /nfs/dbraw/zinc/97/20/69/969972069.db2.gz MVVXLFXXDAFTRK-KGLIPLIRSA-N 2 1 237.391 2.520 20 30 BFEDMP CCCC[N@H+](CC)CC[NH2+][C@H](C)CCCC#N ZINC001172478526 974776491 /nfs/dbraw/zinc/77/64/91/974776491.db2.gz CYTXYZNXSHOPSW-CQSZACIVSA-N 2 1 239.407 2.780 20 30 BFEDMP CCCC[N@@H+](CC)CC[NH2+][C@H](C)CCCC#N ZINC001172478526 974776496 /nfs/dbraw/zinc/77/64/96/974776496.db2.gz CYTXYZNXSHOPSW-CQSZACIVSA-N 2 1 239.407 2.780 20 30 BFEDMP CC(C)[N@@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173585073 975422242 /nfs/dbraw/zinc/42/22/42/975422242.db2.gz ZBRRJFPGFFXXAK-UHFFFAOYSA-N 2 1 237.391 2.518 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC3(C[NH2+]C3)C2)CC1 ZINC001235025237 978956178 /nfs/dbraw/zinc/95/61/78/978956178.db2.gz YFMPSXUJULBLKE-OAHLLOKOSA-N 2 1 246.398 2.584 20 30 BFEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235209975 978999327 /nfs/dbraw/zinc/99/93/27/978999327.db2.gz GZJDVKKVEZRTAQ-FICVDOATSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CCCCCCCC[N@@H+](C)CCC[NH3+] ZINC001235435247 979045726 /nfs/dbraw/zinc/04/57/26/979045726.db2.gz FDEHBORYIJNRBX-UHFFFAOYSA-N 2 1 212.381 2.794 20 30 BFEDMP C#C[C@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235946748 979219776 /nfs/dbraw/zinc/21/97/76/979219776.db2.gz RNYDCYKPBOKDSM-HNNXBMFYSA-N 2 1 248.414 2.644 20 30 BFEDMP C=C(C)C[N@H+](CC)Cc1ccc2c(c1)CC[NH2+]C2 ZINC001235949980 979222211 /nfs/dbraw/zinc/22/22/11/979222211.db2.gz LJUGMVNIZVOAPH-UHFFFAOYSA-N 2 1 244.382 2.730 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H](C)C[C@@H]([NH3+])C1 ZINC001236043679 979333465 /nfs/dbraw/zinc/33/34/65/979333465.db2.gz DDJHCZCSXFFSNZ-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CC[N@H+](CCCC[NH3+])C1CCCCC1 ZINC001236433401 979597113 /nfs/dbraw/zinc/59/71/13/979597113.db2.gz INXXJXAUXOHIBL-UHFFFAOYSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCCC[N@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001236414751 979586254 /nfs/dbraw/zinc/58/62/54/979586254.db2.gz SFTURGODGYVRLD-FICVDOATSA-N 2 1 236.403 2.663 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@](C)(C[NH3+])C2)CC1 ZINC001236603596 979678193 /nfs/dbraw/zinc/67/81/93/979678193.db2.gz AQJRUPDAFVTLPG-HZPDHXFCSA-N 2 1 248.414 2.960 20 30 BFEDMP CCC#C[C@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459508338 985524877 /nfs/dbraw/zinc/52/48/77/985524877.db2.gz NEKHGPHKEKKVBP-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP CCC#C[C@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459508338 985524889 /nfs/dbraw/zinc/52/48/89/985524889.db2.gz NEKHGPHKEKKVBP-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC001460865604 985923978 /nfs/dbraw/zinc/92/39/78/985923978.db2.gz YNHQSMQRCMPDTD-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC001460865604 985923991 /nfs/dbraw/zinc/92/39/91/985923991.db2.gz YNHQSMQRCMPDTD-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC001460865604 985924006 /nfs/dbraw/zinc/92/40/06/985924006.db2.gz YNHQSMQRCMPDTD-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001258719957 986048424 /nfs/dbraw/zinc/04/84/24/986048424.db2.gz NAYILWYKYYZMSL-RDBSUJKOSA-N 2 1 224.392 2.804 20 30 BFEDMP C#CC(CC)(CC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001255662415 987047360 /nfs/dbraw/zinc/04/73/60/987047360.db2.gz KUZAVNOYDDKNSK-GOOCMWNKSA-N 2 1 248.414 2.783 20 30 BFEDMP CCCCCCC[C@H](CC)[NH2+]CC[NH2+]C ZINC001246071824 987360427 /nfs/dbraw/zinc/36/04/27/987360427.db2.gz BAUZCLFVYYHANE-ZDUSSCGKSA-N 2 1 214.397 2.935 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612144 988235611 /nfs/dbraw/zinc/23/56/11/988235611.db2.gz HNPRVFKZVKUISY-HUUCEWRRSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001246612145 988243214 /nfs/dbraw/zinc/24/32/14/988243214.db2.gz HNPRVFKZVKUISY-LSDHHAIUSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644047 988353084 /nfs/dbraw/zinc/35/30/84/988353084.db2.gz PCSQRWPFFPLSCQ-KGLIPLIRSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858696 988591241 /nfs/dbraw/zinc/59/12/41/988591241.db2.gz HUOYQHVWUVQPHN-IOUZAIRSSA-N 2 1 246.398 2.544 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H]4CC[C@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858695 988594292 /nfs/dbraw/zinc/59/42/92/988594292.db2.gz HUOYQHVWUVQPHN-GOZOTGFRSA-N 2 1 246.398 2.544 20 30 BFEDMP C=CCC[C@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001258717510 991644714 /nfs/dbraw/zinc/64/47/14/991644714.db2.gz UENOFGUOILFPOD-AWEZNQCLSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001258717510 991644720 /nfs/dbraw/zinc/64/47/20/991644720.db2.gz UENOFGUOILFPOD-AWEZNQCLSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001258717510 991644726 /nfs/dbraw/zinc/64/47/26/991644726.db2.gz UENOFGUOILFPOD-AWEZNQCLSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001258717510 991644729 /nfs/dbraw/zinc/64/47/29/991644729.db2.gz UENOFGUOILFPOD-AWEZNQCLSA-N 2 1 232.371 2.802 20 30 BFEDMP C=C(C)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC001574836497 992924547 /nfs/dbraw/zinc/92/45/47/992924547.db2.gz NSZWNXFMTDFVES-INIZCTEOSA-N 2 1 244.382 2.674 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000381389712 993391480 /nfs/dbraw/zinc/39/14/80/993391480.db2.gz NBQUJRYOXWGHMO-MELADBBJSA-N 2 1 224.392 2.626 20 30 BFEDMP CCCCCCC[N@@H+](C)CCCC[NH3+] ZINC000385225001 993654749 /nfs/dbraw/zinc/65/47/49/993654749.db2.gz HRDZGKMDZPCAEB-UHFFFAOYSA-N 2 1 200.370 2.628 20 30 BFEDMP C=C(C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423022027 398161883 /nfs/dbraw/zinc/16/18/83/398161883.db2.gz DLOKXJYIZVTKSQ-HZPDHXFCSA-N 2 1 244.382 2.949 20 30 BFEDMP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000235614488 343054745 /nfs/dbraw/zinc/05/47/45/343054745.db2.gz TXJUOVGKRNMXET-UONOGXRCSA-N 2 1 224.392 2.805 20 30 BFEDMP C=C1CC[NH+](CC(C)C[NH+]2CCC(=C)CC2)CC1 ZINC000265548122 187235121 /nfs/dbraw/zinc/23/51/21/187235121.db2.gz XYAFVZIJTKGUHS-UHFFFAOYSA-N 2 1 248.414 2.927 20 30 BFEDMP C[C@H](CCC#N)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602952059 349829134 /nfs/dbraw/zinc/82/91/34/349829134.db2.gz SDOFAJLLKTYXJC-CQSZACIVSA-N 2 1 249.402 2.629 20 30 BFEDMP C=CC[C@@H]1CC[N@H+](CCC[NH+](CC)CC)C1 ZINC000625704458 344048634 /nfs/dbraw/zinc/04/86/34/344048634.db2.gz YBKVNKDHVQXABN-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)C[NH+](C)CCCC[N@H+](C)CC(=C)C ZINC000118401498 344508720 /nfs/dbraw/zinc/50/87/20/344508720.db2.gz JVEQASVLRYMLHA-UHFFFAOYSA-N 2 1 224.392 2.782 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000358512500 344570329 /nfs/dbraw/zinc/57/03/29/344570329.db2.gz TVUAAZPDOZWKQB-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358503685 344565409 /nfs/dbraw/zinc/56/54/09/344565409.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358503685 344565413 /nfs/dbraw/zinc/56/54/13/344565413.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358503685 344565416 /nfs/dbraw/zinc/56/54/16/344565416.db2.gz DNYHWICIOUMSPE-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277081205 166256356 /nfs/dbraw/zinc/25/63/56/166256356.db2.gz FHVGDONXFUGDFY-UHFFFAOYSA-N 2 1 235.375 2.734 20 30 BFEDMP C=CCC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277081205 166256361 /nfs/dbraw/zinc/25/63/61/166256361.db2.gz FHVGDONXFUGDFY-UHFFFAOYSA-N 2 1 235.375 2.734 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513135 362939708 /nfs/dbraw/zinc/93/97/08/362939708.db2.gz JSUDYWVPZMWTHI-STQMWFEESA-N 2 1 224.392 2.804 20 30 BFEDMP C=C(C)C[NH+]1CCC(Nc2cc(C)cc[nH+]2)CC1 ZINC000268314226 188261440 /nfs/dbraw/zinc/26/14/40/188261440.db2.gz KZOOONQSICNENH-UHFFFAOYSA-N 2 1 245.370 2.842 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@@H+](CC)CCC ZINC000230665337 363318440 /nfs/dbraw/zinc/31/84/40/363318440.db2.gz QQIUDYGXKDQYPK-CYBMUJFWSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@H+](CC)CCC ZINC000230665337 363318444 /nfs/dbraw/zinc/31/84/44/363318444.db2.gz QQIUDYGXKDQYPK-CYBMUJFWSA-N 2 1 212.381 2.663 20 30 BFEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000351891954 356158171 /nfs/dbraw/zinc/15/81/71/356158171.db2.gz RURZWSNYTQFUNH-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784861 202035898 /nfs/dbraw/zinc/03/58/98/202035898.db2.gz YVSSYKUGXBMRNX-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784861 202035901 /nfs/dbraw/zinc/03/59/01/202035901.db2.gz YVSSYKUGXBMRNX-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449783089 202035962 /nfs/dbraw/zinc/03/59/62/202035962.db2.gz NEISWMYAOKCTFC-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000449783089 202035966 /nfs/dbraw/zinc/03/59/66/202035966.db2.gz NEISWMYAOKCTFC-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000167724994 134153531 /nfs/dbraw/zinc/15/35/31/134153531.db2.gz BXBVBEYKAUXYHN-RWMBFGLXSA-N 2 1 242.794 2.639 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676412 134226959 /nfs/dbraw/zinc/22/69/59/134226959.db2.gz KMYHTZJHEHCOTQ-RRFJBIMHSA-N 2 1 236.403 2.948 20 30 BFEDMP CC#CCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639985647 358026319 /nfs/dbraw/zinc/02/63/19/358026319.db2.gz DILPMBWZNHKUHE-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP N#CCCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000049579422 358695445 /nfs/dbraw/zinc/69/54/45/358695445.db2.gz IYGIRIFDEKTUKN-UHFFFAOYSA-N 2 1 249.402 2.631 20 30 BFEDMP C=CCCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861301 359229882 /nfs/dbraw/zinc/22/98/82/359229882.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861301 359229886 /nfs/dbraw/zinc/22/98/86/359229886.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861301 359229891 /nfs/dbraw/zinc/22/98/91/359229891.db2.gz VNBKOYWVYGPMNM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000092746988 360193816 /nfs/dbraw/zinc/19/38/16/360193816.db2.gz IAYUURYWHLPUFL-LZWOXQAQSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336667959 365346759 /nfs/dbraw/zinc/34/67/59/365346759.db2.gz QPJAKJLOQDLXME-KGLIPLIRSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C(C)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695907 367140483 /nfs/dbraw/zinc/14/04/83/367140483.db2.gz BHQNFUPNAQPDFV-ZIAGYGMSSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)C2)CC1 ZINC000174363184 374188007 /nfs/dbraw/zinc/18/80/07/374188007.db2.gz NCWWMIGQSQCSQJ-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000300359821 384358020 /nfs/dbraw/zinc/35/80/20/384358020.db2.gz PDPVRBHAKXPFFT-CHWSQXEVSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000300359821 384358026 /nfs/dbraw/zinc/35/80/26/384358026.db2.gz PDPVRBHAKXPFFT-CHWSQXEVSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)C1CC1 ZINC000120281945 387184257 /nfs/dbraw/zinc/18/42/57/387184257.db2.gz QJLMPXHTBAPJIS-HIFRSBDPSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423530085 387359840 /nfs/dbraw/zinc/35/98/40/387359840.db2.gz PFOGBLYSWRPVRZ-SGMGOOAPSA-N 2 1 224.392 2.694 20 30 BFEDMP CC1(C#N)CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000423502423 387343678 /nfs/dbraw/zinc/34/36/78/387343678.db2.gz LXNYGSCOCNFXDA-SHARSMKWSA-N 2 1 249.402 2.566 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275463050 387510275 /nfs/dbraw/zinc/51/02/75/387510275.db2.gz HHIQLHFKDTUUDW-MELADBBJSA-N 2 1 247.386 2.636 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527929038 387793231 /nfs/dbraw/zinc/79/32/31/387793231.db2.gz VWIMNRWJKRFNCD-OLZOCXBDSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000527927997 387793717 /nfs/dbraw/zinc/79/37/17/387793717.db2.gz SPEJQLFNXONKSW-ZIAGYGMSSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccco1 ZINC000423186413 387972172 /nfs/dbraw/zinc/97/21/72/387972172.db2.gz OAKXGFMMTBRDIU-CYBMUJFWSA-N 2 1 234.343 2.629 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423202313 387987773 /nfs/dbraw/zinc/98/77/73/387987773.db2.gz APIMNFKKIMDWTH-KGLIPLIRSA-N 2 1 248.370 2.876 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423202314 387986926 /nfs/dbraw/zinc/98/69/26/387986926.db2.gz APIMNFKKIMDWTH-UONOGXRCSA-N 2 1 248.370 2.876 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000423294889 388077134 /nfs/dbraw/zinc/07/71/34/388077134.db2.gz DCGAPGCGLUHGTQ-RWMBFGLXSA-N 2 1 212.381 2.694 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CCCC ZINC000423294891 388077729 /nfs/dbraw/zinc/07/77/29/388077729.db2.gz DCGAPGCGLUHGTQ-YNEHKIRRSA-N 2 1 212.381 2.694 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267200 388046038 /nfs/dbraw/zinc/04/60/38/388046038.db2.gz SXDBMXDVDVMTSI-RWMBFGLXSA-N 2 1 212.381 2.550 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000489444299 388214998 /nfs/dbraw/zinc/21/49/98/388214998.db2.gz WPQRSDBJSPXZLH-AWEZNQCLSA-N 2 1 233.359 2.622 20 30 BFEDMP C=C[C@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000489444299 388215000 /nfs/dbraw/zinc/21/50/00/388215000.db2.gz WPQRSDBJSPXZLH-AWEZNQCLSA-N 2 1 233.359 2.622 20 30 BFEDMP C=C(C)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000352016139 533484588 /nfs/dbraw/zinc/48/45/88/533484588.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000352016139 533484595 /nfs/dbraw/zinc/48/45/95/533484595.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000352016139 533484597 /nfs/dbraw/zinc/48/45/97/533484597.db2.gz VHEMAQATSSFVOG-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000106245981 134159739 /nfs/dbraw/zinc/15/97/39/134159739.db2.gz HNYMDHGTDJZPKS-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=CCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544386 135039428 /nfs/dbraw/zinc/03/94/28/135039428.db2.gz NOVSDIVTGMLJAO-ZNMIVQPWSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC2(C)C)CC1 ZINC000342705053 135311970 /nfs/dbraw/zinc/31/19/70/135311970.db2.gz ZTYSOYCXZQTCJA-AWEZNQCLSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000193347539 487609972 /nfs/dbraw/zinc/60/99/72/487609972.db2.gz KZDFZSYTGPPFDT-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCC[NH+](C)C/C=C/C[N@@H+](C)CCC=C ZINC000276336821 166256440 /nfs/dbraw/zinc/25/64/40/166256440.db2.gz BWUSMQYUDXJALU-MDZDMXLPSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000268839184 166302026 /nfs/dbraw/zinc/30/20/26/166302026.db2.gz HPHVKJUIGDMRFO-AWEZNQCLSA-N 2 1 235.375 2.916 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000651670259 411134128 /nfs/dbraw/zinc/13/41/28/411134128.db2.gz BGIGCZDGHFPWPC-UKRRQHHQSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000651670258 411134303 /nfs/dbraw/zinc/13/43/03/411134303.db2.gz BGIGCZDGHFPWPC-HIFRSBDPSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000651682857 411135609 /nfs/dbraw/zinc/13/56/09/411135609.db2.gz KICMQXXQJCZNGA-VHDGCEQUSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000651709186 411137831 /nfs/dbraw/zinc/13/78/31/411137831.db2.gz NGOHYVWIQFCZFL-RBSFLKMASA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000651822756 411146232 /nfs/dbraw/zinc/14/62/32/411146232.db2.gz JOKXSSJGLNAFDM-FVPDABNVSA-N 2 1 248.414 2.946 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000656787208 411366406 /nfs/dbraw/zinc/36/64/06/411366406.db2.gz GZGRAJRBLHKPRI-RBSFLKMASA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662299091 412086526 /nfs/dbraw/zinc/08/65/26/412086526.db2.gz KGHLXVGHKUNRQK-HNNXBMFYSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651676337 487815287 /nfs/dbraw/zinc/81/52/87/487815287.db2.gz WVXIGMPMEUWYFQ-KFWWJZLASA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000131975874 325193194 /nfs/dbraw/zinc/19/31/94/325193194.db2.gz CXPMFIJUJOEGIW-UONOGXRCSA-N 2 1 224.392 2.661 20 30 BFEDMP CCC#C[C@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478987 488048760 /nfs/dbraw/zinc/04/87/60/488048760.db2.gz FKPVPXPHFUIEPI-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478987 488048767 /nfs/dbraw/zinc/04/87/67/488048767.db2.gz FKPVPXPHFUIEPI-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000677478987 488048772 /nfs/dbraw/zinc/04/87/72/488048772.db2.gz FKPVPXPHFUIEPI-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000677478987 488048776 /nfs/dbraw/zinc/04/87/76/488048776.db2.gz FKPVPXPHFUIEPI-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP C=C(CC)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000358515235 534370854 /nfs/dbraw/zinc/37/08/54/534370854.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000358515235 534370859 /nfs/dbraw/zinc/37/08/59/534370859.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000358515235 534370867 /nfs/dbraw/zinc/37/08/67/534370867.db2.gz XLZGOUUIGNZJSR-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000358515258 534371718 /nfs/dbraw/zinc/37/17/18/534371718.db2.gz XPTZPFKQIFHLSK-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000354226539 534712968 /nfs/dbraw/zinc/71/29/68/534712968.db2.gz WOCMQRKKJRHYHP-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226539 534712974 /nfs/dbraw/zinc/71/29/74/534712974.db2.gz WOCMQRKKJRHYHP-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000354226539 534712976 /nfs/dbraw/zinc/71/29/76/534712976.db2.gz WOCMQRKKJRHYHP-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000174226411 534717500 /nfs/dbraw/zinc/71/75/00/534717500.db2.gz VDUHDARYVVEJEM-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366620010 534719818 /nfs/dbraw/zinc/71/98/18/534719818.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366620010 534719823 /nfs/dbraw/zinc/71/98/23/534719823.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366620010 534719828 /nfs/dbraw/zinc/71/98/28/534719828.db2.gz LFPPMTQYCFYDMN-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000366619824 534721143 /nfs/dbraw/zinc/72/11/43/534721143.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000366619824 534721145 /nfs/dbraw/zinc/72/11/45/534721145.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000366619824 534721149 /nfs/dbraw/zinc/72/11/49/534721149.db2.gz LFPPMTQYCFYDMN-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCC[N@H+](C)[C@@H]1CCC[NH+](CCC=C)CC1 ZINC000338568821 534770456 /nfs/dbraw/zinc/77/04/56/534770456.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCC[NH+](C)[C@@H]1CCC[N@H+](CCC=C)CC1 ZINC000338568821 534770460 /nfs/dbraw/zinc/77/04/60/534770460.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCC[NH+](C)[C@@H]1CCC[N@@H+](CCC=C)CC1 ZINC000338568821 534770464 /nfs/dbraw/zinc/77/04/64/534770464.db2.gz GUEDEUMHJSWIAK-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCCC[N@H+](CC)Cc1cnc(C)n1C ZINC000898244371 584099761 /nfs/dbraw/zinc/09/97/61/584099761.db2.gz IFGYAIFHWKJCGU-UHFFFAOYSA-N 2 1 221.348 2.517 20 30 BFEDMP C[N@@H+](CC1CCC(C#N)CC1)C1CCC([NH3+])CC1 ZINC000903425036 584765410 /nfs/dbraw/zinc/76/54/10/584765410.db2.gz PDDWLFSPFYTCFA-UHFFFAOYSA-N 2 1 249.402 2.518 20 30 BFEDMP C=C(Cl)C[N@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812633 584803441 /nfs/dbraw/zinc/80/34/41/584803441.db2.gz VDRFXRIXHJIKCX-LBPRGKRZSA-N 2 1 242.794 2.722 20 30 BFEDMP C=C(Cl)C[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903812633 584803443 /nfs/dbraw/zinc/80/34/43/584803443.db2.gz VDRFXRIXHJIKCX-LBPRGKRZSA-N 2 1 242.794 2.722 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903914043 584822599 /nfs/dbraw/zinc/82/25/99/584822599.db2.gz SXKZWJGIIBYAIB-JALIKCBVSA-N 2 1 234.387 2.558 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCCC(C)C ZINC000815652406 586690701 /nfs/dbraw/zinc/69/07/01/586690701.db2.gz BGAZQFNVQLZLAE-HNNXBMFYSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCCC(C)C ZINC000815652406 586690703 /nfs/dbraw/zinc/69/07/03/586690703.db2.gz BGAZQFNVQLZLAE-HNNXBMFYSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000817932987 586841437 /nfs/dbraw/zinc/84/14/37/586841437.db2.gz YUGYDPLWVBKQMF-ZIAGYGMSSA-N 2 1 224.392 2.711 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000820846487 587076973 /nfs/dbraw/zinc/07/69/73/587076973.db2.gz GKSUKRVCRWXKMX-JKSUJKDBSA-N 2 1 248.414 2.524 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@@H]1C ZINC000820846487 587076974 /nfs/dbraw/zinc/07/69/74/587076974.db2.gz GKSUKRVCRWXKMX-JKSUJKDBSA-N 2 1 248.414 2.524 20 30 BFEDMP CCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000863539570 589296554 /nfs/dbraw/zinc/29/65/54/589296554.db2.gz FFAWZJNDMQNHJR-QWHCGFSZSA-N 2 1 212.381 2.544 20 30 BFEDMP CCCCCCC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000118855034 589200488 /nfs/dbraw/zinc/20/04/88/589200488.db2.gz NAJHNCAJVCZROS-UHFFFAOYSA-N 2 1 214.397 2.874 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122158749 589557756 /nfs/dbraw/zinc/55/77/56/589557756.db2.gz VXBWXVOTDKZRHS-KGLIPLIRSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000122158749 589557757 /nfs/dbraw/zinc/55/77/57/589557757.db2.gz VXBWXVOTDKZRHS-KGLIPLIRSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000122371366 589585108 /nfs/dbraw/zinc/58/51/08/589585108.db2.gz XJAACNCGRNBKDO-QWHCGFSZSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CC(C)(C)CCC[NH2+]C1CC[NH+](C)CC1 ZINC000872102885 589871090 /nfs/dbraw/zinc/87/10/90/589871090.db2.gz UCTYBQPPTJOOQE-UHFFFAOYSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878157121 590509241 /nfs/dbraw/zinc/50/92/41/590509241.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157121 590509243 /nfs/dbraw/zinc/50/92/43/590509243.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157121 590509245 /nfs/dbraw/zinc/50/92/45/590509245.db2.gz VSVCDASGLUWEAW-HIFRSBDPSA-N 2 1 236.403 2.615 20 30 BFEDMP C#CCCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000878340321 590550886 /nfs/dbraw/zinc/55/08/86/590550886.db2.gz VNOGUUKNBYTAMZ-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP C#CCCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000878340321 590550888 /nfs/dbraw/zinc/55/08/88/590550888.db2.gz VNOGUUKNBYTAMZ-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572369 590811354 /nfs/dbraw/zinc/81/13/54/590811354.db2.gz GQNBQAUGQBKNAP-HUUCEWRRSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879572369 590811358 /nfs/dbraw/zinc/81/13/58/590811358.db2.gz GQNBQAUGQBKNAP-HUUCEWRRSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879572369 590811361 /nfs/dbraw/zinc/81/13/61/590811361.db2.gz GQNBQAUGQBKNAP-HUUCEWRRSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572369 590811365 /nfs/dbraw/zinc/81/13/65/590811365.db2.gz GQNBQAUGQBKNAP-HUUCEWRRSA-N 2 1 238.419 2.983 20 30 BFEDMP C#CCCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517343 591083915 /nfs/dbraw/zinc/08/39/15/591083915.db2.gz NNEYYRCWPXYARM-UHFFFAOYSA-N 2 1 236.403 2.598 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H](C)[C@H]([NH3+])C1 ZINC000300046827 592501404 /nfs/dbraw/zinc/50/14/04/592501404.db2.gz AIVCQZCVHTZZIA-CHWSQXEVSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1C/C=C/C[N@@H+]1CC[C@@H]1CC=C ZINC000934460560 631847393 /nfs/dbraw/zinc/84/73/93/631847393.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1C/C=C/C[NH+]1CC[C@@H]1CC=C ZINC000934460560 631847394 /nfs/dbraw/zinc/84/73/94/631847394.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1C/C=C/C[NH+]1CC[C@@H]1CC=C ZINC000934460560 631847398 /nfs/dbraw/zinc/84/73/98/631847398.db2.gz QKURHOQXYWTULU-AXHPFZFWSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000934460269 631854838 /nfs/dbraw/zinc/85/48/38/631854838.db2.gz KQFFTQMMPDZNPV-CQSZACIVSA-N 2 1 233.359 2.622 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000934460269 631854844 /nfs/dbraw/zinc/85/48/44/631854844.db2.gz KQFFTQMMPDZNPV-CQSZACIVSA-N 2 1 233.359 2.622 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000303620661 635932222 /nfs/dbraw/zinc/93/22/22/635932222.db2.gz JJHIUSYHOVOCHP-AWEZNQCLSA-N 2 1 224.392 2.642 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000227054682 640811848 /nfs/dbraw/zinc/81/18/48/640811848.db2.gz JUFAVMQQOAZGDW-STQMWFEESA-N 2 1 212.381 2.626 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227054675 640811912 /nfs/dbraw/zinc/81/19/12/640811912.db2.gz JUFAVMQQOAZGDW-QWHCGFSZSA-N 2 1 212.381 2.626 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000228988620 640909545 /nfs/dbraw/zinc/90/95/45/640909545.db2.gz NLAUCWSWXOTRPO-KBPBESRZSA-N 2 1 226.408 2.874 20 30 BFEDMP C=CC[C@H]1CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000934469789 641164911 /nfs/dbraw/zinc/16/49/11/641164911.db2.gz GQSROVFAJRABKW-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@H]1CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000934469789 641164912 /nfs/dbraw/zinc/16/49/12/641164912.db2.gz GQSROVFAJRABKW-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@H]1CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000934469789 641164913 /nfs/dbraw/zinc/16/49/13/641164913.db2.gz GQSROVFAJRABKW-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000924617119 646079434 /nfs/dbraw/zinc/07/94/34/646079434.db2.gz IXGMVUQJCPTPOR-OLZOCXBDSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CCCC[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925655852 646395238 /nfs/dbraw/zinc/39/52/38/646395238.db2.gz WZFFCNPOYSNIKT-TZMCWYRMSA-N 2 1 218.344 2.631 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000715055917 712505253 /nfs/dbraw/zinc/50/52/53/712505253.db2.gz ZNZKNZVTDBHKDM-ZFWWWQNUSA-N 2 1 236.403 2.663 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000385560560 711014285 /nfs/dbraw/zinc/01/42/85/711014285.db2.gz ZLUZMSPYGWQWCO-HNNXBMFYSA-N 2 1 248.414 2.644 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC12CCCC2 ZINC000385560560 711014286 /nfs/dbraw/zinc/01/42/86/711014286.db2.gz ZLUZMSPYGWQWCO-HNNXBMFYSA-N 2 1 248.414 2.644 20 30 BFEDMP C=CCCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398058193 711400945 /nfs/dbraw/zinc/40/09/45/711400945.db2.gz FYLKVWQHNLAJIQ-FFHGMXDLSA-N 2 1 236.403 2.946 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](CC[NH3+])C1 ZINC000125531942 711761785 /nfs/dbraw/zinc/76/17/85/711761785.db2.gz OSSQORTWZATSSZ-CYBMUJFWSA-N 2 1 212.381 2.628 20 30 BFEDMP C=CC[C@@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000703671579 712083004 /nfs/dbraw/zinc/08/30/04/712083004.db2.gz ROHYYYRIMAHHKR-CQSZACIVSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705927855 712138384 /nfs/dbraw/zinc/13/83/84/712138384.db2.gz YWMRNFZDIVIGRN-WZYMTQMTSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205255524 967442926 /nfs/dbraw/zinc/44/29/26/967442926.db2.gz JVKCIHOQKHJFDZ-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=C(C)C[N@@H+](CC)CCC1CC[NH+](C)CC1 ZINC001207487328 968798953 /nfs/dbraw/zinc/79/89/53/968798953.db2.gz XZVXBOIOHSXQMG-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP CC[NH+](CC)CC[C@H](C)[NH2+]CC#CC(C)(C)C ZINC001255953311 970589072 /nfs/dbraw/zinc/58/90/72/970589072.db2.gz ZLYCEVWPOGCNNS-AWEZNQCLSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCC[C@@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccco1 ZINC001331836540 974831880 /nfs/dbraw/zinc/83/18/80/974831880.db2.gz XJNMNGHJQUTWQK-QWHCGFSZSA-N 2 1 236.359 2.875 20 30 BFEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574687 972870174 /nfs/dbraw/zinc/87/01/74/972870174.db2.gz IQKFCLACVXGDDS-KBPBESRZSA-N 2 1 237.391 2.520 20 30 BFEDMP C#CC(CC)(CC)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC001257202910 971124352 /nfs/dbraw/zinc/12/43/52/971124352.db2.gz QLFWHIIUGCZIFR-UHFFFAOYSA-N 2 1 236.403 2.641 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+](C)C[C@@H](C)C[NH3+])C[C@H](C1)C2 ZINC001257887534 971518092 /nfs/dbraw/zinc/51/80/92/971518092.db2.gz CNVWJLWIJIPSBS-RDGKXADDSA-N 2 1 236.403 2.648 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](N)[C@H](F)CC1 ZINC001206156941 974330383 /nfs/dbraw/zinc/33/03/83/974330383.db2.gz UPINLQUYDLYBJN-CHWSQXEVSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156941 974330394 /nfs/dbraw/zinc/33/03/94/974330394.db2.gz UPINLQUYDLYBJN-CHWSQXEVSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206156941 974330404 /nfs/dbraw/zinc/33/04/04/974330404.db2.gz UPINLQUYDLYBJN-CHWSQXEVSA-N 2 1 230.371 2.718 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC001210473177 957761413 /nfs/dbraw/zinc/76/14/13/957761413.db2.gz BIJGKKOXDDJZDH-CQSZACIVSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237745 972418760 /nfs/dbraw/zinc/41/87/60/972418760.db2.gz RYSXVTDGWCPUFX-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695840485 960512610 /nfs/dbraw/zinc/51/26/10/960512610.db2.gz BSVWLNMFQVUAGY-STQMWFEESA-N 2 1 239.407 2.635 20 30 BFEDMP C=CC[N@H+](C)[C@H](C)CCC[NH+](CC)CC ZINC001167837175 961214880 /nfs/dbraw/zinc/21/48/80/961214880.db2.gz IZKOSIUJGXLSLT-CYBMUJFWSA-N 2 1 212.381 2.615 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162394285 964951342 /nfs/dbraw/zinc/95/13/42/964951342.db2.gz OSPINZPSXSPPDU-KBPBESRZSA-N 2 1 245.370 2.800 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235978221 966190343 /nfs/dbraw/zinc/19/03/43/966190343.db2.gz JMBYZBFNZWEDQL-KGLIPLIRSA-N 2 1 222.376 2.546 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[NH+]2CC(C)(C[NH3+])C2)CC1 ZINC001206711495 966196476 /nfs/dbraw/zinc/19/64/76/966196476.db2.gz JIXWCCQNQOWGNI-CQSZACIVSA-N 2 1 234.387 2.570 20 30 BFEDMP C=CCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237205183 966647355 /nfs/dbraw/zinc/64/73/55/966647355.db2.gz WPIYBKSPBBFTAW-KGLIPLIRSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237205183 966647359 /nfs/dbraw/zinc/64/73/59/966647359.db2.gz WPIYBKSPBBFTAW-KGLIPLIRSA-N 2 1 224.392 2.935 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204938125 967245404 /nfs/dbraw/zinc/24/54/04/967245404.db2.gz JCAMDVUAAUAGOV-CYBMUJFWSA-N 2 1 212.381 2.770 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@](C)([NH3+])C1 ZINC001204937827 967246057 /nfs/dbraw/zinc/24/60/57/967246057.db2.gz HBSLMLOPRIKXNY-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]CC[C@H]2C)CC1 ZINC001205325126 967543264 /nfs/dbraw/zinc/54/32/64/967543264.db2.gz JOPVAFCLTSOJFF-GDBMZVCRSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@@H]1C ZINC001205905267 967880234 /nfs/dbraw/zinc/88/02/34/967880234.db2.gz ZVWVVZMXKBOXTJ-KBPBESRZSA-N 2 1 224.392 2.792 20 30 BFEDMP C#CCCC[NH+]1CCCC[C@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209269413 969423256 /nfs/dbraw/zinc/42/32/56/969423256.db2.gz JPABPEJHHLYQAG-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@H]1C[C@@H]1CCC[NH+]1C ZINC001209269413 969423262 /nfs/dbraw/zinc/42/32/62/969423262.db2.gz JPABPEJHHLYQAG-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP C[C@H](CCCC#N)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246574688 972871839 /nfs/dbraw/zinc/87/18/39/972871839.db2.gz IQKFCLACVXGDDS-KGLIPLIRSA-N 2 1 237.391 2.520 20 30 BFEDMP CCC[NH+](CCC)CC[NH2+][C@@H](C)CCCC#N ZINC001172480238 974778756 /nfs/dbraw/zinc/77/87/56/974778756.db2.gz MYVMXWFPRWIUMW-AWEZNQCLSA-N 2 1 239.407 2.780 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172489214 974834582 /nfs/dbraw/zinc/83/45/82/974834582.db2.gz PAMPHIMGEIFIDX-UONOGXRCSA-N 2 1 249.402 2.675 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172489214 974834583 /nfs/dbraw/zinc/83/45/83/974834583.db2.gz PAMPHIMGEIFIDX-UONOGXRCSA-N 2 1 249.402 2.675 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001206293158 978292755 /nfs/dbraw/zinc/29/27/55/978292755.db2.gz GNQWTHUSFGWKRB-CQSZACIVSA-N 2 1 224.392 2.794 20 30 BFEDMP CCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005432 978951024 /nfs/dbraw/zinc/95/10/24/978951024.db2.gz HKOFTSJRXHOWKI-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235005432 978951026 /nfs/dbraw/zinc/95/10/26/978951026.db2.gz HKOFTSJRXHOWKI-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110839 978973056 /nfs/dbraw/zinc/97/30/56/978973056.db2.gz MZXCMRNELVXDQK-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC001235110839 978973060 /nfs/dbraw/zinc/97/30/60/978973060.db2.gz MZXCMRNELVXDQK-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@]12CCC[NH2+]C2 ZINC001235172195 978989951 /nfs/dbraw/zinc/98/99/51/978989951.db2.gz KQYUQPZHHCZFNS-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CCCCCCCCC[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210887 978998302 /nfs/dbraw/zinc/99/83/02/978998302.db2.gz PMQYHGCRACHVKK-WDNDVIMCSA-N 2 1 224.392 2.626 20 30 BFEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283837 979018383 /nfs/dbraw/zinc/01/83/83/979018383.db2.gz GZJDVKKVEZRTAQ-QDMKHBRRSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC001235930998 979211630 /nfs/dbraw/zinc/21/16/30/979211630.db2.gz ZFNUETVQPJDQEO-GJZGRUSLSA-N 2 1 236.403 2.664 20 30 BFEDMP C#C[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCCCC2)C1 ZINC001235946749 979216991 /nfs/dbraw/zinc/21/69/91/979216991.db2.gz RNYDCYKPBOKDSM-OAHLLOKOSA-N 2 1 248.414 2.644 20 30 BFEDMP C=CCCCC[N@@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001236084947 979369272 /nfs/dbraw/zinc/36/92/72/979369272.db2.gz HOCXUEQBYZOZNP-MRXNPFEDSA-N 2 1 246.398 2.845 20 30 BFEDMP C=CCCCC[N@H+](C)C[C@H]([NH3+])Cc1ccccc1 ZINC001236084947 979369280 /nfs/dbraw/zinc/36/92/80/979369280.db2.gz HOCXUEQBYZOZNP-MRXNPFEDSA-N 2 1 246.398 2.845 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000300224069 984284017 /nfs/dbraw/zinc/28/40/17/984284017.db2.gz KSPPSWSAWPBYMM-ZIAGYGMSSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CC1 ZINC000688047045 985523143 /nfs/dbraw/zinc/52/31/43/985523143.db2.gz DKEJEWMKJVTFPB-UHFFFAOYSA-N 2 1 248.395 2.544 20 30 BFEDMP N#C[C@@H]1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638173 986686879 /nfs/dbraw/zinc/68/68/79/986686879.db2.gz XKAUWYZEJJWMLW-UKRRQHHQSA-N 2 1 249.402 2.662 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@@](C)([NH3+])C3)C[C@H](C1)C2 ZINC001246533032 987891864 /nfs/dbraw/zinc/89/18/64/987891864.db2.gz ZHEBICWCIPRCFZ-IZGVIRRGSA-N 2 1 234.387 2.544 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551126 987948509 /nfs/dbraw/zinc/94/85/09/987948509.db2.gz KUMZLKZYBLJHIU-OLZOCXBDSA-N 2 1 210.365 2.544 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001246573064 988070642 /nfs/dbraw/zinc/07/06/42/988070642.db2.gz YSOQYTDRBZJMJF-MELADBBJSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001246573120 988076167 /nfs/dbraw/zinc/07/61/67/988076167.db2.gz GGCIOMKCQLSECG-KBPBESRZSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611463 988239901 /nfs/dbraw/zinc/23/99/01/988239901.db2.gz TZTLVACDAJPUHC-ZIAGYGMSSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[C@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858697 988585992 /nfs/dbraw/zinc/58/59/92/988585992.db2.gz HUOYQHVWUVQPHN-MCAJLIOHSA-N 2 1 246.398 2.544 20 30 BFEDMP C=CC[N@@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548232 990971116 /nfs/dbraw/zinc/97/11/16/990971116.db2.gz AURCGDQJPYAQTM-UHFFFAOYSA-N 2 1 241.338 2.799 20 30 BFEDMP C=CC[N@H+](C)Cc1ccc(-n2cc[nH+]c2C)cc1 ZINC001138548232 990971124 /nfs/dbraw/zinc/97/11/24/990971124.db2.gz AURCGDQJPYAQTM-UHFFFAOYSA-N 2 1 241.338 2.799 20 30 BFEDMP C=CCC[C@@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258735852 991684444 /nfs/dbraw/zinc/68/44/44/991684444.db2.gz DIOIMRBIMPLYKY-CYBMUJFWSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001574907726 992942751 /nfs/dbraw/zinc/94/27/51/992942751.db2.gz ZLPDGLCYWQFQGX-KBPBESRZSA-N 2 1 222.376 2.546 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000381389711 993390747 /nfs/dbraw/zinc/39/07/47/993390747.db2.gz NBQUJRYOXWGHMO-IHRRRGAJSA-N 2 1 224.392 2.626 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000381389710 993391872 /nfs/dbraw/zinc/39/18/72/993391872.db2.gz NBQUJRYOXWGHMO-BFHYXJOUSA-N 2 1 224.392 2.626 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H]([NH3+])CC1 ZINC000382318717 993448133 /nfs/dbraw/zinc/44/81/33/993448133.db2.gz SLKUEQIZFALTLZ-ZDUSSCGKSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385282562 993653247 /nfs/dbraw/zinc/65/32/47/993653247.db2.gz WBPBWQXCTGQRCE-OLZOCXBDSA-N 2 1 212.381 2.768 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC000385282562 993653259 /nfs/dbraw/zinc/65/32/59/993653259.db2.gz WBPBWQXCTGQRCE-OLZOCXBDSA-N 2 1 212.381 2.768 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001577430085 993661300 /nfs/dbraw/zinc/66/13/00/993661300.db2.gz MXHYCLPEGDMXOP-UONOGXRCSA-N 2 1 224.392 2.770 20 30 BFEDMP C=C(C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423022026 398161895 /nfs/dbraw/zinc/16/18/95/398161895.db2.gz DLOKXJYIZVTKSQ-HOTGVXAUSA-N 2 1 244.382 2.949 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)C1CC1 ZINC000245954809 323007932 /nfs/dbraw/zinc/00/79/32/323007932.db2.gz QJLMPXHTBAPJIS-DZGCQCFKSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+]CCc1c[nH+]cn1C ZINC000530513152 342801461 /nfs/dbraw/zinc/80/14/61/342801461.db2.gz KMGORJYBZOADPF-ZDUSSCGKSA-N 2 1 235.375 2.687 20 30 BFEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602670215 349686904 /nfs/dbraw/zinc/68/69/04/349686904.db2.gz MOUUWYNGOOYYDJ-UONOGXRCSA-N 2 1 239.407 2.636 20 30 BFEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602670215 349686908 /nfs/dbraw/zinc/68/69/08/349686908.db2.gz MOUUWYNGOOYYDJ-UONOGXRCSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602721148 349713035 /nfs/dbraw/zinc/71/30/35/349713035.db2.gz HLQPKBBRXFMPQO-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@H](C)CCC#N ZINC000602721148 349713038 /nfs/dbraw/zinc/71/30/38/349713038.db2.gz HLQPKBBRXFMPQO-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309051177 346957134 /nfs/dbraw/zinc/95/71/34/346957134.db2.gz REYZKIILWJLVGD-CHWSQXEVSA-N 2 1 212.381 2.661 20 30 BFEDMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)(C)CCC#N ZINC000135174359 343963845 /nfs/dbraw/zinc/96/38/45/343963845.db2.gz ILSUOYNHWSNBGM-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP CC#CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062049 344708468 /nfs/dbraw/zinc/70/84/68/344708468.db2.gz DRDNOMFSQSNNST-UHFFFAOYSA-N 2 1 244.382 2.593 20 30 BFEDMP C#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158849057 345377410 /nfs/dbraw/zinc/37/74/10/345377410.db2.gz SFCIXZZTMLSEQY-OAHLLOKOSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310517455 347291605 /nfs/dbraw/zinc/29/16/05/347291605.db2.gz VSZSOJYZPQIGBT-STQMWFEESA-N 2 1 224.392 2.661 20 30 BFEDMP C=CCCC[N@@H+]1C[C@H](C[NH3+])[C@@H](c2ccccc2)C1 ZINC000337085317 350555533 /nfs/dbraw/zinc/55/55/33/350555533.db2.gz ZHPMSEZZRKLDIV-JKSUJKDBSA-N 2 1 244.382 2.627 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000120331829 323981838 /nfs/dbraw/zinc/98/18/38/323981838.db2.gz TYIYYDGVUWTHQD-GJZGRUSLSA-N 2 1 236.403 2.661 20 30 BFEDMP CC[N@H+](CC[NH2+]CC(C)(C)CCC#N)C(C)C ZINC000343913051 354039853 /nfs/dbraw/zinc/03/98/53/354039853.db2.gz NCDIZNMUTYNMNH-UHFFFAOYSA-N 2 1 239.407 2.636 20 30 BFEDMP CC[N@@H+](CC[NH2+]CC(C)(C)CCC#N)C(C)C ZINC000343913051 354039854 /nfs/dbraw/zinc/03/98/54/354039854.db2.gz NCDIZNMUTYNMNH-UHFFFAOYSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)C[C@H]1CCC[NH2+]C1 ZINC000346844887 355135875 /nfs/dbraw/zinc/13/58/75/355135875.db2.gz MCDYGLJNHPOZPX-INIZCTEOSA-N 2 1 244.382 2.674 20 30 BFEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000352016615 134036752 /nfs/dbraw/zinc/03/67/52/134036752.db2.gz YOPCLZSZUGBOKB-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000352016615 134036753 /nfs/dbraw/zinc/03/67/53/134036753.db2.gz YOPCLZSZUGBOKB-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000352016615 134036754 /nfs/dbraw/zinc/03/67/54/134036754.db2.gz YOPCLZSZUGBOKB-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(C#N)c1 ZINC000049554337 356480207 /nfs/dbraw/zinc/48/02/07/356480207.db2.gz PMJCZOGRLNBUNI-QWHCGFSZSA-N 2 1 245.370 2.549 20 30 BFEDMP C=CCCCCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000300224466 356487880 /nfs/dbraw/zinc/48/78/80/356487880.db2.gz NNNBTAVBLCMJIW-KGLIPLIRSA-N 2 1 224.392 2.663 20 30 BFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167752495 134153572 /nfs/dbraw/zinc/15/35/72/134153572.db2.gz SQJVASBEZMCVJF-NEPJUHHUSA-N 2 1 230.783 2.639 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000167752396 134153842 /nfs/dbraw/zinc/15/38/42/134153842.db2.gz SQJVASBEZMCVJF-RYUDHWBXSA-N 2 1 230.783 2.639 20 30 BFEDMP CC(C)[N@@H+](C)CCC[NH2+]CC(C)(C)CCC#N ZINC000230639750 357542991 /nfs/dbraw/zinc/54/29/91/357542991.db2.gz LDNWIMJVPBPUDX-UHFFFAOYSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(CC)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639983534 358026063 /nfs/dbraw/zinc/02/60/63/358026063.db2.gz HZWNFTWRHBKAAG-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CC[NH+]1CCC(C[N@H+](C)CCCC)CC1 ZINC000052209171 358776538 /nfs/dbraw/zinc/77/65/38/358776538.db2.gz JSWYYNJMZTVSTO-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862263 358809135 /nfs/dbraw/zinc/80/91/35/358809135.db2.gz HZSIWKAWFBOODQ-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862263 358809139 /nfs/dbraw/zinc/80/91/39/358809139.db2.gz HZSIWKAWFBOODQ-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862263 358809142 /nfs/dbraw/zinc/80/91/42/358809142.db2.gz HZSIWKAWFBOODQ-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CC[N@H+](CCC[NH2+]C)CC1CCCCC1 ZINC000435886599 201295267 /nfs/dbraw/zinc/29/52/67/201295267.db2.gz ZLLQHJOFPDOIOI-UHFFFAOYSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122208 371323555 /nfs/dbraw/zinc/32/35/55/371323555.db2.gz MERPKMSJODHBGS-UONOGXRCSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336654407 206018735 /nfs/dbraw/zinc/01/87/35/206018735.db2.gz HFEJWEURHGBSGE-UONOGXRCSA-N 2 1 236.403 2.805 20 30 BFEDMP C#CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000374429711 533050199 /nfs/dbraw/zinc/05/01/99/533050199.db2.gz PWUSGXIHNPSUHB-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000374429711 533050202 /nfs/dbraw/zinc/05/02/02/533050202.db2.gz PWUSGXIHNPSUHB-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000374429711 533050206 /nfs/dbraw/zinc/05/02/06/533050206.db2.gz PWUSGXIHNPSUHB-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374429710 533050679 /nfs/dbraw/zinc/05/06/79/533050679.db2.gz PWUSGXIHNPSUHB-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000374429710 533050681 /nfs/dbraw/zinc/05/06/81/533050681.db2.gz PWUSGXIHNPSUHB-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000374429710 533050685 /nfs/dbraw/zinc/05/06/85/533050685.db2.gz PWUSGXIHNPSUHB-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041269 384265349 /nfs/dbraw/zinc/26/53/49/384265349.db2.gz NZIHGCKHTHDMJN-IMJJTQAJSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735380 384659986 /nfs/dbraw/zinc/65/99/86/384659986.db2.gz MAVANIREHCQGHV-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154735380 384659995 /nfs/dbraw/zinc/65/99/95/384659995.db2.gz MAVANIREHCQGHV-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000336672225 384845980 /nfs/dbraw/zinc/84/59/80/384845980.db2.gz AFAUOLMLGVWONL-KGLIPLIRSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000336672225 384845988 /nfs/dbraw/zinc/84/59/88/384845988.db2.gz AFAUOLMLGVWONL-KGLIPLIRSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000340430521 385061598 /nfs/dbraw/zinc/06/15/98/385061598.db2.gz XPZIIEPMIZWHEM-QWHCGFSZSA-N 2 1 224.392 2.519 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527733585 387682394 /nfs/dbraw/zinc/68/23/94/387682394.db2.gz DGBFAZJTGLAWNI-KBPBESRZSA-N 2 1 236.403 2.805 20 30 BFEDMP CC[C@@H]1CCCC[N@@H+]1CCN[C@H]1CC[C@@H](C#N)C1 ZINC000442781912 387839782 /nfs/dbraw/zinc/83/97/82/387839782.db2.gz OXTUWYGOVJIDDR-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442653602 387814389 /nfs/dbraw/zinc/81/43/89/387814389.db2.gz RBEJXAKPHHHHOY-ILXRZTDVSA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442653610 387814611 /nfs/dbraw/zinc/81/46/11/387814611.db2.gz RBEJXAKPHHHHOY-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP C=C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000444624469 387892613 /nfs/dbraw/zinc/89/26/13/387892613.db2.gz LZHNHZBAEKCKCC-UHFFFAOYSA-N 2 1 222.376 2.514 20 30 BFEDMP C=CCCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423084345 387878856 /nfs/dbraw/zinc/87/88/56/387878856.db2.gz HSSMJYDZCUXQSK-HIFRSBDPSA-N 2 1 232.371 2.501 20 30 BFEDMP C=CCC1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423154294 387931694 /nfs/dbraw/zinc/93/16/94/387931694.db2.gz JJKVINBIJNDGTB-KBPBESRZSA-N 2 1 236.403 2.711 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CCCC ZINC000423294890 388076996 /nfs/dbraw/zinc/07/69/96/388076996.db2.gz DCGAPGCGLUHGTQ-XQQFMLRXSA-N 2 1 212.381 2.694 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])CCCC ZINC000423297698 388079888 /nfs/dbraw/zinc/07/98/88/388079888.db2.gz LLIFGTVMJFKYEX-CHWSQXEVSA-N 2 1 212.381 2.838 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423267201 388045972 /nfs/dbraw/zinc/04/59/72/388045972.db2.gz SXDBMXDVDVMTSI-XQQFMLRXSA-N 2 1 212.381 2.550 20 30 BFEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423262224 388689135 /nfs/dbraw/zinc/68/91/35/388689135.db2.gz MBCZXKHOAXKOCU-IUODEOHRSA-N 2 1 245.370 2.582 20 30 BFEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423299120 388691163 /nfs/dbraw/zinc/69/11/63/388691163.db2.gz PHSJBWHEQJHMAO-SWLSCSKDSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554883052 388834534 /nfs/dbraw/zinc/83/45/34/388834534.db2.gz TYLGLPYNFDKUBT-KKUMJFAQSA-N 2 1 238.419 2.907 20 30 BFEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000352016617 533485217 /nfs/dbraw/zinc/48/52/17/533485217.db2.gz YOPCLZSZUGBOKB-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000352016617 533485221 /nfs/dbraw/zinc/48/52/21/533485221.db2.gz YOPCLZSZUGBOKB-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000352016617 533485224 /nfs/dbraw/zinc/48/52/24/533485224.db2.gz YOPCLZSZUGBOKB-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CC1 ZINC000368446472 134218461 /nfs/dbraw/zinc/21/84/61/134218461.db2.gz XHZHXPAMZWMQMP-OAGGEKHMSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338568849 135041413 /nfs/dbraw/zinc/04/14/13/135041413.db2.gz AEPYZDMXPGYUML-ZIAGYGMSSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[NH+](C)CC(C)C[N@@H+](C)CCC=C ZINC000276461153 166257059 /nfs/dbraw/zinc/25/70/59/166257059.db2.gz QQISQZPZVNOWGG-UHFFFAOYSA-N 2 1 224.392 2.638 20 30 BFEDMP C=CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338562085 166263547 /nfs/dbraw/zinc/26/35/47/166263547.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562085 166263550 /nfs/dbraw/zinc/26/35/50/166263550.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338562085 166263552 /nfs/dbraw/zinc/26/35/52/166263552.db2.gz ARZLVZZTTCPESX-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[C@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000269590450 166301275 /nfs/dbraw/zinc/30/12/75/166301275.db2.gz CCZHZDCYTAHRQS-AWEZNQCLSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000651667775 411134277 /nfs/dbraw/zinc/13/42/77/411134277.db2.gz QZIYKZOPXCZRFI-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000651725674 411139038 /nfs/dbraw/zinc/13/90/38/411139038.db2.gz MBXIAOKBOMCQOB-APIJFGDWSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000651725674 411139039 /nfs/dbraw/zinc/13/90/39/411139039.db2.gz MBXIAOKBOMCQOB-APIJFGDWSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000651748687 411141118 /nfs/dbraw/zinc/14/11/18/411141118.db2.gz UNVYQLTWLSXIMX-UKRRQHHQSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661303 411613853 /nfs/dbraw/zinc/61/38/53/411613853.db2.gz CFKDLDFQMIMFMJ-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661303 411613855 /nfs/dbraw/zinc/61/38/55/411613855.db2.gz CFKDLDFQMIMFMJ-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661303 411613857 /nfs/dbraw/zinc/61/38/57/411613857.db2.gz CFKDLDFQMIMFMJ-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCC1([NH2+]CCCc2c[nH+]cn2C)CCCC1 ZINC000661850732 411900680 /nfs/dbraw/zinc/90/06/80/411900680.db2.gz NQIHUHCNXHKPFW-UHFFFAOYSA-N 2 1 247.386 2.831 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)C(C)(C)C)CC1 ZINC000670266905 487874178 /nfs/dbraw/zinc/87/41/78/487874178.db2.gz GPSGJIRIPKODQD-CYBMUJFWSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000562533356 323023232 /nfs/dbraw/zinc/02/32/32/323023232.db2.gz NLPVXFCGKDLHHH-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000349564164 488132796 /nfs/dbraw/zinc/13/27/96/488132796.db2.gz KEYMRJUVPPXGLK-UHFFFAOYSA-N 2 1 233.359 2.594 20 30 BFEDMP C=C(CC)C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000358501910 534383157 /nfs/dbraw/zinc/38/31/57/534383157.db2.gz UNZKOLZOBDGIGD-UHFFFAOYSA-N 2 1 247.386 2.641 20 30 BFEDMP C=C(CC)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000358502018 534387038 /nfs/dbraw/zinc/38/70/38/534387038.db2.gz UPCLJMYYQDQNHT-HNNXBMFYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000340422397 534553161 /nfs/dbraw/zinc/55/31/61/534553161.db2.gz AIVUSUAGHPSLPO-ZIAGYGMSSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000340422393 534554568 /nfs/dbraw/zinc/55/45/68/534554568.db2.gz AIVUSUAGHPSLPO-KGLIPLIRSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@H](C)C[NH2+]C ZINC000854231065 588780788 /nfs/dbraw/zinc/78/07/88/588780788.db2.gz DANSAOZRCOWNAA-QWHCGFSZSA-N 2 1 212.381 2.709 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407841 584574938 /nfs/dbraw/zinc/57/49/38/584574938.db2.gz WHVOJIURNSOOGM-LBPRGKRZSA-N 2 1 210.365 2.592 20 30 BFEDMP C=CC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903177704 584733264 /nfs/dbraw/zinc/73/32/64/584733264.db2.gz AAWGGGYHXLDFBQ-LQDVMPOASA-N 2 1 248.414 2.946 20 30 BFEDMP C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716546 584791696 /nfs/dbraw/zinc/79/16/96/584791696.db2.gz OSSLPZTYKPOBQZ-UONOGXRCSA-N 2 1 249.402 2.520 20 30 BFEDMP C=CCCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903815007 584800919 /nfs/dbraw/zinc/80/09/19/584800919.db2.gz PBOYAMRLGYYHKH-AWEZNQCLSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903814039 584803265 /nfs/dbraw/zinc/80/32/65/584803265.db2.gz JFVYOMFJAVOJMP-CYBMUJFWSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@H]1CCCC[NH2+]C1 ZINC000903850419 584808059 /nfs/dbraw/zinc/80/80/59/584808059.db2.gz QIPUFJSCCWQTJB-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CC[N@H+](C[C@H]1C[C@@H]([NH3+])C1)CC1CCCCC1 ZINC000904320270 584863924 /nfs/dbraw/zinc/86/39/24/584863924.db2.gz GEJVUCGPXSQYSS-GASCZTMLSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CC[C@@H]1[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCC1(C)C ZINC000904348965 584868731 /nfs/dbraw/zinc/86/87/31/584868731.db2.gz XYGCJYZBTSKNIU-MJBXVCDLSA-N 2 1 236.403 2.790 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCCC(C)C ZINC000815652407 586690736 /nfs/dbraw/zinc/69/07/36/586690736.db2.gz BGAZQFNVQLZLAE-OAHLLOKOSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCCC(C)C ZINC000815652407 586690738 /nfs/dbraw/zinc/69/07/38/586690738.db2.gz BGAZQFNVQLZLAE-OAHLLOKOSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817941487 586845285 /nfs/dbraw/zinc/84/52/85/586845285.db2.gz QXLHSEVLWGQNRG-KBPBESRZSA-N 2 1 224.392 2.853 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000820846386 587077152 /nfs/dbraw/zinc/07/71/52/587077152.db2.gz GKSUKRVCRWXKMX-CVEARBPZSA-N 2 1 248.414 2.524 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@H]1C ZINC000820846386 587077154 /nfs/dbraw/zinc/07/71/54/587077154.db2.gz GKSUKRVCRWXKMX-CVEARBPZSA-N 2 1 248.414 2.524 20 30 BFEDMP CCCCCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000842475306 588029540 /nfs/dbraw/zinc/02/95/40/588029540.db2.gz MYOWBMKBHWJAAV-GFCCVEGCSA-N 2 1 214.397 2.920 20 30 BFEDMP CCCCCCC[N@@H+]1CCNC[C@](C)(F)C1 ZINC000843387392 588105513 /nfs/dbraw/zinc/10/55/13/588105513.db2.gz GRUQPLMOYVCSKP-ZDUSSCGKSA-N 2 1 230.371 2.590 20 30 BFEDMP CCCCCCC[N@H+]1CCNC[C@](C)(F)C1 ZINC000843387392 588105515 /nfs/dbraw/zinc/10/55/15/588105515.db2.gz GRUQPLMOYVCSKP-ZDUSSCGKSA-N 2 1 230.371 2.590 20 30 BFEDMP CCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000863539568 589296624 /nfs/dbraw/zinc/29/66/24/589296624.db2.gz FFAWZJNDMQNHJR-CHWSQXEVSA-N 2 1 212.381 2.544 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@H]1CCC[N@H+]1CC ZINC000876881967 590253125 /nfs/dbraw/zinc/25/31/25/590253125.db2.gz VIRICSUNNQAIFA-OAHLLOKOSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@H]1CCC[N@@H+]1CC ZINC000876881967 590253126 /nfs/dbraw/zinc/25/31/26/590253126.db2.gz VIRICSUNNQAIFA-OAHLLOKOSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000876940871 590259232 /nfs/dbraw/zinc/25/92/32/590259232.db2.gz ZKDDAJOAMVSDOA-JKSUJKDBSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738210 590405173 /nfs/dbraw/zinc/40/51/73/590405173.db2.gz APCPLTVOBMKFRQ-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738210 590405175 /nfs/dbraw/zinc/40/51/75/590405175.db2.gz APCPLTVOBMKFRQ-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738210 590405177 /nfs/dbraw/zinc/40/51/77/590405177.db2.gz APCPLTVOBMKFRQ-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000877738210 590405179 /nfs/dbraw/zinc/40/51/79/590405179.db2.gz APCPLTVOBMKFRQ-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000878287458 590534741 /nfs/dbraw/zinc/53/47/41/590534741.db2.gz CROCANUJJHLYMG-UHFFFAOYSA-N 2 1 247.386 2.707 20 30 BFEDMP C#CCCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000878287458 590534744 /nfs/dbraw/zinc/53/47/44/590534744.db2.gz CROCANUJJHLYMG-UHFFFAOYSA-N 2 1 247.386 2.707 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572368 590809132 /nfs/dbraw/zinc/80/91/32/590809132.db2.gz GQNBQAUGQBKNAP-GJZGRUSLSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572368 590809135 /nfs/dbraw/zinc/80/91/35/590809135.db2.gz GQNBQAUGQBKNAP-GJZGRUSLSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572368 590809137 /nfs/dbraw/zinc/80/91/37/590809137.db2.gz GQNBQAUGQBKNAP-GJZGRUSLSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572368 590809141 /nfs/dbraw/zinc/80/91/41/590809141.db2.gz GQNBQAUGQBKNAP-GJZGRUSLSA-N 2 1 238.419 2.983 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580458 590822666 /nfs/dbraw/zinc/82/26/66/590822666.db2.gz HXVYRTHFZVSQSN-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879580458 590822668 /nfs/dbraw/zinc/82/26/68/590822668.db2.gz HXVYRTHFZVSQSN-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580458 590822670 /nfs/dbraw/zinc/82/26/70/590822670.db2.gz HXVYRTHFZVSQSN-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879580458 590822673 /nfs/dbraw/zinc/82/26/73/590822673.db2.gz HXVYRTHFZVSQSN-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000883433684 591664474 /nfs/dbraw/zinc/66/44/74/591664474.db2.gz WTCSYBYXWUNXRP-BYCMXARLSA-N 2 1 248.345 2.517 20 30 BFEDMP C=CC[C@@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000883433684 591664477 /nfs/dbraw/zinc/66/44/77/591664477.db2.gz WTCSYBYXWUNXRP-BYCMXARLSA-N 2 1 248.345 2.517 20 30 BFEDMP C=C(C)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134944 592450029 /nfs/dbraw/zinc/45/00/29/592450029.db2.gz SUROYJWFEONIHZ-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000158149647 631827108 /nfs/dbraw/zinc/82/71/08/631827108.db2.gz RBMOKXTZFNNBSM-AWEZNQCLSA-N 2 1 226.408 2.840 20 30 BFEDMP C=CCCC[N@H+](CC)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000904474644 637425902 /nfs/dbraw/zinc/42/59/02/637425902.db2.gz WPUYFJZSJXTMOZ-GOOCMWNKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H]1CC[NH+]1CCC[N@@H+]1CC[C@@H]1CC=C ZINC000934461058 641152917 /nfs/dbraw/zinc/15/29/17/641152917.db2.gz PGRKVOQIEFWPIT-GJZGRUSLSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CCCC[N@H+](CC)CC[C@H]1CCC[NH+]1C ZINC000934646086 641232744 /nfs/dbraw/zinc/23/27/44/641232744.db2.gz HTQUEEZHOOGIPQ-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](CC)CC[C@H]1CCC[N@@H+]1C ZINC000934646086 641232747 /nfs/dbraw/zinc/23/27/47/641232747.db2.gz HTQUEEZHOOGIPQ-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](CC)CC[C@H]1CCC[N@H+]1C ZINC000934646086 641232753 /nfs/dbraw/zinc/23/27/53/641232753.db2.gz HTQUEEZHOOGIPQ-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000250806623 642873263 /nfs/dbraw/zinc/87/32/63/642873263.db2.gz FWIZURZHNFLWNO-CHWSQXEVSA-N 2 1 212.381 2.768 20 30 BFEDMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924617120 646078429 /nfs/dbraw/zinc/07/84/29/646078429.db2.gz IXGMVUQJCPTPOR-QWHCGFSZSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925599622 646352898 /nfs/dbraw/zinc/35/28/98/646352898.db2.gz AVYVNNMDMCOANF-SGMGOOAPSA-N 2 1 218.344 2.629 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925784264 646480956 /nfs/dbraw/zinc/48/09/56/646480956.db2.gz ILWRRSNZVVLLPT-RDBSUJKOSA-N 2 1 248.370 2.732 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000715055911 712505401 /nfs/dbraw/zinc/50/54/01/712505401.db2.gz ZNZKNZVTDBHKDM-DZGCQCFKSA-N 2 1 236.403 2.663 20 30 BFEDMP CCCCCCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385202193 711006731 /nfs/dbraw/zinc/00/67/31/711006731.db2.gz HKOFTSJRXHOWKI-KGLIPLIRSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385202193 711006735 /nfs/dbraw/zinc/00/67/35/711006735.db2.gz HKOFTSJRXHOWKI-KGLIPLIRSA-N 2 1 224.392 2.641 20 30 BFEDMP C[N@@H+](CCCCCC[NH3+])Cc1ccc(C#N)cc1 ZINC000710766794 712256608 /nfs/dbraw/zinc/25/66/08/712256608.db2.gz QKQFGZIGKNLMSE-UHFFFAOYSA-N 2 1 245.370 2.509 20 30 BFEDMP C=CC[N@H+](CC(C)(C)C[NH+](C)C)C(C)(C)C ZINC001207288381 968718300 /nfs/dbraw/zinc/71/83/00/968718300.db2.gz MZMDQKIIPNPIIE-UHFFFAOYSA-N 2 1 226.408 2.861 20 30 BFEDMP C=CCCCCC[N@H+]1C[C@H]2[C@H](C1)CCCN2C ZINC001209432447 969502669 /nfs/dbraw/zinc/50/26/69/969502669.db2.gz FGXYXPBLRYJZCK-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]([C@@H]1CCC[N@@H+](C)CC1)C(C)(C)C ZINC001254531742 969734480 /nfs/dbraw/zinc/73/44/80/969734480.db2.gz KZMDSRFBPUMBGB-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[NH+]([C@@H]1CCC[N@H+](C)CC1)C(C)(C)C ZINC001254531742 969734490 /nfs/dbraw/zinc/73/44/90/969734490.db2.gz KZMDSRFBPUMBGB-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@@H+]([C@@H]1CCC[NH+](C)CC1)C(C)(C)C ZINC001254531742 969734494 /nfs/dbraw/zinc/73/44/94/969734494.db2.gz KZMDSRFBPUMBGB-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@H+]([C@@H]1CCC[NH+](C)CC1)C(C)(C)C ZINC001254531742 969734504 /nfs/dbraw/zinc/73/45/04/969734504.db2.gz KZMDSRFBPUMBGB-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C#C[C@@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256573418 970868764 /nfs/dbraw/zinc/86/87/64/970868764.db2.gz IORIKFWIAVUZCF-CQSZACIVSA-N 2 1 248.414 2.595 20 30 BFEDMP CCCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC000403290165 970899509 /nfs/dbraw/zinc/89/95/09/970899509.db2.gz VZOSXSPIJXDUNN-LBPRGKRZSA-N 2 1 248.361 2.873 20 30 BFEDMP C=CCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256905919 971021556 /nfs/dbraw/zinc/02/15/56/971021556.db2.gz VZBJUKIOFJTTMY-CQSZACIVSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905919 971021564 /nfs/dbraw/zinc/02/15/64/971021564.db2.gz VZBJUKIOFJTTMY-CQSZACIVSA-N 2 1 236.403 2.949 20 30 BFEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695844109 960513276 /nfs/dbraw/zinc/51/32/76/960513276.db2.gz UJLRGRZYZVGSRX-OLZOCXBDSA-N 2 1 239.407 2.633 20 30 BFEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695844109 960513292 /nfs/dbraw/zinc/51/32/92/960513292.db2.gz UJLRGRZYZVGSRX-OLZOCXBDSA-N 2 1 239.407 2.633 20 30 BFEDMP C=C(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167961057 962870339 /nfs/dbraw/zinc/87/03/39/962870339.db2.gz DWIATYIRVHRKOI-GOOCMWNKSA-N 2 1 234.387 2.558 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1NC[C@H]1C[NH2+][C@H](C)C1 ZINC001162552489 965045391 /nfs/dbraw/zinc/04/53/91/965045391.db2.gz IZDXUYRGVVKGLN-CHWSQXEVSA-N 2 1 245.370 2.528 20 30 BFEDMP C=CCCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122516 966006587 /nfs/dbraw/zinc/00/65/87/966006587.db2.gz GRYBTLIVUDIYIB-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235122516 966006591 /nfs/dbraw/zinc/00/65/91/966006591.db2.gz GRYBTLIVUDIYIB-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269725 968185797 /nfs/dbraw/zinc/18/57/97/968185797.db2.gz SXPMXXJNYFSMBZ-GDBMZVCRSA-N 2 1 248.414 2.830 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]C[C@@H](C)C2)CC1 ZINC001206269725 968185805 /nfs/dbraw/zinc/18/58/05/968185805.db2.gz SXPMXXJNYFSMBZ-GDBMZVCRSA-N 2 1 248.414 2.830 20 30 BFEDMP C=CCCC[N@H+](CCC)CCC[NH+](C)C ZINC001209163260 969365235 /nfs/dbraw/zinc/36/52/35/969365235.db2.gz AGRRSUYJOACYML-UHFFFAOYSA-N 2 1 212.381 2.616 20 30 BFEDMP C=CCCCC[N@H+](CC)CCC[NH+](C)C ZINC001209206821 969385230 /nfs/dbraw/zinc/38/52/30/969385230.db2.gz BLFPPJCAFJPNGQ-UHFFFAOYSA-N 2 1 212.381 2.616 20 30 BFEDMP CCN1CCC([N@@H+](CCC#N)C2CCCC2)CC1 ZINC001169255985 969544314 /nfs/dbraw/zinc/54/43/14/969544314.db2.gz XDEDBUBVTRZFQV-UHFFFAOYSA-N 2 1 249.402 2.629 20 30 BFEDMP C=CCCCC[N@H+](C)[C@H]1CCC[NH+](C)CC1 ZINC001254530368 969731533 /nfs/dbraw/zinc/73/15/33/969731533.db2.gz WROMIBUSEAGGIM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CCC[N@H+](C)CC1 ZINC001254530368 969731541 /nfs/dbraw/zinc/73/15/41/969731541.db2.gz WROMIBUSEAGGIM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CCC[N@@H+](C)CC1 ZINC001254530368 969731553 /nfs/dbraw/zinc/73/15/53/969731553.db2.gz WROMIBUSEAGGIM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP CC[C@H](CC#N)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC001255152787 969955576 /nfs/dbraw/zinc/95/55/76/969955576.db2.gz BRWPODUEIPNDMC-OAHLLOKOSA-N 2 1 245.370 2.530 20 30 BFEDMP C=CC[NH+](CC=C)[C@H](C)CC[NH+](CC)CC ZINC001255963507 970604023 /nfs/dbraw/zinc/60/40/23/970604023.db2.gz HTKUTRAMUDFHAH-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C[C@@H](CCCC#N)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172481299 974781860 /nfs/dbraw/zinc/78/18/60/974781860.db2.gz SGQYRHHXIGKCQI-AWEZNQCLSA-N 2 1 245.370 2.530 20 30 BFEDMP C[C@@H](CCCC#N)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172481299 974781862 /nfs/dbraw/zinc/78/18/62/974781862.db2.gz SGQYRHHXIGKCQI-AWEZNQCLSA-N 2 1 245.370 2.530 20 30 BFEDMP C=CCC[C@@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccco1 ZINC001331836538 974833488 /nfs/dbraw/zinc/83/34/88/974833488.db2.gz XJNMNGHJQUTWQK-CHWSQXEVSA-N 2 1 236.359 2.875 20 30 BFEDMP C[C@@H](CCCC#N)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172499561 974851533 /nfs/dbraw/zinc/85/15/33/974851533.db2.gz YHNBMICHOAXGFG-LBPRGKRZSA-N 2 1 246.358 2.605 20 30 BFEDMP CCC[N@@H+](CCC[NH3+])C1CCC(C)(C#N)CC1 ZINC001173584991 975424260 /nfs/dbraw/zinc/42/42/60/975424260.db2.gz VMHQMXIQHRROFB-UHFFFAOYSA-N 2 1 237.391 2.520 20 30 BFEDMP C=CCCCCCCCC[N@@H+]1CC[C@H](N)C1 ZINC001235361549 979034406 /nfs/dbraw/zinc/03/44/06/979034406.db2.gz HEAQHPMNLRUSTG-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC001235361549 979034411 /nfs/dbraw/zinc/03/44/11/979034411.db2.gz HEAQHPMNLRUSTG-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001235361549 979034418 /nfs/dbraw/zinc/03/44/18/979034418.db2.gz HEAQHPMNLRUSTG-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H](C[NH3+])C2)CC1 ZINC001235673576 979111901 /nfs/dbraw/zinc/11/19/01/979111901.db2.gz OQRJWJYHIKJETH-HZPDHXFCSA-N 2 1 248.414 2.960 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)C[C@H]([NH3+])C2)CC1 ZINC001236045545 979334887 /nfs/dbraw/zinc/33/48/87/979334887.db2.gz VUANLPHJWDQKCF-BMFZPTHFSA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)C[C@H]([NH3+])C2)CC1 ZINC001236045545 979334898 /nfs/dbraw/zinc/33/48/98/979334898.db2.gz VUANLPHJWDQKCF-BMFZPTHFSA-N 2 1 248.414 2.958 20 30 BFEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191099561 980968678 /nfs/dbraw/zinc/96/86/78/980968678.db2.gz NZFCVSZZJGHTCD-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP CCC#C[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191099561 980968684 /nfs/dbraw/zinc/96/86/84/980968684.db2.gz NZFCVSZZJGHTCD-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C[NH+](C)[C@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001349607902 981592899 /nfs/dbraw/zinc/59/28/99/981592899.db2.gz FJWPGKNQEATWQE-CVSAEHQPSA-N 2 1 249.402 2.531 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001349607908 981592933 /nfs/dbraw/zinc/59/29/33/981592933.db2.gz FJWPGKNQEATWQE-PFSRBDOWSA-N 2 1 249.402 2.531 20 30 BFEDMP C=C1C[C@@H]2CC(n3c[nH+]cc3CC[NH3+])C[C@H](C1)C2 ZINC001257887437 985296988 /nfs/dbraw/zinc/29/69/88/985296988.db2.gz YARIYNPEIPZKFA-NNQSOWQGSA-N 2 1 245.370 2.692 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258718126 986044072 /nfs/dbraw/zinc/04/40/72/986044072.db2.gz HOUAJDZMIVDBTP-FQUUOJAGSA-N 2 1 222.376 2.556 20 30 BFEDMP C=CCC[C@@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258731255 986071110 /nfs/dbraw/zinc/07/11/10/986071110.db2.gz BWKNEGXEMFEGQG-GFCCVEGCSA-N 2 1 233.359 2.877 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610787 988237856 /nfs/dbraw/zinc/23/78/56/988237856.db2.gz NTGKAVZNMVQHST-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001246610785 988244666 /nfs/dbraw/zinc/24/46/66/988244666.db2.gz NTGKAVZNMVQHST-HUUCEWRRSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001246611462 988245031 /nfs/dbraw/zinc/24/50/31/988245031.db2.gz TZTLVACDAJPUHC-UONOGXRCSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CCC[N@@H+](Cc1ccccc1)C1CC[NH2+]CC1 ZINC001246785359 988460932 /nfs/dbraw/zinc/46/09/32/988460932.db2.gz AJKBQVHNFYKAIJ-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]4CC[C@@]4([NH3+])C3)C[C@H](C1)C2 ZINC001246858698 988594589 /nfs/dbraw/zinc/59/45/89/988594589.db2.gz HUOYQHVWUVQPHN-YSEJDXQZSA-N 2 1 246.398 2.544 20 30 BFEDMP C=CC[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)(C)C ZINC001246919729 988729908 /nfs/dbraw/zinc/72/99/08/988729908.db2.gz KFZCIPHZBUZMQC-FUNVUKJBSA-N 2 1 222.376 2.556 20 30 BFEDMP C=CCC[C@@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258732430 991675033 /nfs/dbraw/zinc/67/50/33/991675033.db2.gz LLQXFTGGIFCZIL-CYBMUJFWSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCC[C@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258735669 991683502 /nfs/dbraw/zinc/68/35/02/991683502.db2.gz YTUDNGYFXRRINM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C#CCCCCCC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC001574544630 992876340 /nfs/dbraw/zinc/87/63/40/992876340.db2.gz FUVFZQFDPOGTDV-CYBMUJFWSA-N 2 1 224.392 2.533 20 30 BFEDMP C[NH+](C)C1(C[NH2+]C2CCC(C#N)CC2)CCCC1 ZINC000602504826 349581991 /nfs/dbraw/zinc/58/19/91/349581991.db2.gz WNOBLBSHWGYRJW-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@@H](CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000602559132 349599292 /nfs/dbraw/zinc/59/92/92/349599292.db2.gz DDQPKSIZEQEOPM-AVOUXACISA-N 2 1 249.402 2.531 20 30 BFEDMP C=C(C)CC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000351759733 136252256 /nfs/dbraw/zinc/25/22/56/136252256.db2.gz SOWIGMCCEDHVBP-AWEZNQCLSA-N 2 1 247.386 2.641 20 30 BFEDMP CCC[N@H+](C)CC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602721149 349713154 /nfs/dbraw/zinc/71/31/54/349713154.db2.gz HLQPKBBRXFMPQO-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](C)CC(C)(C)[NH2+]C[C@@H](C)CCC#N ZINC000602721149 349713160 /nfs/dbraw/zinc/71/31/60/349713160.db2.gz HLQPKBBRXFMPQO-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CCCCCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000235704947 343059174 /nfs/dbraw/zinc/05/91/74/343059174.db2.gz NNNBTAVBLCMJIW-KBPBESRZSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCCCCN1CCC2(CCC[N@@H+]2C)CC1 ZINC000569795280 323040776 /nfs/dbraw/zinc/04/07/76/323040776.db2.gz ZPRUPVZMFZPGSW-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000569795280 323040777 /nfs/dbraw/zinc/04/07/77/323040777.db2.gz ZPRUPVZMFZPGSW-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000569795280 323040778 /nfs/dbraw/zinc/04/07/78/323040778.db2.gz ZPRUPVZMFZPGSW-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2C2CC2)CC1 ZINC000348115093 537839819 /nfs/dbraw/zinc/83/98/19/537839819.db2.gz GYTRRDTZRIOWTK-CVEARBPZSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358617046 344669704 /nfs/dbraw/zinc/66/97/04/344669704.db2.gz RKJRHYGIEAMBJQ-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000358617046 344669707 /nfs/dbraw/zinc/66/97/07/344669707.db2.gz RKJRHYGIEAMBJQ-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000358617046 344669708 /nfs/dbraw/zinc/66/97/08/344669708.db2.gz RKJRHYGIEAMBJQ-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000358617046 344669712 /nfs/dbraw/zinc/66/97/12/344669712.db2.gz RKJRHYGIEAMBJQ-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000635017488 345221717 /nfs/dbraw/zinc/22/17/17/345221717.db2.gz DMSADZJLNULGPG-QWHCGFSZSA-N 2 1 224.392 2.566 20 30 BFEDMP C=CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000363533762 345770633 /nfs/dbraw/zinc/77/06/33/345770633.db2.gz RAHNWYPNEWZBAJ-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000363533762 345770637 /nfs/dbraw/zinc/77/06/37/345770637.db2.gz RAHNWYPNEWZBAJ-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363533762 345770642 /nfs/dbraw/zinc/77/06/42/345770642.db2.gz RAHNWYPNEWZBAJ-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363533762 345770647 /nfs/dbraw/zinc/77/06/47/345770647.db2.gz RAHNWYPNEWZBAJ-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000363533758 345770708 /nfs/dbraw/zinc/77/07/08/345770708.db2.gz RAHNWYPNEWZBAJ-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000363533758 345770709 /nfs/dbraw/zinc/77/07/09/345770709.db2.gz RAHNWYPNEWZBAJ-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000363533758 345770712 /nfs/dbraw/zinc/77/07/12/345770712.db2.gz RAHNWYPNEWZBAJ-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000363533758 345770715 /nfs/dbraw/zinc/77/07/15/345770715.db2.gz RAHNWYPNEWZBAJ-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350763636 166234073 /nfs/dbraw/zinc/23/40/73/166234073.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000350763636 166234074 /nfs/dbraw/zinc/23/40/74/166234074.db2.gz MWXYEPMZNLBRNB-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310517449 347291300 /nfs/dbraw/zinc/29/13/00/347291300.db2.gz VSZSOJYZPQIGBT-CHWSQXEVSA-N 2 1 224.392 2.661 20 30 BFEDMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](CC#N)C2)CC1(C)C ZINC000598981246 349070958 /nfs/dbraw/zinc/07/09/58/349070958.db2.gz VZXOSJXDDAQHOV-MELADBBJSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538791 362958417 /nfs/dbraw/zinc/95/84/17/362958417.db2.gz VGGRUAGVICBTNP-GFCCVEGCSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623538792 362958663 /nfs/dbraw/zinc/95/86/63/362958663.db2.gz VGGRUAGVICBTNP-LBPRGKRZSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336648089 350565496 /nfs/dbraw/zinc/56/54/96/350565496.db2.gz CJTQXDMSKBABHU-MELADBBJSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336648089 350565499 /nfs/dbraw/zinc/56/54/99/350565499.db2.gz CJTQXDMSKBABHU-MELADBBJSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[NH+](CC=C)CC[C@H]1CCCC[N@H+]1C ZINC000267841374 166335642 /nfs/dbraw/zinc/33/56/42/166335642.db2.gz BEKOOGNISMZUST-CQSZACIVSA-N 2 1 222.376 2.535 20 30 BFEDMP C=CC[NH+](CC=C)CC[C@H]1CCCC[N@@H+]1C ZINC000267841374 166335645 /nfs/dbraw/zinc/33/56/45/166335645.db2.gz BEKOOGNISMZUST-CQSZACIVSA-N 2 1 222.376 2.535 20 30 BFEDMP C=CC[NH+](C)CCC(C)CC[N@@H+](C)CC=C ZINC000411575090 191195715 /nfs/dbraw/zinc/19/57/15/191195715.db2.gz VKYPCDHMQZVXEF-UHFFFAOYSA-N 2 1 224.392 2.638 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336767718 353275793 /nfs/dbraw/zinc/27/57/93/353275793.db2.gz TXWMTAZJDMLFHF-STQMWFEESA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336767718 353275796 /nfs/dbraw/zinc/27/57/96/353275796.db2.gz TXWMTAZJDMLFHF-STQMWFEESA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000185346971 353794101 /nfs/dbraw/zinc/79/41/01/353794101.db2.gz XMRKYPSMCPMFLQ-STQMWFEESA-N 2 1 235.375 2.772 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000352044447 134045879 /nfs/dbraw/zinc/04/58/79/134045879.db2.gz HQKDYKDBTKWANP-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049553073 356480175 /nfs/dbraw/zinc/48/01/75/356480175.db2.gz WVQUSUGVCCCARG-STQMWFEESA-N 2 1 245.370 2.549 20 30 BFEDMP C=CCCCC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755807 356659018 /nfs/dbraw/zinc/65/90/18/356659018.db2.gz NGYVVEZCZBCOLY-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367604518 134215880 /nfs/dbraw/zinc/21/58/80/134215880.db2.gz UNBJWDWUKICVAZ-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=CCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367604518 134215878 /nfs/dbraw/zinc/21/58/78/134215878.db2.gz UNBJWDWUKICVAZ-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=CCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367604518 134215879 /nfs/dbraw/zinc/21/58/79/134215879.db2.gz UNBJWDWUKICVAZ-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676411 134226853 /nfs/dbraw/zinc/22/68/53/134226853.db2.gz KMYHTZJHEHCOTQ-KKUMJFAQSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126762955 358554650 /nfs/dbraw/zinc/55/46/50/358554650.db2.gz ULJXDPJEROFSLK-MELADBBJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126762955 358554652 /nfs/dbraw/zinc/55/46/52/358554652.db2.gz ULJXDPJEROFSLK-MELADBBJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075836434 359226507 /nfs/dbraw/zinc/22/65/07/359226507.db2.gz TUVCCBXAKDSWFA-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000090003409 360053024 /nfs/dbraw/zinc/05/30/24/360053024.db2.gz MYMVNDAUBYYWBL-AWEZNQCLSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CCCC[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000579123459 366717622 /nfs/dbraw/zinc/71/76/22/366717622.db2.gz SKHDTDSCDRHDLF-KBPBESRZSA-N 2 1 247.386 2.954 20 30 BFEDMP C=CCCC[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000579123461 366718229 /nfs/dbraw/zinc/71/82/29/366718229.db2.gz SKHDTDSCDRHDLF-KGLIPLIRSA-N 2 1 247.386 2.954 20 30 BFEDMP C=CC[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000629549118 361435414 /nfs/dbraw/zinc/43/54/14/361435414.db2.gz ISBBGIHKZRCWOW-HNNXBMFYSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784013 203368439 /nfs/dbraw/zinc/36/84/39/203368439.db2.gz NTUQJTZYNMZFCK-UONOGXRCSA-N 2 1 224.392 2.663 20 30 BFEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353972475 169196826 /nfs/dbraw/zinc/19/68/26/169196826.db2.gz OASCPAYNGOSDFL-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000353972475 169196828 /nfs/dbraw/zinc/19/68/28/169196828.db2.gz OASCPAYNGOSDFL-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP C#CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158849204 384296534 /nfs/dbraw/zinc/29/65/34/384296534.db2.gz SFCIXZZTMLSEQY-HNNXBMFYSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275653276 384407010 /nfs/dbraw/zinc/40/70/10/384407010.db2.gz FDTDOEVKIQJISQ-GOEBONIOSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275653276 384407014 /nfs/dbraw/zinc/40/70/14/384407014.db2.gz FDTDOEVKIQJISQ-GOEBONIOSA-N 2 1 244.382 2.815 20 30 BFEDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423286633 384531268 /nfs/dbraw/zinc/53/12/68/384531268.db2.gz HXANFWHTYFFVSH-GFCCVEGCSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336654405 385733549 /nfs/dbraw/zinc/73/35/49/385733549.db2.gz HFEJWEURHGBSGE-KBPBESRZSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1CCC ZINC000336672223 386823140 /nfs/dbraw/zinc/82/31/40/386823140.db2.gz AFAUOLMLGVWONL-KBPBESRZSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+]1CCC ZINC000336672223 386823144 /nfs/dbraw/zinc/82/31/44/386823144.db2.gz AFAUOLMLGVWONL-KBPBESRZSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228609528 387111694 /nfs/dbraw/zinc/11/16/94/387111694.db2.gz ULJXDPJEROFSLK-IHRRRGAJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000228609528 387111697 /nfs/dbraw/zinc/11/16/97/387111697.db2.gz ULJXDPJEROFSLK-IHRRRGAJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H](C[NH3+])CCCC)C1CC1 ZINC000423303812 387136728 /nfs/dbraw/zinc/13/67/28/387136728.db2.gz XOILORVUXMXURY-KGLIPLIRSA-N 2 1 224.392 2.838 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442632636 387810937 /nfs/dbraw/zinc/81/09/37/387810937.db2.gz FJUOAHIRKBREKZ-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442832082 387848588 /nfs/dbraw/zinc/84/85/88/387848588.db2.gz CMINWBGVEPYHHK-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP CCCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000193613644 387859619 /nfs/dbraw/zinc/85/96/19/387859619.db2.gz GLQDKVAMIVZULZ-GASCZTMLSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000193613644 387859623 /nfs/dbraw/zinc/85/96/23/387859623.db2.gz GLQDKVAMIVZULZ-GASCZTMLSA-N 2 1 238.419 2.840 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000438977673 387969932 /nfs/dbraw/zinc/96/99/32/387969932.db2.gz LGYWKMRPQXFDAP-CFVMTHIKSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000438977673 387969937 /nfs/dbraw/zinc/96/99/37/387969937.db2.gz LGYWKMRPQXFDAP-CFVMTHIKSA-N 2 1 236.403 2.804 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000489444300 388214854 /nfs/dbraw/zinc/21/48/54/388214854.db2.gz WPQRSDBJSPXZLH-CQSZACIVSA-N 2 1 233.359 2.622 20 30 BFEDMP C=C[C@@H]1CCCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000489444300 388214855 /nfs/dbraw/zinc/21/48/55/388214855.db2.gz WPQRSDBJSPXZLH-CQSZACIVSA-N 2 1 233.359 2.622 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561234 388233233 /nfs/dbraw/zinc/23/32/33/388233233.db2.gz SPIQVAWRLYKCBU-FIBILERRSA-N 2 1 236.403 2.802 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000381356797 388571977 /nfs/dbraw/zinc/57/19/77/388571977.db2.gz CJTQXDMSKBABHU-MGPQQGTHSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000381356797 388571980 /nfs/dbraw/zinc/57/19/80/388571980.db2.gz CJTQXDMSKBABHU-MGPQQGTHSA-N 2 1 226.408 2.905 20 30 BFEDMP C=C(C)C[N@@H+](CC)CC[C@H]1CCCC[NH+]1C ZINC000356809929 533505131 /nfs/dbraw/zinc/50/51/31/533505131.db2.gz DMFAIVUBQGBZEI-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+](CC)CC[C@H]1CCCC[N@@H+]1C ZINC000356809929 533505134 /nfs/dbraw/zinc/50/51/34/533505134.db2.gz DMFAIVUBQGBZEI-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+](CC)CC[C@H]1CCCC[N@H+]1C ZINC000356809929 533505138 /nfs/dbraw/zinc/50/51/38/533505138.db2.gz DMFAIVUBQGBZEI-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000352028582 134044005 /nfs/dbraw/zinc/04/40/05/134044005.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000352028582 134044006 /nfs/dbraw/zinc/04/40/06/134044006.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)CC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000352028582 134044007 /nfs/dbraw/zinc/04/40/07/134044007.db2.gz QGRROHKQQRPFAI-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000367847594 134216518 /nfs/dbraw/zinc/21/65/18/134216518.db2.gz GLBHGSCZVDCQJC-OAHLLOKOSA-N 2 1 238.419 2.984 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367847594 134216519 /nfs/dbraw/zinc/21/65/19/134216519.db2.gz GLBHGSCZVDCQJC-OAHLLOKOSA-N 2 1 238.419 2.984 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367847594 134216520 /nfs/dbraw/zinc/21/65/20/134216520.db2.gz GLBHGSCZVDCQJC-OAHLLOKOSA-N 2 1 238.419 2.984 20 30 BFEDMP C=C(Cl)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075324 134235361 /nfs/dbraw/zinc/23/53/61/134235361.db2.gz SDHDIFNAQPXFOK-UHFFFAOYSA-N 2 1 242.794 2.547 20 30 BFEDMP CC[C@@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185774915 134394512 /nfs/dbraw/zinc/39/45/12/134394512.db2.gz GSRBYFMBYQNLIV-ZNMIVQPWSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252803949 135111179 /nfs/dbraw/zinc/11/11/79/135111179.db2.gz CJOUAFWDJLAVJZ-IHRRRGAJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CC[NH+](C)Cc1ccccc1C[N@@H+](C)CC=C ZINC000121332872 135222245 /nfs/dbraw/zinc/22/22/45/135222245.db2.gz RFTYUNABRHOWRS-UHFFFAOYSA-N 2 1 244.382 2.922 20 30 BFEDMP CC(C)[NH+](CC#CC[N@H+](C(C)C)C1CC1)C1CC1 ZINC000341830991 135243101 /nfs/dbraw/zinc/24/31/01/135243101.db2.gz IBYNXAJQYIPYAG-UHFFFAOYSA-N 2 1 248.414 2.735 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H]2CC)CC1 ZINC000348125172 136033318 /nfs/dbraw/zinc/03/33/18/136033318.db2.gz XLISHZSFRRFPMD-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923828 398100283 /nfs/dbraw/zinc/10/02/83/398100283.db2.gz GDVODNOREOSHKR-QWHCGFSZSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350763637 166234084 /nfs/dbraw/zinc/23/40/84/166234084.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000350763637 166234085 /nfs/dbraw/zinc/23/40/85/166234085.db2.gz MWXYEPMZNLBRNB-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCC[NH+](C)CCCC[N@H+](C)CCC=C ZINC000265842880 166257766 /nfs/dbraw/zinc/25/77/66/166257766.db2.gz WZUMRBKIRMQVQE-UHFFFAOYSA-N 2 1 224.392 2.782 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000661381500 410597002 /nfs/dbraw/zinc/59/70/02/410597002.db2.gz MIBYWGFBXGKKTF-HNNXBMFYSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000661381500 410597006 /nfs/dbraw/zinc/59/70/06/410597006.db2.gz MIBYWGFBXGKKTF-HNNXBMFYSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661382129 410597199 /nfs/dbraw/zinc/59/71/99/410597199.db2.gz SKRQBZIWPIZSEL-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000661382129 410597206 /nfs/dbraw/zinc/59/72/06/410597206.db2.gz SKRQBZIWPIZSEL-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000661382129 410597210 /nfs/dbraw/zinc/59/72/10/410597210.db2.gz SKRQBZIWPIZSEL-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000651667774 411134402 /nfs/dbraw/zinc/13/44/02/411134402.db2.gz QZIYKZOPXCZRFI-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000651678542 411135038 /nfs/dbraw/zinc/13/50/38/411135038.db2.gz TVKFUBAXDPETRO-QXSJWSMHSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000651678542 411135040 /nfs/dbraw/zinc/13/50/40/411135040.db2.gz TVKFUBAXDPETRO-QXSJWSMHSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000651682344 411135498 /nfs/dbraw/zinc/13/54/98/411135498.db2.gz VYBVVWFMULPNNK-HUUCEWRRSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000656787368 411365797 /nfs/dbraw/zinc/36/57/97/411365797.db2.gz JDNXHISOBIWUSK-ZDUSSCGKSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000656787368 411365799 /nfs/dbraw/zinc/36/57/99/411365799.db2.gz JDNXHISOBIWUSK-ZDUSSCGKSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCn1cc[nH+]c1C ZINC000657863123 411613191 /nfs/dbraw/zinc/61/31/91/411613191.db2.gz IQAXRSUBSMIZFK-HUUCEWRRSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000657863120 411613424 /nfs/dbraw/zinc/61/34/24/411613424.db2.gz IQAXRSUBSMIZFK-CABCVRRESA-N 2 1 247.386 2.916 20 30 BFEDMP C=CCCC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000662174435 412020089 /nfs/dbraw/zinc/02/00/89/412020089.db2.gz AWKXLFJTVIUSRI-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CCCC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000662174435 412020092 /nfs/dbraw/zinc/02/00/92/412020092.db2.gz AWKXLFJTVIUSRI-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CC[NH+](CC=C)CCCCn1cc[nH+]c1C ZINC000125464177 323005047 /nfs/dbraw/zinc/00/50/47/323005047.db2.gz JCQMNYQDRORJEV-UHFFFAOYSA-N 2 1 233.359 2.646 20 30 BFEDMP C=CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000653681993 488026092 /nfs/dbraw/zinc/02/60/92/488026092.db2.gz NGWOBQDKKVXSQJ-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000653681993 488026097 /nfs/dbraw/zinc/02/60/97/488026097.db2.gz NGWOBQDKKVXSQJ-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681993 488026101 /nfs/dbraw/zinc/02/61/01/488026101.db2.gz NGWOBQDKKVXSQJ-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000653681993 488026105 /nfs/dbraw/zinc/02/61/05/488026105.db2.gz NGWOBQDKKVXSQJ-UONOGXRCSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCC[N@H+](C)CCCC1CC[NH2+]CC1 ZINC000220276045 488033802 /nfs/dbraw/zinc/03/38/02/488033802.db2.gz KIXWXBSUEGHMGH-UHFFFAOYSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341448797 534358761 /nfs/dbraw/zinc/35/87/61/534358761.db2.gz DHBNFECZOGVAMM-AJNGGQMLSA-N 2 1 236.403 2.804 20 30 BFEDMP C=C(C)C[NH+](C)[C@@H](C)CC[N@@H+](C)CC(=C)C ZINC000351093042 538700942 /nfs/dbraw/zinc/70/09/42/538700942.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=C(C)C[NH+](C)CC[C@H](C)[N@H+](C)CC(=C)C ZINC000351093042 538700946 /nfs/dbraw/zinc/70/09/46/538700946.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=C(C)C[NH+](C)CC[C@H](C)[N@@H+](C)CC(=C)C ZINC000351093042 538700957 /nfs/dbraw/zinc/70/09/57/538700957.db2.gz AKEYKYQMXNKLRB-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCCC[N@H+](CC)CC1CC[NH+](C)CC1 ZINC000898244114 584099933 /nfs/dbraw/zinc/09/99/33/584099933.db2.gz DDRUJKFUNFLEKB-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP N#CC1(CCCC[N@H+]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000903713526 584793793 /nfs/dbraw/zinc/79/37/93/584793793.db2.gz ULWWVMVDSMUZCP-CQSZACIVSA-N 2 1 249.402 2.664 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CCCC[C@@H]2C[NH3+])CCC1 ZINC000903713526 584793794 /nfs/dbraw/zinc/79/37/94/584793794.db2.gz ULWWVMVDSMUZCP-CQSZACIVSA-N 2 1 249.402 2.664 20 30 BFEDMP C#CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465571 585285038 /nfs/dbraw/zinc/28/50/38/585285038.db2.gz PAWFBPOGZPIHCW-CABCVRRESA-N 2 1 248.414 2.642 20 30 BFEDMP C=C(C)C[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000779145549 585745836 /nfs/dbraw/zinc/74/58/36/585745836.db2.gz WYAIWMBPAZODTG-UHFFFAOYSA-N 2 1 232.371 2.756 20 30 BFEDMP CC[C@@H](C)CO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000793146805 586011676 /nfs/dbraw/zinc/01/16/76/586011676.db2.gz VKTHITCJHWKTLB-LLVKDONJSA-N 2 1 235.331 2.544 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000850472353 588548850 /nfs/dbraw/zinc/54/88/50/588548850.db2.gz YWZVXVUGNMYHIR-HOTGVXAUSA-N 2 1 248.414 2.666 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@@H]1CC=C ZINC000850472353 588548851 /nfs/dbraw/zinc/54/88/51/588548851.db2.gz YWZVXVUGNMYHIR-HOTGVXAUSA-N 2 1 248.414 2.666 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940868 590259220 /nfs/dbraw/zinc/25/92/20/590259220.db2.gz ZKDDAJOAMVSDOA-CVEARBPZSA-N 2 1 248.414 2.787 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000878157120 590509584 /nfs/dbraw/zinc/50/95/84/590509584.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000878157120 590509587 /nfs/dbraw/zinc/50/95/87/590509587.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157120 590509588 /nfs/dbraw/zinc/50/95/88/590509588.db2.gz VSVCDASGLUWEAW-DZGCQCFKSA-N 2 1 236.403 2.615 20 30 BFEDMP C#CCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000878164016 590511589 /nfs/dbraw/zinc/51/15/89/590511589.db2.gz ZBRAOGIAQAWJJH-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000878164016 590511590 /nfs/dbraw/zinc/51/15/90/590511590.db2.gz ZBRAOGIAQAWJJH-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878164016 590511592 /nfs/dbraw/zinc/51/15/92/590511592.db2.gz ZBRAOGIAQAWJJH-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878164016 590511593 /nfs/dbraw/zinc/51/15/93/590511593.db2.gz ZBRAOGIAQAWJJH-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286238 590533694 /nfs/dbraw/zinc/53/36/94/590533694.db2.gz LVNBDJHCRCELSC-OFQRWUPVSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000878286238 590533697 /nfs/dbraw/zinc/53/36/97/590533697.db2.gz LVNBDJHCRCELSC-OFQRWUPVSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286238 590533699 /nfs/dbraw/zinc/53/36/99/590533699.db2.gz LVNBDJHCRCELSC-OFQRWUPVSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000878286238 590533702 /nfs/dbraw/zinc/53/37/02/590533702.db2.gz LVNBDJHCRCELSC-OFQRWUPVSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000878339020 590550645 /nfs/dbraw/zinc/55/06/45/590550645.db2.gz HDXGTNJPCZAWBK-CYBMUJFWSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000878339020 590550646 /nfs/dbraw/zinc/55/06/46/590550646.db2.gz HDXGTNJPCZAWBK-CYBMUJFWSA-N 2 1 222.376 2.511 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572371 590810177 /nfs/dbraw/zinc/81/01/77/590810177.db2.gz GQNBQAUGQBKNAP-LSDHHAIUSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879572371 590810181 /nfs/dbraw/zinc/81/01/81/590810181.db2.gz GQNBQAUGQBKNAP-LSDHHAIUSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879572371 590810187 /nfs/dbraw/zinc/81/01/87/590810187.db2.gz GQNBQAUGQBKNAP-LSDHHAIUSA-N 2 1 238.419 2.983 20 30 BFEDMP CCCCCCC[NH+]1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572371 590810191 /nfs/dbraw/zinc/81/01/91/590810191.db2.gz GQNBQAUGQBKNAP-LSDHHAIUSA-N 2 1 238.419 2.983 20 30 BFEDMP C=C(C)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880258860 590979233 /nfs/dbraw/zinc/97/92/33/590979233.db2.gz DJHYWHFKCYBSBV-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP C=C(Cl)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517779 591083438 /nfs/dbraw/zinc/08/34/38/591083438.db2.gz WRVACZJPSZXKCH-UHFFFAOYSA-N 2 1 244.810 2.937 20 30 BFEDMP C=C(Cl)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000880517779 591083441 /nfs/dbraw/zinc/08/34/41/591083441.db2.gz WRVACZJPSZXKCH-UHFFFAOYSA-N 2 1 244.810 2.937 20 30 BFEDMP C#CCCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886660970 592293057 /nfs/dbraw/zinc/29/30/57/592293057.db2.gz JDHQUWRLWRUDSP-UHFFFAOYSA-N 2 1 245.370 2.619 20 30 BFEDMP C=C(C)C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886707576 592308944 /nfs/dbraw/zinc/30/89/44/592308944.db2.gz LSOGWBGJLXIPOT-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136022 592451987 /nfs/dbraw/zinc/45/19/87/592451987.db2.gz GQYGIZQOTGMQJT-KBPBESRZSA-N 2 1 245.370 2.557 20 30 BFEDMP CCCCCCC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000308824974 631671218 /nfs/dbraw/zinc/67/12/18/631671218.db2.gz KQEOFIXAZFVJNR-ZDUSSCGKSA-N 2 1 214.397 2.920 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310539293 632754489 /nfs/dbraw/zinc/75/44/89/632754489.db2.gz BSQORSWSQVZZTP-GASCZTMLSA-N 2 1 238.419 2.888 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@]1(C)CCC[NH2+]C1 ZINC000904471524 637426452 /nfs/dbraw/zinc/42/64/52/637426452.db2.gz IFORXMQKCHBFEW-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931434890 640201933 /nfs/dbraw/zinc/20/19/33/640201933.db2.gz AHQKICDEKXZNPL-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931434890 640201936 /nfs/dbraw/zinc/20/19/36/640201936.db2.gz AHQKICDEKXZNPL-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931434890 640201941 /nfs/dbraw/zinc/20/19/41/640201941.db2.gz AHQKICDEKXZNPL-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP C=CC[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000165492086 640581980 /nfs/dbraw/zinc/58/19/80/640581980.db2.gz ZDOIBMSXMHGBRM-AGUYFDCRSA-N 2 1 234.387 2.558 20 30 BFEDMP C=CCCC[N@@H+](CC)CCCn1cc[nH+]c1C ZINC000934646119 641231469 /nfs/dbraw/zinc/23/14/69/641231469.db2.gz IQTGMOBTHCCFSG-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCC[N@H+](CC)CCCn1cc[nH+]c1C ZINC000934646119 641231475 /nfs/dbraw/zinc/23/14/75/641231475.db2.gz IQTGMOBTHCCFSG-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000252786470 642896333 /nfs/dbraw/zinc/89/63/33/642896333.db2.gz VNUJNKQXRCGSIE-STQMWFEESA-N 2 1 212.381 2.626 20 30 BFEDMP C=CC[N@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923304044 644341329 /nfs/dbraw/zinc/34/13/29/644341329.db2.gz BVEQNIHBXJQDDN-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=CC[N@@H+](CCC[NH2+]C1CC1)Cc1ccccc1 ZINC000923304044 644341333 /nfs/dbraw/zinc/34/13/33/644341333.db2.gz BVEQNIHBXJQDDN-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000715055914 712505055 /nfs/dbraw/zinc/50/50/55/712505055.db2.gz ZNZKNZVTDBHKDM-UKRRQHHQSA-N 2 1 236.403 2.663 20 30 BFEDMP C=C1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000724492874 710742021 /nfs/dbraw/zinc/74/20/21/710742021.db2.gz YHHAFDPJCJWWPQ-UHFFFAOYSA-N 2 1 248.414 2.949 20 30 BFEDMP C=C1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000724565983 710742261 /nfs/dbraw/zinc/74/22/61/710742261.db2.gz JIWLMLQUQUAGRU-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000228988610 711759282 /nfs/dbraw/zinc/75/92/82/711759282.db2.gz NLAUCWSWXOTRPO-KGLIPLIRSA-N 2 1 226.408 2.874 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000161212127 711810932 /nfs/dbraw/zinc/81/09/32/711810932.db2.gz VNUJNKQXRCGSIE-CHWSQXEVSA-N 2 1 212.381 2.626 20 30 BFEDMP C[N@@H+](CCCCCC[NH3+])Cc1cccc(C#N)c1 ZINC000710766782 712256136 /nfs/dbraw/zinc/25/61/36/712256136.db2.gz QFXJEGXGUADQEH-UHFFFAOYSA-N 2 1 245.370 2.509 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H]1C ZINC000379990907 712644915 /nfs/dbraw/zinc/64/49/15/712644915.db2.gz XJUDHSQJVPKVSO-STQMWFEESA-N 2 1 212.381 2.768 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709789760 961580433 /nfs/dbraw/zinc/58/04/33/961580433.db2.gz MXRMUPVGFPHMAI-HNNXBMFYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@H]([NH3+])CC1 ZINC001205094298 965725191 /nfs/dbraw/zinc/72/51/91/965725191.db2.gz LERSKDKASCHAHX-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CC[NH+](CC=C)CC1(C[NH+](C)C)CCCC1 ZINC001208186699 969116980 /nfs/dbraw/zinc/11/69/80/969116980.db2.gz YTSUVIMVURATAA-UHFFFAOYSA-N 2 1 236.403 2.782 20 30 BFEDMP C=CC[NH+]([C@H]1CCC[N@@H+](C)CC1)C(C)(C)C ZINC001254531743 969727498 /nfs/dbraw/zinc/72/74/98/969727498.db2.gz KZMDSRFBPUMBGB-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[NH+]([C@H]1CCC[N@H+](C)CC1)C(C)(C)C ZINC001254531743 969727506 /nfs/dbraw/zinc/72/75/06/969727506.db2.gz KZMDSRFBPUMBGB-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@@H+]([C@H]1CCC[NH+](C)CC1)C(C)(C)C ZINC001254531743 969727512 /nfs/dbraw/zinc/72/75/12/969727512.db2.gz KZMDSRFBPUMBGB-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@H+]([C@H]1CCC[NH+](C)CC1)C(C)(C)C ZINC001254531743 969727515 /nfs/dbraw/zinc/72/75/15/969727515.db2.gz KZMDSRFBPUMBGB-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@@]12CCC[NH2+]C2 ZINC001235172194 978990623 /nfs/dbraw/zinc/99/06/23/978990623.db2.gz KQYUQPZHHCZFNS-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235978856 979236903 /nfs/dbraw/zinc/23/69/03/979236903.db2.gz KRBPRIIODVQPFI-GJZGRUSLSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236013843 979299535 /nfs/dbraw/zinc/29/95/35/979299535.db2.gz CPCVQOCTIUYPTG-HUUCEWRRSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236013843 979299553 /nfs/dbraw/zinc/29/95/53/979299553.db2.gz CPCVQOCTIUYPTG-HUUCEWRRSA-N 2 1 236.403 2.936 20 30 BFEDMP CCCC[N@H+](CC)CC[NH2+][C@@H](C)CCCC#N ZINC001172478524 974777469 /nfs/dbraw/zinc/77/74/69/974777469.db2.gz CYTXYZNXSHOPSW-AWEZNQCLSA-N 2 1 239.407 2.780 20 30 BFEDMP CCCC[N@@H+](CC)CC[NH2+][C@@H](C)CCCC#N ZINC001172478524 974777473 /nfs/dbraw/zinc/77/74/73/974777473.db2.gz CYTXYZNXSHOPSW-AWEZNQCLSA-N 2 1 239.407 2.780 20 30 BFEDMP N#CCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900356 971013284 /nfs/dbraw/zinc/01/32/84/971013284.db2.gz MQVXTTJRFFXGNL-CQSZACIVSA-N 2 1 249.402 2.677 20 30 BFEDMP N#CCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900356 971013304 /nfs/dbraw/zinc/01/33/04/971013304.db2.gz MQVXTTJRFFXGNL-CQSZACIVSA-N 2 1 249.402 2.677 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@](C)([NH3+])C1 ZINC000405807145 971313330 /nfs/dbraw/zinc/31/33/30/971313330.db2.gz RTCYGPJGRQZVGH-ZDUSSCGKSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@](C)([NH3+])C1 ZINC000405807144 971311759 /nfs/dbraw/zinc/31/17/59/971311759.db2.gz RTCYGPJGRQZVGH-CYBMUJFWSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H](N)[C@@H](F)CC1 ZINC001206156944 974332117 /nfs/dbraw/zinc/33/21/17/974332117.db2.gz UPINLQUYDLYBJN-STQMWFEESA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156944 974332123 /nfs/dbraw/zinc/33/21/23/974332123.db2.gz UPINLQUYDLYBJN-STQMWFEESA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206156944 974332128 /nfs/dbraw/zinc/33/21/28/974332128.db2.gz UPINLQUYDLYBJN-STQMWFEESA-N 2 1 230.371 2.718 20 30 BFEDMP C=CCCCCCC[NH+]1CC2(C1)CCC[NH2+]C2 ZINC001222335299 972438763 /nfs/dbraw/zinc/43/87/63/972438763.db2.gz DZRBRPDGPJIVFF-UHFFFAOYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167965872 963015806 /nfs/dbraw/zinc/01/58/06/963015806.db2.gz OOOSXXARISLBJI-GOOCMWNKSA-N 2 1 234.387 2.558 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162394291 964954551 /nfs/dbraw/zinc/95/45/51/964954551.db2.gz OSPINZPSXSPPDU-UONOGXRCSA-N 2 1 245.370 2.800 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763902 967156093 /nfs/dbraw/zinc/15/60/93/967156093.db2.gz RRXNVIRFNUQLJA-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000829178373 968826391 /nfs/dbraw/zinc/82/63/91/968826391.db2.gz DREMFRQBHVMRET-MGPQQGTHSA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000829178373 968826394 /nfs/dbraw/zinc/82/63/94/968826394.db2.gz DREMFRQBHVMRET-MGPQQGTHSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001209440903 969512591 /nfs/dbraw/zinc/51/25/91/969512591.db2.gz RWXMWPYRLDCZLZ-UHFFFAOYSA-N 2 1 247.386 2.878 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001209440903 969512598 /nfs/dbraw/zinc/51/25/98/969512598.db2.gz RWXMWPYRLDCZLZ-UHFFFAOYSA-N 2 1 247.386 2.878 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC001256208241 970710221 /nfs/dbraw/zinc/71/02/21/970710221.db2.gz AMLVJVGLUPVTIE-UHFFFAOYSA-N 2 1 244.382 2.769 20 30 BFEDMP C=CCN(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC001256208241 970710233 /nfs/dbraw/zinc/71/02/33/970710233.db2.gz AMLVJVGLUPVTIE-UHFFFAOYSA-N 2 1 244.382 2.769 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2C[NH2+]CC[C@H]21 ZINC001222615701 972604374 /nfs/dbraw/zinc/60/43/74/972604374.db2.gz RTMPFRKOMVXFQA-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP CCC[NH+](CCC)CC[NH2+][C@H](C)CCCC#N ZINC001172480239 974779445 /nfs/dbraw/zinc/77/94/45/974779445.db2.gz MYVMXWFPRWIUMW-CQSZACIVSA-N 2 1 239.407 2.780 20 30 BFEDMP C[C@H](CCCC#N)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001172481300 974781998 /nfs/dbraw/zinc/78/19/98/974781998.db2.gz SGQYRHHXIGKCQI-CQSZACIVSA-N 2 1 245.370 2.530 20 30 BFEDMP C[C@H](CCCC#N)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001172481300 974782002 /nfs/dbraw/zinc/78/20/02/974782002.db2.gz SGQYRHHXIGKCQI-CQSZACIVSA-N 2 1 245.370 2.530 20 30 BFEDMP C=CCC[C@H]([NH2+]CC[C@@H](C)[NH2+]C)c1ccco1 ZINC001331836539 974832036 /nfs/dbraw/zinc/83/20/36/974832036.db2.gz XJNMNGHJQUTWQK-OLZOCXBDSA-N 2 1 236.359 2.875 20 30 BFEDMP C=CCCCC[N@@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121599 978978064 /nfs/dbraw/zinc/97/80/64/978978064.db2.gz FRSQGZWDBVDDGI-AWEZNQCLSA-N 2 1 222.376 2.561 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001235121599 978978069 /nfs/dbraw/zinc/97/80/69/978978069.db2.gz FRSQGZWDBVDDGI-AWEZNQCLSA-N 2 1 222.376 2.561 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@@H]21 ZINC001235255994 979010300 /nfs/dbraw/zinc/01/03/00/979010300.db2.gz DXYWEOBGQYRYKW-KBPBESRZSA-N 2 1 224.392 2.641 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235258038 979010723 /nfs/dbraw/zinc/01/07/23/979010723.db2.gz KNAFUKQULPNLDY-OWCLPIDISA-N 2 1 246.398 2.583 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235258038 979010729 /nfs/dbraw/zinc/01/07/29/979010729.db2.gz KNAFUKQULPNLDY-OWCLPIDISA-N 2 1 246.398 2.583 20 30 BFEDMP CCCCCCC[N@@H+](C)C[C@@H]([NH3+])CC ZINC001235663099 979109644 /nfs/dbraw/zinc/10/96/44/979109644.db2.gz QMDAEKRFOZWHIB-LBPRGKRZSA-N 2 1 200.370 2.626 20 30 BFEDMP C=CCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235711178 979129313 /nfs/dbraw/zinc/12/93/13/979129313.db2.gz LEMXNFBCULOJLU-UHFFFAOYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H](C)C[C@H]([NH3+])C1 ZINC001236043677 979334774 /nfs/dbraw/zinc/33/47/74/979334774.db2.gz DDJHCZCSXFFSNZ-KGLIPLIRSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCCC[N@@H+](CC)CC[NH2+]C ZINC001236142392 979409056 /nfs/dbraw/zinc/40/90/56/979409056.db2.gz CUIXLBKWVIKGEM-UHFFFAOYSA-N 2 1 212.381 2.664 20 30 BFEDMP C=CCCCCCC[N@H+](CC)CC[NH2+]C ZINC001236142392 979409066 /nfs/dbraw/zinc/40/90/66/979409066.db2.gz CUIXLBKWVIKGEM-UHFFFAOYSA-N 2 1 212.381 2.664 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236246027 979468725 /nfs/dbraw/zinc/46/87/25/979468725.db2.gz WUOFESJDUDYDJV-HUUCEWRRSA-N 2 1 234.387 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H]2C[NH3+])CC1 ZINC001236246027 979468729 /nfs/dbraw/zinc/46/87/29/979468729.db2.gz WUOFESJDUDYDJV-HUUCEWRRSA-N 2 1 234.387 2.712 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383468 979877433 /nfs/dbraw/zinc/87/74/33/979877433.db2.gz PGYCHGURTHPLAV-CABCVRRESA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCC[NH+]1CC2(C1)CC[N@@H+](C1CCCC1)C2 ZINC001274964313 984422148 /nfs/dbraw/zinc/42/21/48/984422148.db2.gz IFEBTULHHQOTMI-UHFFFAOYSA-N 2 1 248.414 2.903 20 30 BFEDMP C=CCCC[NH+]1CC2(C1)CC[N@H+](C1CCCC1)C2 ZINC001274964313 984422182 /nfs/dbraw/zinc/42/21/82/984422182.db2.gz IFEBTULHHQOTMI-UHFFFAOYSA-N 2 1 248.414 2.903 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001258722065 986056625 /nfs/dbraw/zinc/05/66/25/986056625.db2.gz BRARBWQUAQMEND-ZIAGYGMSSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001258722065 986056640 /nfs/dbraw/zinc/05/66/40/986056640.db2.gz BRARBWQUAQMEND-ZIAGYGMSSA-N 2 1 236.403 2.948 20 30 BFEDMP N#C[C@@H]1CC[C@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638172 986682069 /nfs/dbraw/zinc/68/20/69/986682069.db2.gz XKAUWYZEJJWMLW-HIFRSBDPSA-N 2 1 249.402 2.662 20 30 BFEDMP CC[C@H](CC#N)[N@H+](CCC[NH3+])C1CCCCC1 ZINC001255152756 986823851 /nfs/dbraw/zinc/82/38/51/986823851.db2.gz ACEXONMXHDOOBA-CYBMUJFWSA-N 2 1 237.391 2.662 20 30 BFEDMP CC[C@H](CC#N)[N@@H+](CCC[NH3+])C1CCCCC1 ZINC001255152756 986823858 /nfs/dbraw/zinc/82/38/58/986823858.db2.gz ACEXONMXHDOOBA-CYBMUJFWSA-N 2 1 237.391 2.662 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+][C@H](C)C[NH3+] ZINC001246199930 987595240 /nfs/dbraw/zinc/59/52/40/987595240.db2.gz MEOZDWDLOPFLEF-NWDGAFQWSA-N 2 1 200.370 2.672 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]2C[C@H]21 ZINC001246506269 987859643 /nfs/dbraw/zinc/85/96/43/987859643.db2.gz ZCPKVPPWSGUQIG-GBJTYRQASA-N 2 1 238.419 2.933 20 30 BFEDMP C[C@]1([NH3+])CCC[N@H+](C2CCC(CC#N)CC2)CC1 ZINC001246554452 987960230 /nfs/dbraw/zinc/96/02/30/987960230.db2.gz VEHNGAONDNMWTP-NRXISQOPSA-N 2 1 249.402 2.662 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001246561952 987992032 /nfs/dbraw/zinc/99/20/32/987992032.db2.gz VBEACYQMIYAWAJ-HZSPNIEDSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001246561959 987998794 /nfs/dbraw/zinc/99/87/94/987998794.db2.gz VBEACYQMIYAWAJ-RDBSUJKOSA-N 2 1 224.392 2.648 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+]3CCCNC[C@@H]3C)C[C@H](C1)C2 ZINC001246576048 988081502 /nfs/dbraw/zinc/08/15/02/988081502.db2.gz YVUFVDWVPZHYOF-LSVZVQIISA-N 2 1 248.414 2.805 20 30 BFEDMP C[C@H](CCCC#N)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246594335 988191421 /nfs/dbraw/zinc/19/14/21/988191421.db2.gz PZPVMWLADPAYHG-KGLIPLIRSA-N 2 1 237.391 2.520 20 30 BFEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644083 988356897 /nfs/dbraw/zinc/35/68/97/988356897.db2.gz JBVVWYWGGMSPEX-RDBSUJKOSA-N 2 1 224.392 2.768 20 30 BFEDMP CCCCCCC[C@@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644083 988356910 /nfs/dbraw/zinc/35/69/10/988356910.db2.gz JBVVWYWGGMSPEX-RDBSUJKOSA-N 2 1 224.392 2.768 20 30 BFEDMP C=CC[NH+](CC=C)C1C[C@H](CC)[NH2+][C@@H](CC)C1 ZINC001246813676 988494412 /nfs/dbraw/zinc/49/44/12/988494412.db2.gz LLBKJYCLVKZHMJ-KBPBESRZSA-N 2 1 236.403 2.970 20 30 BFEDMP C=CC[NH+](CC=C)[C@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246812970 988496037 /nfs/dbraw/zinc/49/60/37/988496037.db2.gz GQNLNSQXDARSNX-GJZGRUSLSA-N 2 1 236.403 2.971 20 30 BFEDMP C=CC[NH+](CC=C)[C@H]1C[C@@H](CC)[NH2+][C@@H](CC)C1 ZINC001246813675 988496152 /nfs/dbraw/zinc/49/61/52/988496152.db2.gz LLBKJYCLVKZHMJ-FICVDOATSA-N 2 1 236.403 2.970 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC001326560424 989609275 /nfs/dbraw/zinc/60/92/75/989609275.db2.gz HFZYQTSWPWYFKF-CBBWQLFWSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238349 991435608 /nfs/dbraw/zinc/43/56/08/991435608.db2.gz MBJXCEZSMFQCNA-OAGGEKHMSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CC[C@@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560238349 991435613 /nfs/dbraw/zinc/43/56/13/991435613.db2.gz MBJXCEZSMFQCNA-OAGGEKHMSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CC[C@@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001560238349 991435619 /nfs/dbraw/zinc/43/56/19/991435619.db2.gz MBJXCEZSMFQCNA-OAGGEKHMSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CC[C@H](C)[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001560238347 991437768 /nfs/dbraw/zinc/43/77/68/991437768.db2.gz MBJXCEZSMFQCNA-HRCADAONSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CC[C@H](C)[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001560238347 991437772 /nfs/dbraw/zinc/43/77/72/991437772.db2.gz MBJXCEZSMFQCNA-HRCADAONSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CC[C@H](C)[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001560238347 991437778 /nfs/dbraw/zinc/43/77/78/991437778.db2.gz MBJXCEZSMFQCNA-HRCADAONSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+](C)CCC[NH+]1CCCC1 ZINC001258735670 991683716 /nfs/dbraw/zinc/68/37/16/991683716.db2.gz YTUDNGYFXRRINM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001574881518 992935188 /nfs/dbraw/zinc/93/51/88/992935188.db2.gz IKIOSNMYIDDGMU-OAHLLOKOSA-N 2 1 236.403 2.807 20 30 BFEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](C)CCC#N ZINC000602551617 349592866 /nfs/dbraw/zinc/59/28/66/349592866.db2.gz QNOKNAQPXVMCNJ-ZDUSSCGKSA-N 2 1 248.374 2.501 20 30 BFEDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](C)CCC#N ZINC000602551616 349593075 /nfs/dbraw/zinc/59/30/75/349593075.db2.gz QNOKNAQPXVMCNJ-CYBMUJFWSA-N 2 1 248.374 2.501 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358617047 344669623 /nfs/dbraw/zinc/66/96/23/344669623.db2.gz RKJRHYGIEAMBJQ-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358617047 344669625 /nfs/dbraw/zinc/66/96/25/344669625.db2.gz RKJRHYGIEAMBJQ-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000358617047 344669626 /nfs/dbraw/zinc/66/96/26/344669626.db2.gz RKJRHYGIEAMBJQ-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000358617047 344669628 /nfs/dbraw/zinc/66/96/28/344669628.db2.gz RKJRHYGIEAMBJQ-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](CC)C2CC2)CC1 ZINC000153041031 344735697 /nfs/dbraw/zinc/73/56/97/344735697.db2.gz DAKOVZYBBYLUGW-HNNXBMFYSA-N 2 1 236.403 2.805 20 30 BFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000586795706 346124333 /nfs/dbraw/zinc/12/43/33/346124333.db2.gz OASCPAYNGOSDFL-ZNMIVQPWSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000586795706 346124336 /nfs/dbraw/zinc/12/43/36/346124336.db2.gz OASCPAYNGOSDFL-ZNMIVQPWSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000309715269 347147446 /nfs/dbraw/zinc/14/74/46/347147446.db2.gz SODZJGPMYLGZGC-MELADBBJSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310002311 347217624 /nfs/dbraw/zinc/21/76/24/347217624.db2.gz FHMSEMZZUIKXPX-IHRRRGAJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310002311 347217627 /nfs/dbraw/zinc/21/76/27/347217627.db2.gz FHMSEMZZUIKXPX-IHRRRGAJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310517451 347291231 /nfs/dbraw/zinc/29/12/31/347291231.db2.gz VSZSOJYZPQIGBT-OLZOCXBDSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000638524810 352358656 /nfs/dbraw/zinc/35/86/56/352358656.db2.gz SJPGHUAIHVDQME-QLFBSQMISA-N 2 1 248.414 2.663 20 30 BFEDMP C=CCCC[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000398110919 324218043 /nfs/dbraw/zinc/21/80/43/324218043.db2.gz MYTTWWWENYUIIC-ZDUSSCGKSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000185347020 353793557 /nfs/dbraw/zinc/79/35/57/353793557.db2.gz XMRKYPSMCPMFLQ-CHWSQXEVSA-N 2 1 235.375 2.772 20 30 BFEDMP C=CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420299512 192206516 /nfs/dbraw/zinc/20/65/16/192206516.db2.gz GRMPLXQZMLKZBY-OAHLLOKOSA-N 2 1 244.382 2.674 20 30 BFEDMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449783090 202035555 /nfs/dbraw/zinc/03/55/55/202035555.db2.gz NEISWMYAOKCTFC-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000449783090 202035557 /nfs/dbraw/zinc/03/55/57/202035557.db2.gz NEISWMYAOKCTFC-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[NH+](CC=C)CCC[NH+]1CCCCC1 ZINC000125197807 358535736 /nfs/dbraw/zinc/53/57/36/358535736.db2.gz YFJPWCWIOUIOOA-UHFFFAOYSA-N 2 1 222.376 2.536 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000130580225 358632502 /nfs/dbraw/zinc/63/25/02/358632502.db2.gz WNOAOJORKINROC-AVOUXACISA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000130580225 358632503 /nfs/dbraw/zinc/63/25/03/358632503.db2.gz WNOAOJORKINROC-AVOUXACISA-N 2 1 236.403 2.946 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423374566 192752435 /nfs/dbraw/zinc/75/24/35/192752435.db2.gz CIXJVIPBNIZSNN-MJBXVCDLSA-N 2 1 238.419 2.955 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(C)(C)C2)CC1 ZINC000433181370 201165275 /nfs/dbraw/zinc/16/52/75/201165275.db2.gz XWYPTBOISANRME-UHFFFAOYSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C(C)C)CC1 ZINC000152967081 201215810 /nfs/dbraw/zinc/21/58/10/201215810.db2.gz ODYLWMVVCIBTRC-CYBMUJFWSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H](C)CC(C)C)CC1 ZINC000573352742 364808969 /nfs/dbraw/zinc/80/89/69/364808969.db2.gz JQHUDMYXYPFAIY-AWEZNQCLSA-N 2 1 238.419 2.909 20 30 BFEDMP C=C(C)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695891 367140696 /nfs/dbraw/zinc/14/06/96/367140696.db2.gz BHQNFUPNAQPDFV-UONOGXRCSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185695935 367141033 /nfs/dbraw/zinc/14/10/33/367141033.db2.gz BHQNFUPNAQPDFV-KGLIPLIRSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000384875299 367747658 /nfs/dbraw/zinc/74/76/58/367747658.db2.gz RYUNJVFOCMSCCJ-JHJVBQTASA-N 2 1 224.392 2.517 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182183880 385433952 /nfs/dbraw/zinc/43/39/52/385433952.db2.gz UVXYSHYZOQULCB-IHRRRGAJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182183880 385433954 /nfs/dbraw/zinc/43/39/54/385433954.db2.gz UVXYSHYZOQULCB-IHRRRGAJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423357882 387211128 /nfs/dbraw/zinc/21/11/28/387211128.db2.gz IURVXMCPBHIUFX-RDBSUJKOSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000527733586 387683190 /nfs/dbraw/zinc/68/31/90/387683190.db2.gz DGBFAZJTGLAWNI-KGLIPLIRSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000527929036 387793856 /nfs/dbraw/zinc/79/38/56/387793856.db2.gz VWIMNRWJKRFNCD-CHWSQXEVSA-N 2 1 224.392 2.661 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CCCCC1 ZINC000442632638 387810756 /nfs/dbraw/zinc/81/07/56/387810756.db2.gz FJUOAHIRKBREKZ-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000423259478 388038833 /nfs/dbraw/zinc/03/88/33/388038833.db2.gz DVTRJRRRQVCUSY-VHDGCEQUSA-N 2 1 249.402 2.566 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000453308706 388040908 /nfs/dbraw/zinc/04/09/08/388040908.db2.gz NKTQJMPDHFJHQF-MJBXVCDLSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H](C[NH3+])CCCC ZINC000423297701 388079860 /nfs/dbraw/zinc/07/98/60/388079860.db2.gz LLIFGTVMJFKYEX-STQMWFEESA-N 2 1 212.381 2.838 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000449252101 388162293 /nfs/dbraw/zinc/16/22/93/388162293.db2.gz QCIPOSHYMWGAQA-AWEZNQCLSA-N 2 1 236.403 2.973 20 30 BFEDMP C=C[C@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000489484731 388217440 /nfs/dbraw/zinc/21/74/40/388217440.db2.gz XOTHMGNMKZEFPI-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000489484731 388217442 /nfs/dbraw/zinc/21/74/42/388217442.db2.gz XOTHMGNMKZEFPI-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000489484731 388217444 /nfs/dbraw/zinc/21/74/44/388217444.db2.gz XOTHMGNMKZEFPI-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCC1(C[NH2+]C2CC[NH+](C)CC2)CCCC1 ZINC000449605700 388240505 /nfs/dbraw/zinc/24/05/05/388240505.db2.gz NXVGVFALMNCHSJ-UHFFFAOYSA-N 2 1 236.403 2.807 20 30 BFEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423262223 388690075 /nfs/dbraw/zinc/69/00/75/388690075.db2.gz MBCZXKHOAXKOCU-DOMZBBRYSA-N 2 1 245.370 2.582 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000565580171 388955154 /nfs/dbraw/zinc/95/51/54/388955154.db2.gz SUOIRMSURIHNPL-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000565580171 388955162 /nfs/dbraw/zinc/95/51/62/388955162.db2.gz SUOIRMSURIHNPL-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000565580171 388955158 /nfs/dbraw/zinc/95/51/58/388955158.db2.gz SUOIRMSURIHNPL-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000565580171 388955164 /nfs/dbraw/zinc/95/51/64/388955164.db2.gz SUOIRMSURIHNPL-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000352014245 134035667 /nfs/dbraw/zinc/03/56/67/134035667.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000352014245 134035668 /nfs/dbraw/zinc/03/56/68/134035668.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000352014245 134035669 /nfs/dbraw/zinc/03/56/69/134035669.db2.gz MLPYKZMLWWNXOE-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366536075 135088790 /nfs/dbraw/zinc/08/87/90/135088790.db2.gz YBOSFDJCQXCXDE-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000232583006 487613430 /nfs/dbraw/zinc/61/34/30/487613430.db2.gz TYUDKOLTJFYYHL-LSDHHAIUSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCC[C@H](CC)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275399672 166301698 /nfs/dbraw/zinc/30/16/98/166301698.db2.gz CJQYZRWBHVPLLD-KBPBESRZSA-N 2 1 247.386 2.780 20 30 BFEDMP C=CC[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661382130 410596917 /nfs/dbraw/zinc/59/69/17/410596917.db2.gz SKRQBZIWPIZSEL-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000661382130 410596922 /nfs/dbraw/zinc/59/69/22/410596922.db2.gz SKRQBZIWPIZSEL-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000661382130 410596927 /nfs/dbraw/zinc/59/69/27/410596927.db2.gz SKRQBZIWPIZSEL-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661382131 410597370 /nfs/dbraw/zinc/59/73/70/410597370.db2.gz SKRQBZIWPIZSEL-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000661382131 410597375 /nfs/dbraw/zinc/59/73/75/410597375.db2.gz SKRQBZIWPIZSEL-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000661382131 410597379 /nfs/dbraw/zinc/59/73/79/410597379.db2.gz SKRQBZIWPIZSEL-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000651667772 411134095 /nfs/dbraw/zinc/13/40/95/411134095.db2.gz QZIYKZOPXCZRFI-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CC)CC2)C1 ZINC000651667773 411134351 /nfs/dbraw/zinc/13/43/51/411134351.db2.gz QZIYKZOPXCZRFI-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000651725676 411138900 /nfs/dbraw/zinc/13/89/00/411138900.db2.gz MBXIAOKBOMCQOB-LJISPDSOSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000651725676 411138901 /nfs/dbraw/zinc/13/89/01/411138901.db2.gz MBXIAOKBOMCQOB-LJISPDSOSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000651822757 411146055 /nfs/dbraw/zinc/14/60/55/411146055.db2.gz JOKXSSJGLNAFDM-MGLUKCQKSA-N 2 1 248.414 2.946 20 30 BFEDMP C=CC[NH+](CC[C@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000661760270 411871296 /nfs/dbraw/zinc/87/12/96/411871296.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C ZINC000661760270 411871302 /nfs/dbraw/zinc/87/13/02/411871302.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@H+](CC[C@H]1CCC[NH+]1C)C(C)(C)C ZINC000661760270 411871305 /nfs/dbraw/zinc/87/13/05/411871305.db2.gz OTYBGZKYRJLKRN-CYBMUJFWSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCn1cc[nH+]c1C ZINC000662087829 411982357 /nfs/dbraw/zinc/98/23/57/411982357.db2.gz MHXDZNGSEYPYOX-GASCZTMLSA-N 2 1 245.370 2.765 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCCn1cc[nH+]c1C ZINC000662087829 411982360 /nfs/dbraw/zinc/98/23/60/411982360.db2.gz MHXDZNGSEYPYOX-GASCZTMLSA-N 2 1 245.370 2.765 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662299093 412087768 /nfs/dbraw/zinc/08/77/68/412087768.db2.gz KGHLXVGHKUNRQK-OAHLLOKOSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000651681174 487816887 /nfs/dbraw/zinc/81/68/87/487816887.db2.gz GGCVVDLFJGJSCH-ILXRZTDVSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)C1 ZINC000651681176 487817001 /nfs/dbraw/zinc/81/70/01/487817001.db2.gz GGCVVDLFJGJSCH-QLFBSQMISA-N 2 1 236.403 2.663 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000358497836 534396568 /nfs/dbraw/zinc/39/65/68/534396568.db2.gz LHXMLKFNKSMUOR-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000338342210 534695583 /nfs/dbraw/zinc/69/55/83/534695583.db2.gz HNHUMAVKLKGDRM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C[C@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC000338342210 534695584 /nfs/dbraw/zinc/69/55/84/534695584.db2.gz HNHUMAVKLKGDRM-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354226540 534714146 /nfs/dbraw/zinc/71/41/46/534714146.db2.gz WOCMQRKKJRHYHP-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226540 534714147 /nfs/dbraw/zinc/71/41/47/534714147.db2.gz WOCMQRKKJRHYHP-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226540 534714151 /nfs/dbraw/zinc/71/41/51/534714151.db2.gz WOCMQRKKJRHYHP-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[NH+]1CCCC2(CCC[N@@H+](CC=C)C2)C1 ZINC000368238739 534847866 /nfs/dbraw/zinc/84/78/66/534847866.db2.gz CEZCCLYUAQSDAC-UHFFFAOYSA-N 2 1 234.387 2.536 20 30 BFEDMP C=CC[NH+]1CCCC2(CCC[N@H+](CC=C)C2)C1 ZINC000368238739 534847868 /nfs/dbraw/zinc/84/78/68/534847868.db2.gz CEZCCLYUAQSDAC-UHFFFAOYSA-N 2 1 234.387 2.536 20 30 BFEDMP CCCCCCCC[N@@H+](C)C[C@H](C)[NH3+] ZINC000111221314 582980489 /nfs/dbraw/zinc/98/04/89/582980489.db2.gz ODNCFUYHPQFDPL-LBPRGKRZSA-N 2 1 200.370 2.626 20 30 BFEDMP C#CCCCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000878511244 583378389 /nfs/dbraw/zinc/37/83/89/583378389.db2.gz BTYIENKHYWTVBJ-OAHLLOKOSA-N 2 1 236.403 2.596 20 30 BFEDMP C#CCCCCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000878661522 583390759 /nfs/dbraw/zinc/39/07/59/583390759.db2.gz DJFPNLFZZZKSJR-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878661522 583390761 /nfs/dbraw/zinc/39/07/61/583390761.db2.gz DJFPNLFZZZKSJR-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000878661522 583390762 /nfs/dbraw/zinc/39/07/62/583390762.db2.gz DJFPNLFZZZKSJR-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716545 584791801 /nfs/dbraw/zinc/79/18/01/584791801.db2.gz OSSLPZTYKPOBQZ-KGLIPLIRSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@](C[NH3+])([NH2+]CCCCC1(C#N)CCC1)C1CC1 ZINC000903716872 584791980 /nfs/dbraw/zinc/79/19/80/584791980.db2.gz CVDNFAXYNLCDIS-CQSZACIVSA-N 2 1 249.402 2.568 20 30 BFEDMP C[C@]1(C[NH3+])CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903747218 584795066 /nfs/dbraw/zinc/79/50/66/584795066.db2.gz PSZWJVILIFBBJS-CQSZACIVSA-N 2 1 249.402 2.521 20 30 BFEDMP C=CC[N@H+](CCC[NH+]1CCCCC1)C(C)C ZINC000781883591 585804880 /nfs/dbraw/zinc/80/48/80/585804880.db2.gz AEKQYHGBDBMFQS-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP CC[C@H](C)CO[NH+]=Cc1c[nH+]ccc1N(C)C ZINC000793146808 586011735 /nfs/dbraw/zinc/01/17/35/586011735.db2.gz VKTHITCJHWKTLB-NSHDSACASA-N 2 1 235.331 2.544 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC=C(C)C ZINC000815652648 586690689 /nfs/dbraw/zinc/69/06/89/586690689.db2.gz LFFFGEKLAVUCSX-HNNXBMFYSA-N 2 1 236.403 2.666 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC=C(C)C ZINC000815652648 586690690 /nfs/dbraw/zinc/69/06/90/586690690.db2.gz LFFFGEKLAVUCSX-HNNXBMFYSA-N 2 1 236.403 2.666 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000817960248 586852086 /nfs/dbraw/zinc/85/20/86/586852086.db2.gz LATMVWDTBKJFNW-GXTWGEPZSA-N 2 1 224.392 2.838 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC000109198127 588530945 /nfs/dbraw/zinc/53/09/45/588530945.db2.gz CFGNKHKGWATEIH-CYBMUJFWSA-N 2 1 212.381 2.641 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC000109198127 588530947 /nfs/dbraw/zinc/53/09/47/588530947.db2.gz CFGNKHKGWATEIH-CYBMUJFWSA-N 2 1 212.381 2.641 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866703278 589513600 /nfs/dbraw/zinc/51/36/00/589513600.db2.gz HWXYPUMJUIAKFS-AWEZNQCLSA-N 2 1 224.392 2.650 20 30 BFEDMP C#CCCCCCC[NH2+]C1CC[NH+](CC=C)CC1 ZINC000877009001 590268676 /nfs/dbraw/zinc/26/86/76/590268676.db2.gz DQKDLHIKOAHLQE-UHFFFAOYSA-N 2 1 248.414 2.810 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149352 590505779 /nfs/dbraw/zinc/50/57/79/590505779.db2.gz WHNVUELNVTWUSW-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580459 590821799 /nfs/dbraw/zinc/82/17/99/590821799.db2.gz HXVYRTHFZVSQSN-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879580459 590821801 /nfs/dbraw/zinc/82/18/01/590821801.db2.gz HXVYRTHFZVSQSN-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580459 590821804 /nfs/dbraw/zinc/82/18/04/590821804.db2.gz HXVYRTHFZVSQSN-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879580459 590821808 /nfs/dbraw/zinc/82/18/08/590821808.db2.gz HXVYRTHFZVSQSN-GJZGRUSLSA-N 2 1 236.403 2.759 20 30 BFEDMP C#CCC[NH+]1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000880255466 590979166 /nfs/dbraw/zinc/97/91/66/590979166.db2.gz LZXOHDWTZMYYQZ-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000129030814 591208290 /nfs/dbraw/zinc/20/82/90/591208290.db2.gz FWIZURZHNFLWNO-STQMWFEESA-N 2 1 212.381 2.768 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000883429437 591660866 /nfs/dbraw/zinc/66/08/66/591660866.db2.gz VWMPRSDTIGLGLK-SOUVJXGZSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@H](C)[N@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000883433685 591664252 /nfs/dbraw/zinc/66/42/52/591664252.db2.gz WTCSYBYXWUNXRP-TUKIKUTGSA-N 2 1 248.345 2.517 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1C[C@@H](c2cccc(F)c2)[C@H](N)C1 ZINC000883433685 591664253 /nfs/dbraw/zinc/66/42/53/591664253.db2.gz WTCSYBYXWUNXRP-TUKIKUTGSA-N 2 1 248.345 2.517 20 30 BFEDMP C=C(C)C[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886665810 592296008 /nfs/dbraw/zinc/29/60/08/592296008.db2.gz GWMVABFOSVHBSJ-UHFFFAOYSA-N 2 1 233.359 2.782 20 30 BFEDMP C=C(CC)C[NH+]1CCC(CC)([NH+]2CCC2)CC1 ZINC000886716466 592310270 /nfs/dbraw/zinc/31/02/70/592310270.db2.gz ZUPYWSHMFBONFF-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H](C[NH2+]C)C1 ZINC000104460053 592613701 /nfs/dbraw/zinc/61/37/01/592613701.db2.gz PCBHUQJIPCXPRG-CQSZACIVSA-N 2 1 226.408 2.888 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000933740985 631498701 /nfs/dbraw/zinc/49/87/01/631498701.db2.gz YNHQSMQRCMPDTD-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933740985 631498707 /nfs/dbraw/zinc/49/87/07/631498707.db2.gz YNHQSMQRCMPDTD-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@@H]2C[N@@H+](C)C[C@]2(C)C1 ZINC000933740985 631498711 /nfs/dbraw/zinc/49/87/11/631498711.db2.gz YNHQSMQRCMPDTD-LSDHHAIUSA-N 2 1 238.419 2.840 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1C/C=C\C[N@@H+]1CC[C@@H]1CC=C ZINC000934460562 631848708 /nfs/dbraw/zinc/84/87/08/631848708.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1C/C=C\C[NH+]1CC[C@@H]1CC=C ZINC000934460562 631848716 /nfs/dbraw/zinc/84/87/16/631848716.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1C/C=C\C[NH+]1CC[C@@H]1CC=C ZINC000934460562 631848721 /nfs/dbraw/zinc/84/87/21/631848721.db2.gz QKURHOQXYWTULU-HNXFAEETSA-N 2 1 246.398 2.843 20 30 BFEDMP CCCCCCC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000308824972 631865957 /nfs/dbraw/zinc/86/59/57/631865957.db2.gz KQEOFIXAZFVJNR-CYBMUJFWSA-N 2 1 214.397 2.920 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@@]1(C)CCC[NH2+]C1 ZINC000904471523 637426022 /nfs/dbraw/zinc/42/60/22/637426022.db2.gz IFORXMQKCHBFEW-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCCCC[NH+]1C[C@@]2(C)C[N@@H+](C)C[C@@]2(C)C1 ZINC000931315112 640151215 /nfs/dbraw/zinc/15/12/15/640151215.db2.gz UUJRDMJXKQNWHK-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[NH+]1C[C@@]2(C)C[N@H+](C)C[C@@]2(C)C1 ZINC000931315112 640151230 /nfs/dbraw/zinc/15/12/30/640151230.db2.gz UUJRDMJXKQNWHK-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315112 640151237 /nfs/dbraw/zinc/15/12/37/640151237.db2.gz UUJRDMJXKQNWHK-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1C[C@@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931315112 640151246 /nfs/dbraw/zinc/15/12/46/640151246.db2.gz UUJRDMJXKQNWHK-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C ZINC000931620163 640286710 /nfs/dbraw/zinc/28/67/10/640286710.db2.gz FANIMYIWIATTDU-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000931717518 640333635 /nfs/dbraw/zinc/33/36/35/640333635.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000931717518 640333642 /nfs/dbraw/zinc/33/36/42/640333642.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000931717518 640333646 /nfs/dbraw/zinc/33/36/46/640333646.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931717518 640333652 /nfs/dbraw/zinc/33/36/52/640333652.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000931717518 640333655 /nfs/dbraw/zinc/33/36/55/640333655.db2.gz INFVSGQFNHVUFS-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCC1([NH2+]CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC000933265053 642433067 /nfs/dbraw/zinc/43/30/67/642433067.db2.gz QAJXYCXPNFVSDT-OAHLLOKOSA-N 2 1 248.414 2.787 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703702286 712084269 /nfs/dbraw/zinc/08/42/69/712084269.db2.gz WEOMSQWDGRWKLF-LSDHHAIUSA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000390150456 711107682 /nfs/dbraw/zinc/10/76/82/711107682.db2.gz TYPHTABDUWBQCZ-ZIAGYGMSSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000390150454 711107695 /nfs/dbraw/zinc/10/76/95/711107695.db2.gz TYPHTABDUWBQCZ-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C[N@@H+](CCCCCC[NH3+])Cc1ccccc1C#N ZINC000710764467 712256664 /nfs/dbraw/zinc/25/66/64/712256664.db2.gz GZGILNYPRWYSSX-UHFFFAOYSA-N 2 1 245.370 2.509 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188246 978992865 /nfs/dbraw/zinc/99/28/65/978992865.db2.gz NANJZVWAHTVVOF-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCCC[N@H+]1C[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235188246 978992869 /nfs/dbraw/zinc/99/28/69/978992869.db2.gz NANJZVWAHTVVOF-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235978858 979234927 /nfs/dbraw/zinc/23/49/27/979234927.db2.gz KRBPRIIODVQPFI-LSDHHAIUSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435135 979580353 /nfs/dbraw/zinc/58/03/53/979580353.db2.gz SOLBIEXAUJXIKK-AWEZNQCLSA-N 2 1 242.382 2.886 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])CC1 ZINC001205602755 981171481 /nfs/dbraw/zinc/17/14/81/981171481.db2.gz MESLOUNBGLMCGY-ZIAGYGMSSA-N 2 1 224.392 2.650 20 30 BFEDMP C=C(C)C[N@H+](CC)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001256628540 970892179 /nfs/dbraw/zinc/89/21/79/970892179.db2.gz JDJZJYDAWLPUHS-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001256628540 970892188 /nfs/dbraw/zinc/89/21/88/970892188.db2.gz JDJZJYDAWLPUHS-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001256628540 970892190 /nfs/dbraw/zinc/89/21/90/970892190.db2.gz JDJZJYDAWLPUHS-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP CCCCCCC[C@H](CC)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172351838 974620386 /nfs/dbraw/zinc/62/03/86/974620386.db2.gz WIEYSWRJWGAHFH-YNEHKIRRSA-N 2 1 212.381 2.815 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@@H]1CC[NH+]1CCCC1 ZINC001209265672 957369944 /nfs/dbraw/zinc/36/99/44/957369944.db2.gz CXRWBOMNMMADLW-MRXNPFEDSA-N 2 1 248.414 2.740 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+][C@H](C)CC2)CC1 ZINC001210474981 957759565 /nfs/dbraw/zinc/75/95/65/957759565.db2.gz JTLHEYVQIVZXPS-GDBMZVCRSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+][C@H](C)CC2)CC1 ZINC001210474981 957759568 /nfs/dbraw/zinc/75/95/68/957759568.db2.gz JTLHEYVQIVZXPS-GDBMZVCRSA-N 2 1 248.414 2.973 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@@]2(CCCC[NH2+]C2)C1 ZINC001222162069 972402427 /nfs/dbraw/zinc/40/24/27/972402427.db2.gz XFIXSBSDLBWSCS-MRXNPFEDSA-N 2 1 248.414 2.646 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001222265259 972430821 /nfs/dbraw/zinc/43/08/21/972430821.db2.gz QGIRLLBFDNLPGQ-HNNXBMFYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=C(C)C[N@H+](CC)C1CC[NH+](CC2CC2)CC1 ZINC001168387608 965114182 /nfs/dbraw/zinc/11/41/82/965114182.db2.gz MJEHLXJEBXMWKJ-UHFFFAOYSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@H]([NH3+])C1 ZINC001235361480 966042870 /nfs/dbraw/zinc/04/28/70/966042870.db2.gz GEJTUVYUFAKMEU-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@H]([NH3+])C1 ZINC001235361480 966042881 /nfs/dbraw/zinc/04/28/81/966042881.db2.gz GEJTUVYUFAKMEU-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235978260 966187313 /nfs/dbraw/zinc/18/73/13/966187313.db2.gz JMBYZBFNZWEDQL-ZIAGYGMSSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC001204877452 967212499 /nfs/dbraw/zinc/21/24/99/967212499.db2.gz JECIZLWIWIAXKD-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC001204877452 967212506 /nfs/dbraw/zinc/21/25/06/967212506.db2.gz JECIZLWIWIAXKD-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001205257940 967451097 /nfs/dbraw/zinc/45/10/97/967451097.db2.gz YUUPVMSDYXQTOS-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@](F)(C[NH3+])CC1 ZINC001205546658 967661282 /nfs/dbraw/zinc/66/12/82/967661282.db2.gz YBMZPAGWBNEFQZ-CQSZACIVSA-N 2 1 242.382 2.886 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153176 968090232 /nfs/dbraw/zinc/09/02/32/968090232.db2.gz CDBHTASNIVHTEZ-KGLIPLIRSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206153176 968090237 /nfs/dbraw/zinc/09/02/37/968090237.db2.gz CDBHTASNIVHTEZ-KGLIPLIRSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC001256201566 970696176 /nfs/dbraw/zinc/69/61/76/970696176.db2.gz HNKNRIKOSAGUNX-MRXNPFEDSA-N 2 1 244.382 2.988 20 30 BFEDMP C[N@@H+]1[C@@H]2CCC[C@H]1C[C@H]([NH2+]CC#CC(C)(C)C)C2 ZINC001172119229 974380758 /nfs/dbraw/zinc/38/07/58/974380758.db2.gz WKIAHKCSHHUYMO-QKDCVEJESA-N 2 1 248.414 2.641 20 30 BFEDMP CCCC[N@@H+](C)CCC[NH2+][C@H](C)CCCC#N ZINC001172480375 974780245 /nfs/dbraw/zinc/78/02/45/974780245.db2.gz STLHCSOYLQFOBI-CQSZACIVSA-N 2 1 239.407 2.780 20 30 BFEDMP C[C@H](CCCC#N)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001172499557 974852232 /nfs/dbraw/zinc/85/22/32/974852232.db2.gz YHNBMICHOAXGFG-GFCCVEGCSA-N 2 1 246.358 2.605 20 30 BFEDMP C[N@H+]1CCC[C@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588395 975435473 /nfs/dbraw/zinc/43/54/73/975435473.db2.gz CKHFKLFCLPNTOJ-SLTAFYQDSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@H]1CC[NH+]1CC(C)C[N@H+]1CC[C@@H]1CC=C ZINC001333478224 975804357 /nfs/dbraw/zinc/80/43/57/975804357.db2.gz FYOSGBCZWWRDBJ-HOTGVXAUSA-N 2 1 248.414 2.923 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001234978238 978938862 /nfs/dbraw/zinc/93/88/62/978938862.db2.gz HMRNZUCRSAYEDP-GASCZTMLSA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCCC[N@@H+](C)C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001235663749 979112161 /nfs/dbraw/zinc/11/21/61/979112161.db2.gz KEOQHWCFOLSFHZ-FICVDOATSA-N 2 1 238.419 2.744 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC001235724910 979136977 /nfs/dbraw/zinc/13/69/77/979136977.db2.gz LANUVIMGKBBJTN-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235724910 979136984 /nfs/dbraw/zinc/13/69/84/979136984.db2.gz LANUVIMGKBBJTN-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235980564 979248779 /nfs/dbraw/zinc/24/87/79/979248779.db2.gz QJOARDXCWLJCCM-KBPBESRZSA-N 2 1 224.392 2.770 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@@H](C)C[C@H]([NH3+])C1 ZINC001236043676 979339481 /nfs/dbraw/zinc/33/94/81/979339481.db2.gz DDJHCZCSXFFSNZ-KBPBESRZSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCC[N@H+](C)CC[C@@H]1CCCC[NH2+]1 ZINC001236085572 979374550 /nfs/dbraw/zinc/37/45/50/979374550.db2.gz SGFIKLUGJUQCMJ-AWEZNQCLSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236435135 979580345 /nfs/dbraw/zinc/58/03/45/979580345.db2.gz SOLBIEXAUJXIKK-AWEZNQCLSA-N 2 1 242.382 2.886 20 30 BFEDMP C=CCCCCC[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001205763335 982414942 /nfs/dbraw/zinc/41/49/42/982414942.db2.gz PCBSRYPKLVKNRF-LBPRGKRZSA-N 2 1 246.345 2.649 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@@H](C)C1 ZINC001205985081 984299925 /nfs/dbraw/zinc/29/99/25/984299925.db2.gz VQMAQSPKKOMDKZ-UONOGXRCSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258732733 986075353 /nfs/dbraw/zinc/07/53/53/986075353.db2.gz PLAKBKUTQCGTRM-AWEZNQCLSA-N 2 1 236.403 2.759 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@@]3(C)CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246190629 987580253 /nfs/dbraw/zinc/58/02/53/987580253.db2.gz QKOZEXRAJYNMTM-QXULXFAOSA-N 2 1 248.414 2.853 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC001246213112 987609978 /nfs/dbraw/zinc/60/99/78/987609978.db2.gz YRKRAGICFQDKIP-GFCCVEGCSA-N 2 1 212.381 2.816 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+]C3(C[NH3+])CCCC3)C[C@H](C1)C2 ZINC001246280095 987671974 /nfs/dbraw/zinc/67/19/74/987671974.db2.gz RDOHYOPOBZRGEY-YIONKMFJSA-N 2 1 248.414 2.982 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@H]3C[NH2+]CC[C@@H]3C)C[C@H](C1)C2 ZINC001246325379 987730442 /nfs/dbraw/zinc/73/04/42/987730442.db2.gz JZSREYUBRPESGV-DRFQVBMSSA-N 2 1 248.414 2.709 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@H](C)[C@H](C[NH3+])C3)C[C@H](C1)C2 ZINC001246539284 987904764 /nfs/dbraw/zinc/90/47/64/987904764.db2.gz GXIVLVSYMHXSKF-FIZKIRAISA-N 2 1 248.414 2.648 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246573124 988071535 /nfs/dbraw/zinc/07/15/35/988071535.db2.gz GGCIOMKCQLSECG-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001246573057 988074537 /nfs/dbraw/zinc/07/45/37/988074537.db2.gz YSOQYTDRBZJMJF-HZSPNIEDSA-N 2 1 224.392 2.648 20 30 BFEDMP CC1(C#N)CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246580358 988114129 /nfs/dbraw/zinc/11/41/29/988114129.db2.gz FZCLRUFGKGPQIJ-WLYUNCDWSA-N 2 1 249.402 2.520 20 30 BFEDMP CC1(C#N)CCC([N@H+]2CCCC[C@@H](C[NH3+])C2)CC1 ZINC001246580356 988116067 /nfs/dbraw/zinc/11/60/67/988116067.db2.gz FZCLRUFGKGPQIJ-NFOMZHRRSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001246594336 988188829 /nfs/dbraw/zinc/18/88/29/988188829.db2.gz PZPVMWLADPAYHG-UONOGXRCSA-N 2 1 237.391 2.520 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]CC[C@@H]43)C[C@H](C1)C2 ZINC001246666956 988411077 /nfs/dbraw/zinc/41/10/77/988411077.db2.gz SXZIFYJYTXBZJD-FVPDABNVSA-N 2 1 246.398 2.558 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@@H](C)CC[NH2+]C ZINC001246838049 988539681 /nfs/dbraw/zinc/53/96/81/988539681.db2.gz AJTIQPHKMDAYGZ-AWEZNQCLSA-N 2 1 232.371 2.673 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H](C)CC[NH2+]C ZINC001246838049 988539690 /nfs/dbraw/zinc/53/96/90/988539690.db2.gz AJTIQPHKMDAYGZ-AWEZNQCLSA-N 2 1 232.371 2.673 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)C1 ZINC001560623177 991527047 /nfs/dbraw/zinc/52/70/47/991527047.db2.gz QXERVOGKGJECJG-OLMNGRFOSA-N 2 1 248.414 2.661 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258722286 991655303 /nfs/dbraw/zinc/65/53/03/991655303.db2.gz FYUCJCJFAKRDPH-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258722286 991655309 /nfs/dbraw/zinc/65/53/09/991655309.db2.gz FYUCJCJFAKRDPH-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C#CC1([NH2+]C2CC[NH+](CCC)CC2)CCCCC1 ZINC001258771065 991729702 /nfs/dbraw/zinc/72/97/02/991729702.db2.gz UEVBVEBLGXMCLG-UHFFFAOYSA-N 2 1 248.414 2.787 20 30 BFEDMP CCCCCCCC[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000382756614 993468050 /nfs/dbraw/zinc/46/80/50/993468050.db2.gz QELSGEJGUFFDCG-AWEZNQCLSA-N 2 1 226.408 2.888 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379780 398189197 /nfs/dbraw/zinc/18/91/97/398189197.db2.gz HJLFDKGYSPANQQ-AWEZNQCLSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@H]([NH2+]C(C)C)C1 ZINC000649379780 398189199 /nfs/dbraw/zinc/18/91/99/398189199.db2.gz HJLFDKGYSPANQQ-AWEZNQCLSA-N 2 1 224.392 2.805 20 30 BFEDMP CC[C@@H](C[NH2+]C1CCC(C#N)CC1)[NH+]1CCCC1 ZINC000602508628 349584595 /nfs/dbraw/zinc/58/45/95/349584595.db2.gz OJXWCIUJIVYZCQ-NRXISQOPSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247270395 323012623 /nfs/dbraw/zinc/01/26/23/323012623.db2.gz WEFIHSTZDKGVBT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247270395 323012624 /nfs/dbraw/zinc/01/26/24/323012624.db2.gz WEFIHSTZDKGVBT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000247270395 323012625 /nfs/dbraw/zinc/01/26/25/323012625.db2.gz WEFIHSTZDKGVBT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000586795704 346124081 /nfs/dbraw/zinc/12/40/81/346124081.db2.gz OASCPAYNGOSDFL-KFWWJZLASA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000586795704 346124086 /nfs/dbraw/zinc/12/40/86/346124086.db2.gz OASCPAYNGOSDFL-KFWWJZLASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000390432833 259388467 /nfs/dbraw/zinc/38/84/67/259388467.db2.gz AUIVBIHRDPJOMO-MCIONIFRSA-N 2 1 226.408 2.907 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000309715270 347146762 /nfs/dbraw/zinc/14/67/62/347146762.db2.gz SODZJGPMYLGZGC-MJBXVCDLSA-N 2 1 222.376 2.558 20 30 BFEDMP C=C[C@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119322341 347286476 /nfs/dbraw/zinc/28/64/76/347286476.db2.gz VSNXFKNQGKFCGE-AWEZNQCLSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000340430522 347521478 /nfs/dbraw/zinc/52/14/78/347521478.db2.gz XPZIIEPMIZWHEM-STQMWFEESA-N 2 1 224.392 2.519 20 30 BFEDMP C[N@@H+](CCCn1ccnc1)CC(C)(C)CCC#N ZINC000290512825 352229169 /nfs/dbraw/zinc/22/91/69/352229169.db2.gz PQYRSUIJYALAMW-UHFFFAOYSA-N 2 1 248.374 2.535 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]CC2(C(C)C)CC2)CC1 ZINC000638524698 352358922 /nfs/dbraw/zinc/35/89/22/352358922.db2.gz RDXYHWCTCREALA-UHFFFAOYSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000230658230 363317197 /nfs/dbraw/zinc/31/71/97/363317197.db2.gz JGDAMTPRBGCAHI-ZDUSSCGKSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000230660536 363317692 /nfs/dbraw/zinc/31/76/92/363317692.db2.gz PDPVRBHAKXPFFT-STQMWFEESA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000230660536 363317694 /nfs/dbraw/zinc/31/76/94/363317694.db2.gz PDPVRBHAKXPFFT-STQMWFEESA-N 2 1 212.381 2.661 20 30 BFEDMP C=C(C)C[NH+](C)C/C=C\C[N@H+](C)CC(=C)C ZINC000351106050 355948862 /nfs/dbraw/zinc/94/88/62/355948862.db2.gz WYLNPYRVYWANKL-FPLPWBNLSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCCCC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000582706973 357375063 /nfs/dbraw/zinc/37/50/63/357375063.db2.gz XMZMLYBLHNAARK-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000367847590 134216461 /nfs/dbraw/zinc/21/64/61/134216461.db2.gz GLBHGSCZVDCQJC-HNNXBMFYSA-N 2 1 238.419 2.984 20 30 BFEDMP CCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367847590 134216462 /nfs/dbraw/zinc/21/64/62/134216462.db2.gz GLBHGSCZVDCQJC-HNNXBMFYSA-N 2 1 238.419 2.984 20 30 BFEDMP CCCCCCC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367847590 134216463 /nfs/dbraw/zinc/21/64/63/134216463.db2.gz GLBHGSCZVDCQJC-HNNXBMFYSA-N 2 1 238.419 2.984 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370676413 134226760 /nfs/dbraw/zinc/22/67/60/134226760.db2.gz KMYHTZJHEHCOTQ-SOUVJXGZSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000126762473 358554597 /nfs/dbraw/zinc/55/45/97/358554597.db2.gz ULJXDPJEROFSLK-BFHYXJOUSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000126762473 358554598 /nfs/dbraw/zinc/55/45/98/358554598.db2.gz ULJXDPJEROFSLK-BFHYXJOUSA-N 2 1 222.376 2.558 20 30 BFEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135151060 358822176 /nfs/dbraw/zinc/82/21/76/358822176.db2.gz OPNWZQGDZXMODN-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134862240 358808593 /nfs/dbraw/zinc/80/85/93/358808593.db2.gz HZSIWKAWFBOODQ-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862240 358808594 /nfs/dbraw/zinc/80/85/94/358808594.db2.gz HZSIWKAWFBOODQ-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134862240 358808599 /nfs/dbraw/zinc/80/85/99/358808599.db2.gz HZSIWKAWFBOODQ-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C[C@@H]([NH2+]CCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706053 367140588 /nfs/dbraw/zinc/14/05/88/367140588.db2.gz QNWNALLZGMATJI-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000381034453 367337774 /nfs/dbraw/zinc/33/77/74/367337774.db2.gz CJTQXDMSKBABHU-RDBSUJKOSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000381034453 367337779 /nfs/dbraw/zinc/33/77/79/367337779.db2.gz CJTQXDMSKBABHU-RDBSUJKOSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122207 371323401 /nfs/dbraw/zinc/32/34/01/371323401.db2.gz MERPKMSJODHBGS-KGLIPLIRSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309780056 384832535 /nfs/dbraw/zinc/83/25/35/384832535.db2.gz QVTHASRUWWUONO-XUXIUFHCSA-N 2 1 224.392 2.659 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309780056 384832538 /nfs/dbraw/zinc/83/25/38/384832538.db2.gz QVTHASRUWWUONO-XUXIUFHCSA-N 2 1 224.392 2.659 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000340430520 385060872 /nfs/dbraw/zinc/06/08/72/385060872.db2.gz XPZIIEPMIZWHEM-OLZOCXBDSA-N 2 1 224.392 2.519 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000182183843 385434649 /nfs/dbraw/zinc/43/46/49/385434649.db2.gz UVXYSHYZOQULCB-MELADBBJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000182183843 385434653 /nfs/dbraw/zinc/43/46/53/385434653.db2.gz UVXYSHYZOQULCB-MELADBBJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830038 386706045 /nfs/dbraw/zinc/70/60/45/386706045.db2.gz AJVRBCVKMHLHES-GXTWGEPZSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000120117172 387174616 /nfs/dbraw/zinc/17/46/16/387174616.db2.gz YRRYXFJRKYKJGP-BBRMVZONSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H]1CC[N@H+](CC)C1)C1CC1 ZINC000120282073 387184148 /nfs/dbraw/zinc/18/41/48/387184148.db2.gz QJLMPXHTBAPJIS-ZFWWWQNUSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357175 387208391 /nfs/dbraw/zinc/20/83/91/387208391.db2.gz HWXLZLLYJCNLSZ-MELADBBJSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@H]([NH2+]CCC[NH2+]CC)c1ccco1 ZINC000643499035 387284542 /nfs/dbraw/zinc/28/45/42/387284542.db2.gz NPBGMLJTFXQAHS-ZDUSSCGKSA-N 2 1 236.359 2.876 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502579 387365323 /nfs/dbraw/zinc/36/53/23/387365323.db2.gz KNNJBLUEXSJEIC-ZIAGYGMSSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643502578 387365503 /nfs/dbraw/zinc/36/55/03/387365503.db2.gz KNNJBLUEXSJEIC-UONOGXRCSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CCC[C@@H](CCC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501229 387350483 /nfs/dbraw/zinc/35/04/83/387350483.db2.gz AQKKOTGNXHFWIK-ZIAGYGMSSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000527927057 387792897 /nfs/dbraw/zinc/79/28/97/387792897.db2.gz QYVMUGHDMGGTQL-QWHCGFSZSA-N 2 1 224.392 2.519 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000527929771 387795007 /nfs/dbraw/zinc/79/50/07/387795007.db2.gz WLGMXILEERPNCO-HZSPNIEDSA-N 2 1 238.419 2.907 20 30 BFEDMP C=C[C@H](C)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422993664 387803240 /nfs/dbraw/zinc/80/32/40/387803240.db2.gz TVKNAJJULJLJAD-AEGPPILISA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423052618 387860252 /nfs/dbraw/zinc/86/02/52/387860252.db2.gz QDXGEHFKCSMNOF-NSHDSACASA-N 2 1 219.332 2.501 20 30 BFEDMP C=CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423154299 387931684 /nfs/dbraw/zinc/93/16/84/387931684.db2.gz JJKVINBIJNDGTB-ZIAGYGMSSA-N 2 1 236.403 2.711 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000438977676 387970117 /nfs/dbraw/zinc/97/01/17/387970117.db2.gz LGYWKMRPQXFDAP-SNPRPXQTSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000438977676 387970123 /nfs/dbraw/zinc/97/01/23/387970123.db2.gz LGYWKMRPQXFDAP-SNPRPXQTSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000453308705 388041206 /nfs/dbraw/zinc/04/12/06/388041206.db2.gz NKTQJMPDHFJHQF-MGPQQGTHSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@H](C[NH3+])CC(C)C ZINC000423263990 388042667 /nfs/dbraw/zinc/04/26/67/388042667.db2.gz PIEQFKVVWQRKQM-OLZOCXBDSA-N 2 1 212.381 2.694 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)c1ccco1 ZINC000423277340 388058850 /nfs/dbraw/zinc/05/88/50/388058850.db2.gz PXCNQXMAWBWTFI-QWHCGFSZSA-N 2 1 236.359 2.732 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561235 388232736 /nfs/dbraw/zinc/23/27/36/388232736.db2.gz SPIQVAWRLYKCBU-MLQJFRMTSA-N 2 1 236.403 2.802 20 30 BFEDMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423289288 388689498 /nfs/dbraw/zinc/68/94/98/388689498.db2.gz WRXFIFYRLLSUSE-GFCCVEGCSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000228825041 388774317 /nfs/dbraw/zinc/77/43/17/388774317.db2.gz CXPMFIJUJOEGIW-ZIAGYGMSSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000554883054 388834601 /nfs/dbraw/zinc/83/46/01/388834601.db2.gz TYLGLPYNFDKUBT-RRFJBIMHSA-N 2 1 238.419 2.907 20 30 BFEDMP C=C(C)C[NH+](C)C/C=C/C[N@H+](C)CC(=C)C ZINC000181251308 533495253 /nfs/dbraw/zinc/49/52/53/533495253.db2.gz WYLNPYRVYWANKL-BQYQJAHWSA-N 2 1 222.376 2.558 20 30 BFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](C#N)C1)[NH+]1CCCC1 ZINC000248763167 135021981 /nfs/dbraw/zinc/02/19/81/135021981.db2.gz GSRBYFMBYQNLIV-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000252803950 135110633 /nfs/dbraw/zinc/11/06/33/135110633.db2.gz CJOUAFWDJLAVJZ-MJBXVCDLSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCCCCC[N@H+](C)C[C@]1(C)CC[NH2+]C1 ZINC000340702279 135227580 /nfs/dbraw/zinc/22/75/80/135227580.db2.gz YLMMOMIBVPOISE-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC2(C)C)CC1 ZINC000342705055 135312079 /nfs/dbraw/zinc/31/20/79/135312079.db2.gz ZTYSOYCXZQTCJA-CQSZACIVSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC(CC)C2)CC1 ZINC000342702934 135312316 /nfs/dbraw/zinc/31/23/16/135312316.db2.gz VEUFNKUTKCGKKY-UHFFFAOYSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000232581906 487613719 /nfs/dbraw/zinc/61/37/19/487613719.db2.gz TYUDKOLTJFYYHL-HUUCEWRRSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000651693382 411137031 /nfs/dbraw/zinc/13/70/31/411137031.db2.gz MNASOYPLZDWYEZ-ZIAGYGMSSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC[NH2+]C(C)(C)C)C1 ZINC000656787367 411365891 /nfs/dbraw/zinc/36/58/91/411365891.db2.gz JDNXHISOBIWUSK-CYBMUJFWSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CC[NH2+]C(C)(C)C)C1 ZINC000656787367 411365892 /nfs/dbraw/zinc/36/58/92/411365892.db2.gz JDNXHISOBIWUSK-CYBMUJFWSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000651681177 487816769 /nfs/dbraw/zinc/81/67/69/487816769.db2.gz GGCVVDLFJGJSCH-RBSFLKMASA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000245930490 323007682 /nfs/dbraw/zinc/00/76/82/323007682.db2.gz JBWABAIRIUOOHZ-DZGCQCFKSA-N 2 1 236.403 2.663 20 30 BFEDMP CC(C)(CCC#N)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000135137856 325396769 /nfs/dbraw/zinc/39/67/69/325396769.db2.gz ACBADISIRSCQBF-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(CC)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000358622394 534381210 /nfs/dbraw/zinc/38/12/10/534381210.db2.gz DBIKWQPNXWLYPC-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=C(CC)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000358627437 534381894 /nfs/dbraw/zinc/38/18/94/534381894.db2.gz XGHJICKNZDQMFL-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CCC[NH+](CC)CC ZINC000338342212 534558611 /nfs/dbraw/zinc/55/86/11/534558611.db2.gz HNHUMAVKLKGDRM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C[C@@H]1CCCC[N@@H+]1CCC[NH+](CC)CC ZINC000338342212 534558618 /nfs/dbraw/zinc/55/86/18/534558618.db2.gz HNHUMAVKLKGDRM-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744281 584796494 /nfs/dbraw/zinc/79/64/94/584796494.db2.gz QTYRMZZSZIZMCF-KGLIPLIRSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903768835 584797827 /nfs/dbraw/zinc/79/78/27/584797827.db2.gz SBFJATQAXHIVIA-KGLIPLIRSA-N 2 1 249.402 2.662 20 30 BFEDMP C=CCCC[N@H+](CC)CC[C@@H]1CCC[NH2+]C1 ZINC000903850308 584807868 /nfs/dbraw/zinc/80/78/68/584807868.db2.gz OHBHUWZSOLFXBC-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCCC[N@H+](CC)CC[C@H]1CCC[NH2+]C1 ZINC000903850309 584807928 /nfs/dbraw/zinc/80/79/28/584807928.db2.gz OHBHUWZSOLFXBC-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000903950223 584830932 /nfs/dbraw/zinc/83/09/32/584830932.db2.gz KJMKDJZSGFJUDL-SWLSCSKDSA-N 2 1 245.370 2.582 20 30 BFEDMP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000903950222 584831002 /nfs/dbraw/zinc/83/10/02/584831002.db2.gz KJMKDJZSGFJUDL-IUODEOHRSA-N 2 1 245.370 2.582 20 30 BFEDMP C[C@@H](NN=Cc1cnccc1N(C)C)C(C)(C)C ZINC000793111748 586010306 /nfs/dbraw/zinc/01/03/06/586010306.db2.gz LSLVGNOEQSRFDV-LLVKDONJSA-N 2 1 248.374 2.506 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000815652641 586690895 /nfs/dbraw/zinc/69/08/95/586690895.db2.gz KZGDDCZXFYIPFS-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)[C@@H](C)CCC ZINC000815652641 586690896 /nfs/dbraw/zinc/69/08/96/586690896.db2.gz KZGDDCZXFYIPFS-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000817932985 586841560 /nfs/dbraw/zinc/84/15/60/586841560.db2.gz YUGYDPLWVBKQMF-KGLIPLIRSA-N 2 1 224.392 2.711 20 30 BFEDMP C#CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000829779292 587514959 /nfs/dbraw/zinc/51/49/59/587514959.db2.gz QDLFPASQRXSDPA-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000829779292 587514960 /nfs/dbraw/zinc/51/49/60/587514960.db2.gz QDLFPASQRXSDPA-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000829779292 587514961 /nfs/dbraw/zinc/51/49/61/587514961.db2.gz QDLFPASQRXSDPA-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000829779290 587515845 /nfs/dbraw/zinc/51/58/45/587515845.db2.gz QDLFPASQRXSDPA-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000829779290 587515846 /nfs/dbraw/zinc/51/58/46/587515846.db2.gz QDLFPASQRXSDPA-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000829779290 587515847 /nfs/dbraw/zinc/51/58/47/587515847.db2.gz QDLFPASQRXSDPA-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000829811239 587519206 /nfs/dbraw/zinc/51/92/06/587519206.db2.gz ZVZYWAAZNSVKDB-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000122371042 589584825 /nfs/dbraw/zinc/58/48/25/589584825.db2.gz XJAACNCGRNBKDO-STQMWFEESA-N 2 1 212.381 2.626 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000125501061 590166666 /nfs/dbraw/zinc/16/66/66/590166666.db2.gz JUFAVMQQOAZGDW-OLZOCXBDSA-N 2 1 212.381 2.626 20 30 BFEDMP C#CCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000878164017 590511372 /nfs/dbraw/zinc/51/13/72/590511372.db2.gz ZBRAOGIAQAWJJH-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000878164017 590511375 /nfs/dbraw/zinc/51/13/75/590511375.db2.gz ZBRAOGIAQAWJJH-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000878164017 590511377 /nfs/dbraw/zinc/51/13/77/590511377.db2.gz ZBRAOGIAQAWJJH-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000878164017 590511380 /nfs/dbraw/zinc/51/13/80/590511380.db2.gz ZBRAOGIAQAWJJH-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880259048 590979330 /nfs/dbraw/zinc/97/93/30/590979330.db2.gz LHWLOONZIZRNOS-KBPBESRZSA-N 2 1 245.370 2.557 20 30 BFEDMP C=CCCC[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880260132 590980315 /nfs/dbraw/zinc/98/03/15/590980315.db2.gz BGBCAUMLCPFRBG-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP C=C(CC)C[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880261867 590980566 /nfs/dbraw/zinc/98/05/66/590980566.db2.gz ZCBYMWSKOKONFM-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP C=CC[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC=C)CC1 ZINC000886394022 592223256 /nfs/dbraw/zinc/22/32/56/592223256.db2.gz MUCYJJKWCJDQDE-HDJSIYSDSA-N 2 1 222.376 2.533 20 30 BFEDMP C=C(CC)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887134942 592449724 /nfs/dbraw/zinc/44/97/24/592449724.db2.gz SUDPUTHOPANYEZ-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1C/C=C\C[N@@H+]1CC[C@H]1CC=C ZINC000934460563 631847853 /nfs/dbraw/zinc/84/78/53/631847853.db2.gz QKURHOQXYWTULU-ILNYKDOHSA-N 2 1 246.398 2.843 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC000328042595 633227053 /nfs/dbraw/zinc/22/70/53/633227053.db2.gz XSGWHKTXVXZDMN-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC000328042595 633227058 /nfs/dbraw/zinc/22/70/58/633227058.db2.gz XSGWHKTXVXZDMN-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000904471998 637424897 /nfs/dbraw/zinc/42/48/97/637424897.db2.gz KQRRHBCTNZFPQA-KBPBESRZSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000904472003 637425670 /nfs/dbraw/zinc/42/56/70/637425670.db2.gz KQRRHBCTNZFPQA-UONOGXRCSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC000931436994 640201155 /nfs/dbraw/zinc/20/11/55/640201155.db2.gz MFCBPEFVKKCTIQ-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436994 640201161 /nfs/dbraw/zinc/20/11/61/640201161.db2.gz MFCBPEFVKKCTIQ-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC000931436994 640201166 /nfs/dbraw/zinc/20/11/66/640201166.db2.gz MFCBPEFVKKCTIQ-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP C[C@@H](CC(C)(C)C#N)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000924591577 646075089 /nfs/dbraw/zinc/07/50/89/646075089.db2.gz KBJMSVLWBKKWOG-LBPRGKRZSA-N 2 1 249.402 2.531 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000702589705 712055524 /nfs/dbraw/zinc/05/55/24/712055524.db2.gz NMBHUGBRSKFHJX-GASCZTMLSA-N 2 1 238.419 2.888 20 30 BFEDMP C=C1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000724549911 711589211 /nfs/dbraw/zinc/58/92/11/711589211.db2.gz SCENEBHQZLAROL-MQVJKMGUSA-N 2 1 248.414 2.948 20 30 BFEDMP CCCCCCC[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000393759931 711677351 /nfs/dbraw/zinc/67/73/51/711677351.db2.gz VMTKIAIAFNNXFR-CYBMUJFWSA-N 2 1 212.381 2.674 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@]2(C)CCC[NH2+]C2)C1 ZINC000703702284 712084422 /nfs/dbraw/zinc/08/44/22/712084422.db2.gz WEOMSQWDGRWKLF-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000704044823 712098954 /nfs/dbraw/zinc/09/89/54/712098954.db2.gz AAETZQSVXNUKHH-QWHCGFSZSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC[N@@H+](CC1CC[NH2+]CC1)C1CCCCC1 ZINC001207442012 968776348 /nfs/dbraw/zinc/77/63/48/968776348.db2.gz QBVTYMQWUFVHTG-UHFFFAOYSA-N 2 1 236.403 2.807 20 30 BFEDMP C=C(C)C[N@@H+](CC)C1CC[NH+](C2CC2)CC1 ZINC001256079472 970645622 /nfs/dbraw/zinc/64/56/22/970645622.db2.gz KQIZKWKVWVEEDR-UHFFFAOYSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C(C)C[N@H+](CC)C1CC[NH+](C2CC2)CC1 ZINC001256079472 970645634 /nfs/dbraw/zinc/64/56/34/970645634.db2.gz KQIZKWKVWVEEDR-UHFFFAOYSA-N 2 1 222.376 2.511 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167227 978988337 /nfs/dbraw/zinc/98/83/37/978988337.db2.gz YJRZSYHBXLFZGF-UONOGXRCSA-N 2 1 224.392 2.770 20 30 BFEDMP C=CCCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014043 979300921 /nfs/dbraw/zinc/30/09/21/979300921.db2.gz DEVRJUCZSPDROO-ZIAGYGMSSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236014043 979300931 /nfs/dbraw/zinc/30/09/31/979300931.db2.gz DEVRJUCZSPDROO-ZIAGYGMSSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435137 979579897 /nfs/dbraw/zinc/57/98/97/979579897.db2.gz SOLBIEXAUJXIKK-CQSZACIVSA-N 2 1 242.382 2.886 20 30 BFEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001256620708 970888862 /nfs/dbraw/zinc/88/88/62/970888862.db2.gz CQFXQHWRFNJCMB-GOOCMWNKSA-N 2 1 246.398 2.537 20 30 BFEDMP C#CC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001256620708 970888868 /nfs/dbraw/zinc/88/88/68/970888868.db2.gz CQFXQHWRFNJCMB-GOOCMWNKSA-N 2 1 246.398 2.537 20 30 BFEDMP CCCCCCC[C@@H](CC)[NH2+][C@@H]1C[C@H]1[NH3+] ZINC001172351837 974621219 /nfs/dbraw/zinc/62/12/19/974621219.db2.gz WIEYSWRJWGAHFH-JHJVBQTASA-N 2 1 212.381 2.815 20 30 BFEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695843259 960505597 /nfs/dbraw/zinc/50/55/97/960505597.db2.gz PAUWNJDMCFSWAJ-OLZOCXBDSA-N 2 1 239.407 2.635 20 30 BFEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695843259 960505607 /nfs/dbraw/zinc/50/56/07/960505607.db2.gz PAUWNJDMCFSWAJ-OLZOCXBDSA-N 2 1 239.407 2.635 20 30 BFEDMP CC[NH+](CC)CCC[C@H](C)[N@@H+](CC)CCC#N ZINC001167826216 961163217 /nfs/dbraw/zinc/16/32/17/961163217.db2.gz PIENNCNCZYYVDG-AWEZNQCLSA-N 2 1 239.407 2.732 20 30 BFEDMP C=CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167969876 963046088 /nfs/dbraw/zinc/04/60/88/963046088.db2.gz HGQPKYUBNOOOAC-MQVJKMGUSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[NH+](CC=C)C1CC[NH+](CC2CC2)CC1 ZINC001168392809 965128177 /nfs/dbraw/zinc/12/81/77/965128177.db2.gz UOWSIZCPCVADLW-UHFFFAOYSA-N 2 1 234.387 2.535 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235978259 966192660 /nfs/dbraw/zinc/19/26/60/966192660.db2.gz JMBYZBFNZWEDQL-UONOGXRCSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC001205130296 967376597 /nfs/dbraw/zinc/37/65/97/967376597.db2.gz AWSIITPKTCKREI-UONOGXRCSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@](F)(C[NH3+])CC1 ZINC001205546657 967686927 /nfs/dbraw/zinc/68/69/27/967686927.db2.gz YBMZPAGWBNEFQZ-AWEZNQCLSA-N 2 1 242.382 2.886 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[NH2+]C[C@@H]2C)CC1 ZINC001206258352 968178763 /nfs/dbraw/zinc/17/87/63/968178763.db2.gz WWYFPMZMHZRWCE-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[NH2+]C[C@@H]2C)CC1 ZINC001206258352 968178770 /nfs/dbraw/zinc/17/87/70/968178770.db2.gz WWYFPMZMHZRWCE-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C#CCCC[NH+]1CCCC[C@@H]1C[C@@H]1CCC[N@@H+]1C ZINC001209269414 969422659 /nfs/dbraw/zinc/42/26/59/969422659.db2.gz JPABPEJHHLYQAG-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@@H]1C[C@@H]1CCC[NH+]1C ZINC001209269414 969422663 /nfs/dbraw/zinc/42/26/63/969422663.db2.gz JPABPEJHHLYQAG-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP CCCCCCC[N@H+](C)Cc1c[nH+]ccc1N ZINC001209734527 969599565 /nfs/dbraw/zinc/59/95/65/969599565.db2.gz SUZGXPDMISJEKC-UHFFFAOYSA-N 2 1 235.375 2.896 20 30 BFEDMP CCCCCCC[N@@H+](C)Cc1c[nH+]ccc1N ZINC001209734527 969599568 /nfs/dbraw/zinc/59/95/68/969599568.db2.gz SUZGXPDMISJEKC-UHFFFAOYSA-N 2 1 235.375 2.896 20 30 BFEDMP C=C[C@@H]([NH2+][C@@H]1CCC[N@@H+](C)CC1)c1ccccc1 ZINC001254513287 969682461 /nfs/dbraw/zinc/68/24/61/969682461.db2.gz CDLHOYHFPDKCME-HZPDHXFCSA-N 2 1 244.382 2.988 20 30 BFEDMP C=C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)c1ccccc1 ZINC001254513287 969682473 /nfs/dbraw/zinc/68/24/73/969682473.db2.gz CDLHOYHFPDKCME-HZPDHXFCSA-N 2 1 244.382 2.988 20 30 BFEDMP CC[C@H](CC#N)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255164484 969978160 /nfs/dbraw/zinc/97/81/60/969978160.db2.gz MVVXLFXXDAFTRK-UONOGXRCSA-N 2 1 237.391 2.520 20 30 BFEDMP CC[C@@H](CC#N)[N@H+]1CCCC[C@@H](CCC[NH3+])C1 ZINC001255164479 969978333 /nfs/dbraw/zinc/97/83/33/969978333.db2.gz MVVXLFXXDAFTRK-KBPBESRZSA-N 2 1 237.391 2.520 20 30 BFEDMP C[N@H+]1CCC[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC001173584635 975424671 /nfs/dbraw/zinc/42/46/71/975424671.db2.gz DYPFRJAPNLTUJC-NFOMZHRRSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC(C)(C#N)CC1 ZINC001173588393 975431357 /nfs/dbraw/zinc/43/13/57/975431357.db2.gz CKHFKLFCLPNTOJ-SHARSMKWSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC2CC1(C[NH3+])C2 ZINC001235008274 978944364 /nfs/dbraw/zinc/94/43/64/978944364.db2.gz PZQCVHLLLHDVDE-UHFFFAOYSA-N 2 1 236.403 2.936 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001235008909 978951474 /nfs/dbraw/zinc/95/14/74/978951474.db2.gz WFWNNBYTGSNYLH-HWOWSKLDSA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC3CC2(C[NH3+])C3)CC1 ZINC001235008909 978951480 /nfs/dbraw/zinc/95/14/80/978951480.db2.gz WFWNNBYTGSNYLH-HWOWSKLDSA-N 2 1 246.398 2.712 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007583 978951536 /nfs/dbraw/zinc/95/15/36/978951536.db2.gz PHDVPRWWIHEUHO-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001235007583 978951537 /nfs/dbraw/zinc/95/15/37/978951537.db2.gz PHDVPRWWIHEUHO-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC001235030936 978955195 /nfs/dbraw/zinc/95/51/95/978955195.db2.gz IYSLMOUOURWYBV-HNNXBMFYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110840 978973519 /nfs/dbraw/zinc/97/35/19/978973519.db2.gz MZXCMRNELVXDQK-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC001235110840 978973523 /nfs/dbraw/zinc/97/35/23/978973523.db2.gz MZXCMRNELVXDQK-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167227 978988331 /nfs/dbraw/zinc/98/83/31/978988331.db2.gz YJRZSYHBXLFZGF-UONOGXRCSA-N 2 1 224.392 2.770 20 30 BFEDMP CCCCCCC/C=C/C[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001235210962 979000144 /nfs/dbraw/zinc/00/01/44/979000144.db2.gz RXRRSBNQWOEYIL-UUXYFYRBSA-N 2 1 236.403 2.792 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235258035 979011716 /nfs/dbraw/zinc/01/17/16/979011716.db2.gz KNAFUKQULPNLDY-BZUAXINKSA-N 2 1 246.398 2.583 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[NH2+]CC[C@H]32)CC1 ZINC001235258035 979011721 /nfs/dbraw/zinc/01/17/21/979011721.db2.gz KNAFUKQULPNLDY-BZUAXINKSA-N 2 1 246.398 2.583 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@@H](C[NH3+])C2)CC1 ZINC001235673577 979114810 /nfs/dbraw/zinc/11/48/10/979114810.db2.gz OQRJWJYHIKJETH-JKSUJKDBSA-N 2 1 248.414 2.960 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@H]1CC[NH3+] ZINC001235925568 979207015 /nfs/dbraw/zinc/20/70/15/979207015.db2.gz VONOHIDHSOXQTJ-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235981538 979256179 /nfs/dbraw/zinc/25/61/79/979256179.db2.gz WRWYINDDCSWUTP-BZUAXINKSA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235981538 979256192 /nfs/dbraw/zinc/25/61/92/979256192.db2.gz WRWYINDDCSWUTP-BZUAXINKSA-N 2 1 246.398 2.712 20 30 BFEDMP CCCCCCCC[N@H+](CC)CC[NH2+]C ZINC001236142388 979410165 /nfs/dbraw/zinc/41/01/65/979410165.db2.gz CTUOQZZCJWJMTQ-UHFFFAOYSA-N 2 1 214.397 2.888 20 30 BFEDMP CCCCCCCC[N@@H+](CC)CC[NH2+]C ZINC001236142388 979410171 /nfs/dbraw/zinc/41/01/71/979410171.db2.gz CTUOQZZCJWJMTQ-UHFFFAOYSA-N 2 1 214.397 2.888 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236435137 979579885 /nfs/dbraw/zinc/57/98/85/979579885.db2.gz SOLBIEXAUJXIKK-CQSZACIVSA-N 2 1 242.382 2.886 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@H]1C ZINC001236413090 979587739 /nfs/dbraw/zinc/58/77/39/979587739.db2.gz AUZHAQINAKDCRV-KGLIPLIRSA-N 2 1 224.392 2.935 20 30 BFEDMP CCC#C[C@H](C)[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459508342 985523349 /nfs/dbraw/zinc/52/33/49/985523349.db2.gz NEKHGPHKEKKVBP-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP CCC#C[C@H](C)[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC001459508342 985523368 /nfs/dbraw/zinc/52/33/68/985523368.db2.gz NEKHGPHKEKKVBP-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258720263 986051257 /nfs/dbraw/zinc/05/12/57/986051257.db2.gz WNOAOJORKINROC-XQLPTFJDSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258720263 986051273 /nfs/dbraw/zinc/05/12/73/986051273.db2.gz WNOAOJORKINROC-XQLPTFJDSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258721477 986054233 /nfs/dbraw/zinc/05/42/33/986054233.db2.gz WNOAOJORKINROC-TUVASFSCSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258721477 986054260 /nfs/dbraw/zinc/05/42/60/986054260.db2.gz WNOAOJORKINROC-TUVASFSCSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@H](C)n1c[nH+]cc1C1CC[NH2+]CC1 ZINC001258731259 986070308 /nfs/dbraw/zinc/07/03/08/986070308.db2.gz BWKNEGXEMFEGQG-LBPRGKRZSA-N 2 1 233.359 2.877 20 30 BFEDMP CCCCCCCC[NH2+][C@@H]1C[NH2+][C@H](C)C1 ZINC001246244906 987645836 /nfs/dbraw/zinc/64/58/36/987645836.db2.gz SCFGDVNULJZVOJ-OLZOCXBDSA-N 2 1 212.381 2.687 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+]CC[NH2+]CC ZINC001246268883 987662172 /nfs/dbraw/zinc/66/21/72/987662172.db2.gz BGKPRENCNPNZCJ-CYBMUJFWSA-N 2 1 214.397 2.935 20 30 BFEDMP C=C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC001246493358 987847228 /nfs/dbraw/zinc/84/72/28/987847228.db2.gz ZLEJYTXOBJZGKS-VFSICIBPSA-N 2 1 242.366 2.786 20 30 BFEDMP CC1(C#N)CCC([N@H+]2CCC[C@@](C)([NH3+])CC2)CC1 ZINC001246553039 987953523 /nfs/dbraw/zinc/95/35/23/987953523.db2.gz QQUJFDQBFRUEOT-YMAMQOFZSA-N 2 1 249.402 2.662 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@@H](C)C1 ZINC001246573060 988067138 /nfs/dbraw/zinc/06/71/38/988067138.db2.gz YSOQYTDRBZJMJF-IHRRRGAJSA-N 2 1 224.392 2.648 20 30 BFEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655190 988377872 /nfs/dbraw/zinc/37/78/72/988377872.db2.gz GNCXLGJNFYVVLU-IGQOVBAYSA-N 2 1 224.392 2.624 20 30 BFEDMP CCCCCCC[C@@H](C)[N@@H+]1C[C@@H]2[C@@H]([NH3+])[C@@H]2C1 ZINC001246655192 988378414 /nfs/dbraw/zinc/37/84/14/988378414.db2.gz GNCXLGJNFYVVLU-MQYQWHSLSA-N 2 1 224.392 2.624 20 30 BFEDMP CCCCCCC[N@@H+](C)[C@H](C)CC[NH2+]C ZINC001246774055 988455676 /nfs/dbraw/zinc/45/56/76/988455676.db2.gz FLSLVJNVKIUODT-CYBMUJFWSA-N 2 1 214.397 2.887 20 30 BFEDMP C=CC[NH+](CC=C)[C@@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246812971 988499137 /nfs/dbraw/zinc/49/91/37/988499137.db2.gz GQNLNSQXDARSNX-HUUCEWRRSA-N 2 1 236.403 2.971 20 30 BFEDMP CCCCCCC[C@@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946685 988777783 /nfs/dbraw/zinc/77/77/83/988777783.db2.gz HHKYJSWSKJDACZ-KBXIAJHMSA-N 2 1 238.419 2.885 20 30 BFEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246948496 988785396 /nfs/dbraw/zinc/78/53/96/988785396.db2.gz KKIPNBNIHMXCCE-DZGCQCFKSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)C1 ZINC001560623178 991523150 /nfs/dbraw/zinc/52/31/50/991523150.db2.gz QXERVOGKGJECJG-RBGFHDKUSA-N 2 1 248.414 2.661 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001258722063 991655914 /nfs/dbraw/zinc/65/59/14/991655914.db2.gz BRARBWQUAQMEND-UONOGXRCSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001258722063 991655924 /nfs/dbraw/zinc/65/59/24/991655924.db2.gz BRARBWQUAQMEND-UONOGXRCSA-N 2 1 236.403 2.948 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H]1C ZINC000379990903 993304268 /nfs/dbraw/zinc/30/42/68/993304268.db2.gz XJUDHSQJVPKVSO-CHWSQXEVSA-N 2 1 212.381 2.768 20 30 BFEDMP CCCCCCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC000382755362 993467329 /nfs/dbraw/zinc/46/73/29/993467329.db2.gz MLOMZPLMLDLUAI-ZDUSSCGKSA-N 2 1 212.381 2.641 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000383646501 993509926 /nfs/dbraw/zinc/50/99/26/993509926.db2.gz CMSGWAQCBGSBGM-CABCVRRESA-N 2 1 238.419 2.888 20 30 BFEDMP C=C(C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1ccccc1 ZINC000423022025 398161989 /nfs/dbraw/zinc/16/19/89/398161989.db2.gz DLOKXJYIZVTKSQ-CVEARBPZSA-N 2 1 244.382 2.949 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379781 398189117 /nfs/dbraw/zinc/18/91/17/398189117.db2.gz HJLFDKGYSPANQQ-CQSZACIVSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000649379781 398189119 /nfs/dbraw/zinc/18/91/19/398189119.db2.gz HJLFDKGYSPANQQ-CQSZACIVSA-N 2 1 224.392 2.805 20 30 BFEDMP CC(C)[NH+](CC[NH2+]C[C@H](C)CCC#N)C(C)C ZINC000602508892 349584438 /nfs/dbraw/zinc/58/44/38/349584438.db2.gz NDBAWKFLICBHQB-CQSZACIVSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527733590 262877973 /nfs/dbraw/zinc/87/79/73/262877973.db2.gz DGBFAZJTGLAWNI-ZIAGYGMSSA-N 2 1 236.403 2.805 20 30 BFEDMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602674542 349668586 /nfs/dbraw/zinc/66/85/86/349668586.db2.gz DWNFDEPSVAOZMV-KGLIPLIRSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602674542 349668590 /nfs/dbraw/zinc/66/85/90/349668590.db2.gz DWNFDEPSVAOZMV-KGLIPLIRSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351730375 136250350 /nfs/dbraw/zinc/25/03/50/136250350.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730375 136250351 /nfs/dbraw/zinc/25/03/51/136250351.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351730375 136250352 /nfs/dbraw/zinc/25/03/52/136250352.db2.gz NOSFRQACSVCQJP-GDBMZVCRSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351730379 136250364 /nfs/dbraw/zinc/25/03/64/136250364.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730379 136250365 /nfs/dbraw/zinc/25/03/65/136250365.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351730379 136250366 /nfs/dbraw/zinc/25/03/66/136250366.db2.gz NOSFRQACSVCQJP-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602670214 349686663 /nfs/dbraw/zinc/68/66/63/349686663.db2.gz MOUUWYNGOOYYDJ-KGLIPLIRSA-N 2 1 239.407 2.636 20 30 BFEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602670214 349686665 /nfs/dbraw/zinc/68/66/65/349686665.db2.gz MOUUWYNGOOYYDJ-KGLIPLIRSA-N 2 1 239.407 2.636 20 30 BFEDMP CCCC[N@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602670213 349686971 /nfs/dbraw/zinc/68/69/71/349686971.db2.gz MOUUWYNGOOYYDJ-KBPBESRZSA-N 2 1 239.407 2.636 20 30 BFEDMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000602670213 349686974 /nfs/dbraw/zinc/68/69/74/349686974.db2.gz MOUUWYNGOOYYDJ-KBPBESRZSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000309051180 346957297 /nfs/dbraw/zinc/95/72/97/346957297.db2.gz REYZKIILWJLVGD-STQMWFEESA-N 2 1 212.381 2.661 20 30 BFEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000174337897 323075108 /nfs/dbraw/zinc/07/51/08/323075108.db2.gz JEEFOVQENQNWBP-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2(C)CC2)CC1 ZINC000153025983 344734626 /nfs/dbraw/zinc/73/46/26/344734626.db2.gz QIBHEWLGRRPVOJ-ZDUSSCGKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)CC[N@H+](C)C(C)(C)CN1CCCC1 ZINC000419371668 192129584 /nfs/dbraw/zinc/12/95/84/192129584.db2.gz JHYCGASGGKMMOR-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[N@H+]1C[C@@H](c2ccccc2)[C@@H](C[NH3+])C1 ZINC000337085315 350554572 /nfs/dbraw/zinc/55/45/72/350554572.db2.gz ZHPMSEZZRKLDIV-HOTGVXAUSA-N 2 1 244.382 2.627 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000120332317 323981915 /nfs/dbraw/zinc/98/19/15/323981915.db2.gz TYIYYDGVUWTHQD-HUUCEWRRSA-N 2 1 236.403 2.661 20 30 BFEDMP C=C(C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccccc1 ZINC000129948117 353328055 /nfs/dbraw/zinc/32/80/55/353328055.db2.gz VTXXMLMFTNOLTM-HOCLYGCPSA-N 2 1 244.382 2.630 20 30 BFEDMP C=CCC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285789021 353550735 /nfs/dbraw/zinc/55/07/35/353550735.db2.gz UPUBDDRMOIKIAX-UHFFFAOYSA-N 2 1 236.359 2.609 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@@H+](CC)CCC ZINC000230665341 363317547 /nfs/dbraw/zinc/31/75/47/363317547.db2.gz QQIUDYGXKDQYPK-ZDUSSCGKSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@H+](CC)CCC ZINC000230665341 363317550 /nfs/dbraw/zinc/31/75/50/363317550.db2.gz QQIUDYGXKDQYPK-ZDUSSCGKSA-N 2 1 212.381 2.663 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000352044448 134046361 /nfs/dbraw/zinc/04/63/61/134046361.db2.gz HQKDYKDBTKWANP-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000049554338 356480426 /nfs/dbraw/zinc/48/04/26/356480426.db2.gz PMJCZOGRLNBUNI-CHWSQXEVSA-N 2 1 245.370 2.549 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000126733077 358553797 /nfs/dbraw/zinc/55/37/97/358553797.db2.gz IBNURPSROUOCFS-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)C2CCC2)CC1 ZINC000177915241 134302053 /nfs/dbraw/zinc/30/20/53/134302053.db2.gz MGBYNPCDAUSYRD-ZDUSSCGKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075836432 359226401 /nfs/dbraw/zinc/22/64/01/359226401.db2.gz TUVCCBXAKDSWFA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000579123463 366718290 /nfs/dbraw/zinc/71/82/90/366718290.db2.gz SKHDTDSCDRHDLF-UONOGXRCSA-N 2 1 247.386 2.954 20 30 BFEDMP CC[C@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1CC ZINC000574658151 365117074 /nfs/dbraw/zinc/11/70/74/365117074.db2.gz XENJFBOYOUTZSX-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172626017 365356197 /nfs/dbraw/zinc/35/61/97/365356197.db2.gz YUVXZPNHGDCLAW-CQSZACIVSA-N 2 1 222.376 2.513 20 30 BFEDMP C[C@H]([NH2+]CCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185705994 367140824 /nfs/dbraw/zinc/14/08/24/367140824.db2.gz QNWNALLZGMATJI-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000381034451 367337920 /nfs/dbraw/zinc/33/79/20/367337920.db2.gz CJTQXDMSKBABHU-HZSPNIEDSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000381034451 367337924 /nfs/dbraw/zinc/33/79/24/367337924.db2.gz CJTQXDMSKBABHU-HZSPNIEDSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000384875291 367748083 /nfs/dbraw/zinc/74/80/83/367748083.db2.gz RYUNJVFOCMSCCJ-FRRDWIJNSA-N 2 1 224.392 2.517 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459784014 203361384 /nfs/dbraw/zinc/36/13/84/203361384.db2.gz NTUQJTZYNMZFCK-ZIAGYGMSSA-N 2 1 224.392 2.663 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)C2)CC1 ZINC000174363169 374187592 /nfs/dbraw/zinc/18/75/92/374187592.db2.gz NCWWMIGQSQCSQJ-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]CC(C)(C)CCC#N)CC1 ZINC000174362972 374187793 /nfs/dbraw/zinc/18/77/93/374187793.db2.gz YKVSKHZXDLIMGJ-UHFFFAOYSA-N 2 1 249.402 2.556 20 30 BFEDMP CC1(C)CCC[NH+]1CC#CC[N@@H+]1CCCC1(C)C ZINC000560159476 383948979 /nfs/dbraw/zinc/94/89/79/383948979.db2.gz PDFASOWQIITRLB-UHFFFAOYSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CCCCCC[NH2+]Cc1c[nH+]ccc1N(C)C ZINC000518563306 384021742 /nfs/dbraw/zinc/02/17/42/384021742.db2.gz XXIRVIHPUDSKHL-UHFFFAOYSA-N 2 1 247.386 2.984 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2C)CC1 ZINC000414125409 385974716 /nfs/dbraw/zinc/97/47/16/385974716.db2.gz QEASLIGWVGXRCF-GUTXKFCHSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000120117295 387174367 /nfs/dbraw/zinc/17/43/67/387174367.db2.gz YRRYXFJRKYKJGP-XJKSGUPXSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H](C1CC1)[NH+](C)C)C1CC1 ZINC000120332161 387183503 /nfs/dbraw/zinc/18/35/03/387183503.db2.gz TYIYYDGVUWTHQD-CABCVRRESA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H](C[NH3+])CCCC)C1CC1 ZINC000423303811 387137624 /nfs/dbraw/zinc/13/76/24/387137624.db2.gz XOILORVUXMXURY-KBPBESRZSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCCC[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000230022835 387228472 /nfs/dbraw/zinc/22/84/72/387228472.db2.gz LGQZGPARFZOSQW-UHFFFAOYSA-N 2 1 232.371 2.804 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423507331 387345692 /nfs/dbraw/zinc/34/56/92/387345692.db2.gz IIRULGNTVFGWOA-KBPBESRZSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423507333 387346042 /nfs/dbraw/zinc/34/60/42/387346042.db2.gz IIRULGNTVFGWOA-UONOGXRCSA-N 2 1 224.392 2.838 20 30 BFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442653607 387814002 /nfs/dbraw/zinc/81/40/02/387814002.db2.gz RBEJXAKPHHHHOY-QLFBSQMISA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000453308703 388040822 /nfs/dbraw/zinc/04/08/22/388040822.db2.gz NKTQJMPDHFJHQF-BFHYXJOUSA-N 2 1 236.403 2.661 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000489474344 388216871 /nfs/dbraw/zinc/21/68/71/388216871.db2.gz KEWJTRGCZCBSCW-HNNXBMFYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560719 388232262 /nfs/dbraw/zinc/23/22/62/388232262.db2.gz OUBLEXBRGXLJAF-FFHGMXDLSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561237 388232908 /nfs/dbraw/zinc/23/29/08/388232908.db2.gz SPIQVAWRLYKCBU-WQGXVZNYSA-N 2 1 236.403 2.802 20 30 BFEDMP C=CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275655130 388344927 /nfs/dbraw/zinc/34/49/27/388344927.db2.gz FDTDOEVKIQJISQ-HOCLYGCPSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000275655130 388344929 /nfs/dbraw/zinc/34/49/29/388344929.db2.gz FDTDOEVKIQJISQ-HOCLYGCPSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247270387 388662139 /nfs/dbraw/zinc/66/21/39/388662139.db2.gz WEFIHSTZDKGVBT-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000423300464 388691335 /nfs/dbraw/zinc/69/13/35/388691335.db2.gz RRIUQYBTWPZSLO-DOMZBBRYSA-N 2 1 245.370 2.726 20 30 BFEDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423300467 388691689 /nfs/dbraw/zinc/69/16/89/388691689.db2.gz RRIUQYBTWPZSLO-SWLSCSKDSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000565580166 388955174 /nfs/dbraw/zinc/95/51/74/388955174.db2.gz SUOIRMSURIHNPL-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000565580166 388955178 /nfs/dbraw/zinc/95/51/78/388955178.db2.gz SUOIRMSURIHNPL-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000565580166 388955186 /nfs/dbraw/zinc/95/51/86/388955186.db2.gz SUOIRMSURIHNPL-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000565580166 388955182 /nfs/dbraw/zinc/95/51/82/388955182.db2.gz SUOIRMSURIHNPL-KBPBESRZSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)C[N@@H+](CC)CC[C@@H]1CCCC[NH+]1C ZINC000356809928 533505866 /nfs/dbraw/zinc/50/58/66/533505866.db2.gz DMFAIVUBQGBZEI-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+](CC)CC[C@@H]1CCCC[N@@H+]1C ZINC000356809928 533505868 /nfs/dbraw/zinc/50/58/68/533505868.db2.gz DMFAIVUBQGBZEI-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+](CC)CC[C@@H]1CCCC[N@H+]1C ZINC000356809928 533505874 /nfs/dbraw/zinc/50/58/74/533505874.db2.gz DMFAIVUBQGBZEI-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000352014246 134036282 /nfs/dbraw/zinc/03/62/82/134036282.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000352014246 134036283 /nfs/dbraw/zinc/03/62/83/134036283.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C(C)CC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000352014246 134036284 /nfs/dbraw/zinc/03/62/84/134036284.db2.gz MLPYKZMLWWNXOE-OAHLLOKOSA-N 2 1 236.403 2.616 20 30 BFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000336222308 134139564 /nfs/dbraw/zinc/13/95/64/134139564.db2.gz USSWFSUULBSLKW-JLVJUDLZSA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000336222308 134139565 /nfs/dbraw/zinc/13/95/65/134139565.db2.gz USSWFSUULBSLKW-JLVJUDLZSA-N 2 1 249.402 2.531 20 30 BFEDMP CC[NH+]1CCC([NH2+]C2CCC(C)(C#N)CC2)CC1 ZINC000336228451 134139941 /nfs/dbraw/zinc/13/99/41/134139941.db2.gz RUKDZLZPCHMZOI-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000336587368 134150688 /nfs/dbraw/zinc/15/06/88/134150688.db2.gz KDXUALLKTJXQKX-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=C(C)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000336587368 134150689 /nfs/dbraw/zinc/15/06/89/134150689.db2.gz KDXUALLKTJXQKX-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=C(Cl)C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167752714 134153709 /nfs/dbraw/zinc/15/37/09/134153709.db2.gz SQJVASBEZMCVJF-VXGBXAGGSA-N 2 1 230.783 2.639 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000368446473 134218383 /nfs/dbraw/zinc/21/83/83/134218383.db2.gz XHZHXPAMZWMQMP-PMPSAXMXSA-N 2 1 248.414 2.948 20 30 BFEDMP C=C(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000211866089 134242175 /nfs/dbraw/zinc/24/21/75/134242175.db2.gz KDKHXISUDOTOQR-ZBFHGGJFSA-N 2 1 244.382 2.772 20 30 BFEDMP Cc1[nH+]ccn1CCC[NH2+]CC(C)(C)CCC#N ZINC000266206853 135147284 /nfs/dbraw/zinc/14/72/84/135147284.db2.gz NANRFFPKDHPYFG-UHFFFAOYSA-N 2 1 248.374 2.501 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000092746983 135581895 /nfs/dbraw/zinc/58/18/95/135581895.db2.gz IAYUURYWHLPUFL-SQWLQELKSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923831 398100180 /nfs/dbraw/zinc/10/01/80/398100180.db2.gz GDVODNOREOSHKR-STQMWFEESA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000651682343 411135588 /nfs/dbraw/zinc/13/55/88/411135588.db2.gz VYBVVWFMULPNNK-GJZGRUSLSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939224 411174010 /nfs/dbraw/zinc/17/40/10/411174010.db2.gz WAWFMMAROZGQSG-HOTGVXAUSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000657981371 411187750 /nfs/dbraw/zinc/18/77/50/411187750.db2.gz GWIWZCCUILCFIH-UKRRQHHQSA-N 2 1 247.386 2.687 20 30 BFEDMP C=CCCCCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000656201315 411206614 /nfs/dbraw/zinc/20/66/14/411206614.db2.gz VLZYCWHOEYVJMW-GFCCVEGCSA-N 2 1 233.359 2.891 20 30 BFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000657824180 411607524 /nfs/dbraw/zinc/60/75/24/411607524.db2.gz RZBCRUAWYQANTA-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+](CC)CC ZINC000662091504 411984719 /nfs/dbraw/zinc/98/47/19/411984719.db2.gz ZDFKDNYSWAWQKK-GASCZTMLSA-N 2 1 236.403 2.901 20 30 BFEDMP CC[C@@H](C)[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000174337897 323075107 /nfs/dbraw/zinc/07/51/07/323075107.db2.gz JEEFOVQENQNWBP-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2CC23CC3)CC1 ZINC000527858450 323711293 /nfs/dbraw/zinc/71/12/93/323711293.db2.gz KIHVHDJLPKKKDS-UKRRQHHQSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000358497837 534400098 /nfs/dbraw/zinc/40/00/98/534400098.db2.gz LHXMLKFNKSMUOR-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000348049190 534464832 /nfs/dbraw/zinc/46/48/32/534464832.db2.gz PREXRGURRAEHOT-UHFFFAOYSA-N 2 1 233.359 2.624 20 30 BFEDMP C=C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000119322438 534508500 /nfs/dbraw/zinc/50/85/00/534508500.db2.gz VSNXFKNQGKFCGE-CQSZACIVSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000309346677 534694922 /nfs/dbraw/zinc/69/49/22/534694922.db2.gz WPEYTSLAOZFWSJ-MELADBBJSA-N 2 1 224.392 2.661 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000495094327 526604433 /nfs/dbraw/zinc/60/44/33/526604433.db2.gz SMQKRMNVEHIEBA-VNHYZAJKSA-N 2 1 236.403 2.661 20 30 BFEDMP C#CC[N@H+](CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000891824571 582726843 /nfs/dbraw/zinc/72/68/43/582726843.db2.gz QBISEJSVXUOEPA-UHFFFAOYSA-N 2 1 248.414 2.596 20 30 BFEDMP C#C[C@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000872139742 583947717 /nfs/dbraw/zinc/94/77/17/583947717.db2.gz OZOSVSRRGHWLAF-RBSFLKMASA-N 2 1 248.414 2.641 20 30 BFEDMP C=CCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903160014 584731173 /nfs/dbraw/zinc/73/11/73/584731173.db2.gz SZDGDAQDXYDRKG-LQDVMPOASA-N 2 1 234.387 2.700 20 30 BFEDMP N#CC1(CCCC[N@H+]2CCCC[C@H]2C[NH3+])CCC1 ZINC000903713525 584793771 /nfs/dbraw/zinc/79/37/71/584793771.db2.gz ULWWVMVDSMUZCP-AWEZNQCLSA-N 2 1 249.402 2.664 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CCCC[C@H]2C[NH3+])CCC1 ZINC000903713525 584793772 /nfs/dbraw/zinc/79/37/72/584793772.db2.gz ULWWVMVDSMUZCP-AWEZNQCLSA-N 2 1 249.402 2.664 20 30 BFEDMP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000903950214 584830593 /nfs/dbraw/zinc/83/05/93/584830593.db2.gz KJMKDJZSGFJUDL-DOMZBBRYSA-N 2 1 245.370 2.582 20 30 BFEDMP CCC#C[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799177571 586165637 /nfs/dbraw/zinc/16/56/37/586165637.db2.gz VIRPOTCIVHKTEA-HNNXBMFYSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000815652639 586690628 /nfs/dbraw/zinc/69/06/28/586690628.db2.gz KZGDDCZXFYIPFS-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)[C@@H](C)CCC ZINC000815652639 586690629 /nfs/dbraw/zinc/69/06/29/586690629.db2.gz KZGDDCZXFYIPFS-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000850472399 588549007 /nfs/dbraw/zinc/54/90/07/588549007.db2.gz YWZVXVUGNMYHIR-HZPDHXFCSA-N 2 1 248.414 2.666 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC[C@H]1CC=C ZINC000850472399 588549009 /nfs/dbraw/zinc/54/90/09/588549009.db2.gz YWZVXVUGNMYHIR-HZPDHXFCSA-N 2 1 248.414 2.666 20 30 BFEDMP CCCCCCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000863539569 589296723 /nfs/dbraw/zinc/29/67/23/589296723.db2.gz FFAWZJNDMQNHJR-OLZOCXBDSA-N 2 1 212.381 2.544 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156016 589886311 /nfs/dbraw/zinc/88/63/11/589886311.db2.gz COOBNIORMUTIRP-ZFWWWQNUSA-N 2 1 236.403 2.792 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000876929886 590258118 /nfs/dbraw/zinc/25/81/18/590258118.db2.gz OPWRPPKVBWNROQ-HNNXBMFYSA-N 2 1 248.414 2.644 20 30 BFEDMP C=CCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702112 590852065 /nfs/dbraw/zinc/85/20/65/590852065.db2.gz GLOAFBQESADRSV-UHFFFAOYSA-N 2 1 238.419 2.862 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000328099162 633237353 /nfs/dbraw/zinc/23/73/53/633237353.db2.gz KORPRNRYSYQKHW-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C)cc1 ZINC000328099162 633237360 /nfs/dbraw/zinc/23/73/60/633237360.db2.gz KORPRNRYSYQKHW-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000328229424 633743868 /nfs/dbraw/zinc/74/38/68/633743868.db2.gz CMBGLKVCGNTYRQ-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](CC)C[C@H](C)CC ZINC000328229424 633743871 /nfs/dbraw/zinc/74/38/71/633743871.db2.gz CMBGLKVCGNTYRQ-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CC[C@@H](CC[NH3+])C2)CCC1 ZINC000903788773 637381512 /nfs/dbraw/zinc/38/15/12/637381512.db2.gz QDBDAHWTOOKFND-CQSZACIVSA-N 2 1 249.402 2.521 20 30 BFEDMP CCCCCCC[N@@H+](C)C1CC[NH2+]CC1 ZINC000059367800 640807885 /nfs/dbraw/zinc/80/78/85/640807885.db2.gz SZYXBCIUHABCEP-UHFFFAOYSA-N 2 1 212.381 2.641 20 30 BFEDMP C#CCC1([NH2+]CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC000933265052 642434675 /nfs/dbraw/zinc/43/46/75/642434675.db2.gz QAJXYCXPNFVSDT-HNNXBMFYSA-N 2 1 248.414 2.787 20 30 BFEDMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000924617121 646079533 /nfs/dbraw/zinc/07/95/33/646079533.db2.gz IXGMVUQJCPTPOR-STQMWFEESA-N 2 1 239.407 2.635 20 30 BFEDMP C=CC[C@H](C)[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925599620 646353542 /nfs/dbraw/zinc/35/35/42/646353542.db2.gz AVYVNNMDMCOANF-OUCADQQQSA-N 2 1 218.344 2.629 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000925732027 646457110 /nfs/dbraw/zinc/45/71/10/646457110.db2.gz WMQXLTXWWIVZCT-OLZOCXBDSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000704044850 712099240 /nfs/dbraw/zinc/09/92/40/712099240.db2.gz AAETZQSVXNUKHH-STQMWFEESA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000380578919 712901493 /nfs/dbraw/zinc/90/14/93/712901493.db2.gz PNEMAEWBGSSOGX-UHFFFAOYSA-N 2 1 224.392 2.807 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000385543669 711014796 /nfs/dbraw/zinc/01/47/96/711014796.db2.gz VCUIGWXBUHRMGG-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000385543669 711014797 /nfs/dbraw/zinc/01/47/97/711014797.db2.gz VCUIGWXBUHRMGG-OAHLLOKOSA-N 2 1 244.382 2.601 20 30 BFEDMP C=C1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000724565980 710741790 /nfs/dbraw/zinc/74/17/90/710741790.db2.gz JIWLMLQUQUAGRU-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H]1CC[N@H+](CCCCCCC[NH3+])C1 ZINC000703671578 712082722 /nfs/dbraw/zinc/08/27/22/712082722.db2.gz ROHYYYRIMAHHKR-AWEZNQCLSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000705927854 712138470 /nfs/dbraw/zinc/13/84/70/712138470.db2.gz YWMRNFZDIVIGRN-HNSVSWJLSA-N 2 1 248.414 2.805 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901547 712876238 /nfs/dbraw/zinc/87/62/38/712876238.db2.gz CFSYHDUMNOPROR-ZIAGYGMSSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000720901547 712876240 /nfs/dbraw/zinc/87/62/40/712876240.db2.gz CFSYHDUMNOPROR-ZIAGYGMSSA-N 2 1 224.392 2.783 20 30 BFEDMP C=CC[N@@H+](C1CC[NH+](CC)CC1)C(C)(C)C ZINC001169263670 969519034 /nfs/dbraw/zinc/51/90/34/969519034.db2.gz FASZTMBQMQXFBE-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@H+](C1CC[NH+](CC)CC1)C(C)(C)C ZINC001169263670 969519045 /nfs/dbraw/zinc/51/90/45/969519045.db2.gz FASZTMBQMQXFBE-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001176770901 978181381 /nfs/dbraw/zinc/18/13/81/978181381.db2.gz BABCHEYODOYWKT-GJZGRUSLSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001176770901 978181387 /nfs/dbraw/zinc/18/13/87/978181387.db2.gz BABCHEYODOYWKT-GJZGRUSLSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001176770901 978181394 /nfs/dbraw/zinc/18/13/94/978181394.db2.gz BABCHEYODOYWKT-GJZGRUSLSA-N 2 1 236.403 2.901 20 30 BFEDMP CCCCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145134 978980664 /nfs/dbraw/zinc/98/06/64/978980664.db2.gz CEYSXRMZFYVZLR-KBPBESRZSA-N 2 1 224.392 2.770 20 30 BFEDMP CCCCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145134 978980672 /nfs/dbraw/zinc/98/06/72/978980672.db2.gz CEYSXRMZFYVZLR-KBPBESRZSA-N 2 1 224.392 2.770 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203423 979846702 /nfs/dbraw/zinc/84/67/02/979846702.db2.gz GQQMPKHJDHLYIW-OLZOCXBDSA-N 2 1 210.365 2.544 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])C[C@H]1C ZINC001237203423 979846703 /nfs/dbraw/zinc/84/67/03/979846703.db2.gz GQQMPKHJDHLYIW-OLZOCXBDSA-N 2 1 210.365 2.544 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001201762169 983463940 /nfs/dbraw/zinc/46/39/40/983463940.db2.gz AHQKICDEKXZNPL-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001201762169 983463947 /nfs/dbraw/zinc/46/39/47/983463947.db2.gz AHQKICDEKXZNPL-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001201762169 983463951 /nfs/dbraw/zinc/46/39/51/983463951.db2.gz AHQKICDEKXZNPL-CABCVRRESA-N 2 1 238.419 2.840 20 30 BFEDMP C=CCCCC[NH+]1CCC([N@H+](C)CC)CC1 ZINC001209208676 957354371 /nfs/dbraw/zinc/35/43/71/957354371.db2.gz XKDHNNGYKVPFAD-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000309320417 959840367 /nfs/dbraw/zinc/84/03/67/959840367.db2.gz GSUCLERINPOZCP-CQSZACIVSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222423101 972470742 /nfs/dbraw/zinc/47/07/42/972470742.db2.gz YVPUOESNZINCHI-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@]2(C1)CCCC[NH2+]2 ZINC001222423101 972470755 /nfs/dbraw/zinc/47/07/55/972470755.db2.gz YVPUOESNZINCHI-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=C(C)C[N@@H+](CC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805025 960607133 /nfs/dbraw/zinc/60/71/33/960607133.db2.gz OPDVERBZAIWNFS-UHFFFAOYSA-N 2 1 229.327 2.961 20 30 BFEDMP C=C(C)C[N@H+](CC)Cc1c[nH]c2ccncc12 ZINC001140805025 960607088 /nfs/dbraw/zinc/60/70/88/960607088.db2.gz OPDVERBZAIWNFS-UHFFFAOYSA-N 2 1 229.327 2.961 20 30 BFEDMP C=C(C)C[N@@H+](CC)Cc1cnc2cc[nH]cc1-2 ZINC001140805025 960607104 /nfs/dbraw/zinc/60/71/04/960607104.db2.gz OPDVERBZAIWNFS-UHFFFAOYSA-N 2 1 229.327 2.961 20 30 BFEDMP C=C(C)C[N@H+](CC)Cc1c[nH]c2cc[nH+]cc12 ZINC001140805025 960607143 /nfs/dbraw/zinc/60/71/43/960607143.db2.gz OPDVERBZAIWNFS-UHFFFAOYSA-N 2 1 229.327 2.961 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[NH2+]C[C@@H](C)C1 ZINC001206269688 968187821 /nfs/dbraw/zinc/18/78/21/968187821.db2.gz ROXVSJSANCBWMJ-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP C=C(C)C[N@@H+](CC)CC1CC[NH+](CC)CC1 ZINC001208597698 969152535 /nfs/dbraw/zinc/15/25/35/969152535.db2.gz KXVDOROOGCMVMU-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838369 973136748 /nfs/dbraw/zinc/13/67/48/973136748.db2.gz BPPRAWPBKZLUCV-HOCLYGCPSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@H]1CC[NH2+][C@@H](C)C1 ZINC001246838369 973136756 /nfs/dbraw/zinc/13/67/56/973136756.db2.gz BPPRAWPBKZLUCV-HOCLYGCPSA-N 2 1 244.382 2.815 20 30 BFEDMP C#CC(CC)(CC)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099940 974346995 /nfs/dbraw/zinc/34/69/95/974346995.db2.gz KUZAVNOYDDKNSK-QKDCVEJESA-N 2 1 248.414 2.783 20 30 BFEDMP C=C(C)C[N@@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128621 974351710 /nfs/dbraw/zinc/35/17/10/974351710.db2.gz SWTJJHCPYNJJLE-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[N@H+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128621 974351723 /nfs/dbraw/zinc/35/17/23/974351723.db2.gz SWTJJHCPYNJJLE-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128621 974351728 /nfs/dbraw/zinc/35/17/28/974351728.db2.gz SWTJJHCPYNJJLE-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128621 974351735 /nfs/dbraw/zinc/35/17/35/974351735.db2.gz SWTJJHCPYNJJLE-QDMKHBRRSA-N 2 1 236.403 2.900 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172489442 974835082 /nfs/dbraw/zinc/83/50/82/974835082.db2.gz RSYLLLFERKFVJH-ZFWWWQNUSA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172489442 974835086 /nfs/dbraw/zinc/83/50/86/974835086.db2.gz RSYLLLFERKFVJH-ZFWWWQNUSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001177009040 978272916 /nfs/dbraw/zinc/27/29/16/978272916.db2.gz VXDDWEMOQKSIIV-IYBDPMFKSA-N 2 1 248.414 2.760 20 30 BFEDMP C=CCCC[N@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009040 978272924 /nfs/dbraw/zinc/27/29/24/978272924.db2.gz VXDDWEMOQKSIIV-IYBDPMFKSA-N 2 1 248.414 2.760 20 30 BFEDMP C=CCCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3 ZINC001177009040 978272934 /nfs/dbraw/zinc/27/29/34/978272934.db2.gz VXDDWEMOQKSIIV-IYBDPMFKSA-N 2 1 248.414 2.760 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CCN)C(C)C)CC1 ZINC001235947893 979204653 /nfs/dbraw/zinc/20/46/53/979204653.db2.gz HFZMCVZKIDBCRW-OAHLLOKOSA-N 2 1 236.403 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+](CCN)C(C)C)CC1 ZINC001235947893 979204664 /nfs/dbraw/zinc/20/46/64/979204664.db2.gz HFZMCVZKIDBCRW-OAHLLOKOSA-N 2 1 236.403 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+](CC[NH3+])C(C)C)CC1 ZINC001235947893 979204675 /nfs/dbraw/zinc/20/46/75/979204675.db2.gz HFZMCVZKIDBCRW-OAHLLOKOSA-N 2 1 236.403 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+](CC[NH3+])C(C)C)CC1 ZINC001235947893 979204683 /nfs/dbraw/zinc/20/46/83/979204683.db2.gz HFZMCVZKIDBCRW-OAHLLOKOSA-N 2 1 236.403 2.958 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@H]([NH3+])[C@@H]1C ZINC001236413089 979587493 /nfs/dbraw/zinc/58/74/93/979587493.db2.gz AUZHAQINAKDCRV-KBPBESRZSA-N 2 1 224.392 2.935 20 30 BFEDMP CCC#C[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191099559 980968718 /nfs/dbraw/zinc/96/87/18/980968718.db2.gz NZFCVSZZJGHTCD-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP CCC#C[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191099559 980968724 /nfs/dbraw/zinc/96/87/24/980968724.db2.gz NZFCVSZZJGHTCD-HOTGVXAUSA-N 2 1 248.414 2.739 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@H]1[NH2+]C1CCC(C#N)CC1 ZINC001349607907 981593328 /nfs/dbraw/zinc/59/33/28/981593328.db2.gz FJWPGKNQEATWQE-NEXFUWMNSA-N 2 1 249.402 2.531 20 30 BFEDMP CCCCCCC[N@H+]1CCc2[nH+]ccn2CC1 ZINC001201798616 983475898 /nfs/dbraw/zinc/47/58/98/983475898.db2.gz YBYLZHXHKWVZGW-UHFFFAOYSA-N 2 1 235.375 2.712 20 30 BFEDMP CCCCCCC[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001201798616 983475908 /nfs/dbraw/zinc/47/59/08/983475908.db2.gz YBYLZHXHKWVZGW-UHFFFAOYSA-N 2 1 235.375 2.712 20 30 BFEDMP CC[C@H](CC#N)[N@H+]1CCCC[C@H](CCC[NH3+])C1 ZINC001255164485 986837925 /nfs/dbraw/zinc/83/79/25/986837925.db2.gz MVVXLFXXDAFTRK-ZIAGYGMSSA-N 2 1 237.391 2.520 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CC[C@H](C)[NH2+]C3)C[C@H](C1)C2 ZINC001246084490 987382046 /nfs/dbraw/zinc/38/20/46/987382046.db2.gz KJYFPNNEZKXZPJ-KRMXURRVSA-N 2 1 248.414 2.851 20 30 BFEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246237126 987635291 /nfs/dbraw/zinc/63/52/91/987635291.db2.gz AOJXHKRZONRXBO-UONOGXRCSA-N 2 1 244.423 2.689 20 30 BFEDMP CCCCCCCC[NH2+][C@H]1C[NH2+][C@@H](C)C1 ZINC001246244909 987645105 /nfs/dbraw/zinc/64/51/05/987645105.db2.gz SCFGDVNULJZVOJ-QWHCGFSZSA-N 2 1 212.381 2.687 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C1CCC2(CCC2)CC1 ZINC001474163497 987654288 /nfs/dbraw/zinc/65/42/88/987654288.db2.gz XHGKHYKVLQMHEU-UHFFFAOYSA-N 2 1 248.414 2.644 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C1CCC2(CCC2)CC1 ZINC001474163497 987654289 /nfs/dbraw/zinc/65/42/89/987654289.db2.gz XHGKHYKVLQMHEU-UHFFFAOYSA-N 2 1 248.414 2.644 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@H]3CCC[NH2+][C@@H]3C)C[C@H](C1)C2 ZINC001246324072 987727820 /nfs/dbraw/zinc/72/78/20/987727820.db2.gz FJYVCWBTUOPNAZ-JDOFQRQTSA-N 2 1 248.414 2.851 20 30 BFEDMP CC1(C#N)CCC([N@H+]2CCC[C@](C)([NH3+])CC2)CC1 ZINC001246553035 987950823 /nfs/dbraw/zinc/95/08/23/987950823.db2.gz QQUJFDQBFRUEOT-NRXISQOPSA-N 2 1 249.402 2.662 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246573123 988073700 /nfs/dbraw/zinc/07/37/00/988073700.db2.gz GGCIOMKCQLSECG-UONOGXRCSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612142 988242596 /nfs/dbraw/zinc/24/25/96/988242596.db2.gz HNPRVFKZVKUISY-CABCVRRESA-N 2 1 236.403 2.949 20 30 BFEDMP CCCCCCC[N@@H+](C)[C@@H](C)CC[NH2+]C ZINC001246774056 988457095 /nfs/dbraw/zinc/45/70/95/988457095.db2.gz FLSLVJNVKIUODT-ZDUSSCGKSA-N 2 1 214.397 2.887 20 30 BFEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CC[N@H+](CC1CC1)C2 ZINC001258728899 991671646 /nfs/dbraw/zinc/67/16/46/991671646.db2.gz RHRGWXCPYFBFHK-AWEZNQCLSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CCC[C@H](C)[NH+]1CC2(C1)CC[N@@H+](CC1CC1)C2 ZINC001258728899 991671652 /nfs/dbraw/zinc/67/16/52/991671652.db2.gz RHRGWXCPYFBFHK-AWEZNQCLSA-N 2 1 248.414 2.759 20 30 BFEDMP C=CCC[C@H](C)[N@@H+](C)C1CC[NH+](CC)CC1 ZINC001258734984 991684793 /nfs/dbraw/zinc/68/47/93/991684793.db2.gz LVXNPHJOHRAVRT-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[C@H](C)[N@H+](C)C1CC[NH+](CC)CC1 ZINC001258734984 991684795 /nfs/dbraw/zinc/68/47/95/991684795.db2.gz LVXNPHJOHRAVRT-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC001574544631 992874680 /nfs/dbraw/zinc/87/46/80/992874680.db2.gz FUVFZQFDPOGTDV-ZDUSSCGKSA-N 2 1 224.392 2.533 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000381389717 993392044 /nfs/dbraw/zinc/39/20/44/993392044.db2.gz NBQUJRYOXWGHMO-MJBXVCDLSA-N 2 1 224.392 2.626 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001577430084 993664524 /nfs/dbraw/zinc/66/45/24/993664524.db2.gz MXHYCLPEGDMXOP-KGLIPLIRSA-N 2 1 224.392 2.770 20 30 BFEDMP CCCCCCCCC[N@@H+](C)CC1C[NH2+]C1 ZINC001577429972 993665565 /nfs/dbraw/zinc/66/55/65/993665565.db2.gz FOHVLHVLNIRSMD-UHFFFAOYSA-N 2 1 226.408 2.888 20 30 BFEDMP C=C(C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1ccccc1 ZINC000423022028 398162051 /nfs/dbraw/zinc/16/20/51/398162051.db2.gz DLOKXJYIZVTKSQ-JKSUJKDBSA-N 2 1 244.382 2.949 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)CCC#N)CC1 ZINC000602538353 349604814 /nfs/dbraw/zinc/60/48/14/349604814.db2.gz FGLRSOCKJHJHQU-CQSZACIVSA-N 2 1 249.402 2.556 20 30 BFEDMP C=CC1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351598736 136247354 /nfs/dbraw/zinc/24/73/54/136247354.db2.gz VEGMSIKTQGVQMP-OAHLLOKOSA-N 2 1 236.403 2.759 20 30 BFEDMP C=C(C)CC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000351759734 136252640 /nfs/dbraw/zinc/25/26/40/136252640.db2.gz SOWIGMCCEDHVBP-CQSZACIVSA-N 2 1 247.386 2.641 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCCCC2)CC1 ZINC000174363124 343708134 /nfs/dbraw/zinc/70/81/34/343708134.db2.gz WVBPODMAEYOTML-UHFFFAOYSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CC[C@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000625705362 344050093 /nfs/dbraw/zinc/05/00/93/344050093.db2.gz USXNLZCXPRGDHU-HNNXBMFYSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000625705362 344050096 /nfs/dbraw/zinc/05/00/96/344050096.db2.gz USXNLZCXPRGDHU-HNNXBMFYSA-N 2 1 247.386 2.870 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H]2C2CC2)CC1 ZINC000348115095 537839393 /nfs/dbraw/zinc/83/93/93/537839393.db2.gz GYTRRDTZRIOWTK-HOTGVXAUSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000358512498 344570305 /nfs/dbraw/zinc/57/03/05/344570305.db2.gz TVUAAZPDOZWKQB-HNNXBMFYSA-N 2 1 236.403 2.616 20 30 BFEDMP CC(C)(CCC#N)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253193357 535006258 /nfs/dbraw/zinc/00/62/58/535006258.db2.gz OPNWZQGDZXMODN-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000563681538 323167763 /nfs/dbraw/zinc/16/77/63/323167763.db2.gz LANYYYOPIAJNDZ-ZDUSSCGKSA-N 2 1 235.375 2.687 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCC ZINC000336672226 350430455 /nfs/dbraw/zinc/43/04/55/350430455.db2.gz AFAUOLMLGVWONL-UONOGXRCSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCC ZINC000336672226 350430458 /nfs/dbraw/zinc/43/04/58/350430458.db2.gz AFAUOLMLGVWONL-UONOGXRCSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000126827986 353254350 /nfs/dbraw/zinc/25/43/50/353254350.db2.gz ULZYUJHXJFQHSC-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000126827986 353254354 /nfs/dbraw/zinc/25/43/54/353254354.db2.gz ULZYUJHXJFQHSC-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336767717 353275635 /nfs/dbraw/zinc/27/56/35/353275635.db2.gz TXWMTAZJDMLFHF-OLZOCXBDSA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336767717 353275638 /nfs/dbraw/zinc/27/56/38/353275638.db2.gz TXWMTAZJDMLFHF-OLZOCXBDSA-N 2 1 212.381 2.659 20 30 BFEDMP C=CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420299510 192207335 /nfs/dbraw/zinc/20/73/35/192207335.db2.gz GRMPLXQZMLKZBY-HNNXBMFYSA-N 2 1 244.382 2.674 20 30 BFEDMP C=CCCCCC[N@H+](C)CC[C@@H]1CC[NH2+]C1 ZINC000420307989 192209771 /nfs/dbraw/zinc/20/97/71/192209771.db2.gz RUAPQOTVVZMAGD-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000049553074 356480147 /nfs/dbraw/zinc/48/01/47/356480147.db2.gz WVQUSUGVCCCARG-OLZOCXBDSA-N 2 1 245.370 2.549 20 30 BFEDMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000049553076 356480245 /nfs/dbraw/zinc/48/02/45/356480245.db2.gz WVQUSUGVCCCARG-CHWSQXEVSA-N 2 1 245.370 2.549 20 30 BFEDMP C=CCCCCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000300224467 356487957 /nfs/dbraw/zinc/48/79/57/356487957.db2.gz NNNBTAVBLCMJIW-ZIAGYGMSSA-N 2 1 224.392 2.663 20 30 BFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000336222309 134139649 /nfs/dbraw/zinc/13/96/49/134139649.db2.gz USSWFSUULBSLKW-LQULJDIASA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@H]1C[C@@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000336222309 134139650 /nfs/dbraw/zinc/13/96/50/134139650.db2.gz USSWFSUULBSLKW-LQULJDIASA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@@H+]1C ZINC000336222306 134139828 /nfs/dbraw/zinc/13/98/28/134139828.db2.gz USSWFSUULBSLKW-FEWQNLEASA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@@H]1C[C@H]([NH2+]C2CCC(C)(C#N)CC2)CC[N@H+]1C ZINC000336222306 134139829 /nfs/dbraw/zinc/13/98/29/134139829.db2.gz USSWFSUULBSLKW-FEWQNLEASA-N 2 1 249.402 2.531 20 30 BFEDMP C=C(CC)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639701801 356607500 /nfs/dbraw/zinc/60/75/00/356607500.db2.gz BIWQRPAOESMQFW-UHFFFAOYSA-N 2 1 245.370 2.560 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000167752601 134153827 /nfs/dbraw/zinc/15/38/27/134153827.db2.gz SQJVASBEZMCVJF-NWDGAFQWSA-N 2 1 230.783 2.639 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000106245871 134159643 /nfs/dbraw/zinc/15/96/43/134159643.db2.gz UGIRKOAASDVQMW-UHFFFAOYSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C(C)C[N@H+](CC)CCCCn1cc[nH+]c1C ZINC000125451245 358539453 /nfs/dbraw/zinc/53/94/53/358539453.db2.gz ZFFYJYBTLCRCMG-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=C(C)C[N@@H+](CC)CCCCn1cc[nH+]c1C ZINC000125451245 358539456 /nfs/dbraw/zinc/53/94/56/358539456.db2.gz ZFFYJYBTLCRCMG-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539481 361406517 /nfs/dbraw/zinc/40/65/17/361406517.db2.gz MIIHJNYXKOMIHL-RDBSUJKOSA-N 2 1 224.392 2.851 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CCC)CC1 ZINC000152986584 201215396 /nfs/dbraw/zinc/21/53/96/201215396.db2.gz UURUUNWMLDFNSA-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459784012 203368478 /nfs/dbraw/zinc/36/84/78/203368478.db2.gz NTUQJTZYNMZFCK-KGLIPLIRSA-N 2 1 224.392 2.663 20 30 BFEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353972477 169196809 /nfs/dbraw/zinc/19/68/09/169196809.db2.gz OASCPAYNGOSDFL-SOUVJXGZSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000353972477 169196811 /nfs/dbraw/zinc/19/68/11/169196811.db2.gz OASCPAYNGOSDFL-SOUVJXGZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@@H+](C)[C@H](C)CC ZINC000300359822 384358096 /nfs/dbraw/zinc/35/80/96/384358096.db2.gz PDPVRBHAKXPFFT-QWHCGFSZSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@H+](C)[C@H](C)CC ZINC000300359822 384358100 /nfs/dbraw/zinc/35/81/00/384358100.db2.gz PDPVRBHAKXPFFT-QWHCGFSZSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367597361 384492394 /nfs/dbraw/zinc/49/23/94/384492394.db2.gz MSOQWWQFEAARHC-RBSFLKMASA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309083505 385402056 /nfs/dbraw/zinc/40/20/56/385402056.db2.gz TXWMTAZJDMLFHF-QWHCGFSZSA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309083505 385402060 /nfs/dbraw/zinc/40/20/60/385402060.db2.gz TXWMTAZJDMLFHF-QWHCGFSZSA-N 2 1 212.381 2.659 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2C)CC1 ZINC000414125415 385974940 /nfs/dbraw/zinc/97/49/40/385974940.db2.gz QEASLIGWVGXRCF-UMVBOHGHSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977045 386572331 /nfs/dbraw/zinc/57/23/31/386572331.db2.gz XKMFQAUNOBJXES-LSDHHAIUSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830041 386706759 /nfs/dbraw/zinc/70/67/59/386706759.db2.gz AJVRBCVKMHLHES-OCCSQVGLSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423357173 387207663 /nfs/dbraw/zinc/20/76/63/387207663.db2.gz HWXLZLLYJCNLSZ-HZSPNIEDSA-N 2 1 224.392 2.709 20 30 BFEDMP CC1(C#N)CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423502424 387343225 /nfs/dbraw/zinc/34/32/25/387343225.db2.gz LXNYGSCOCNFXDA-SLTAFYQDSA-N 2 1 249.402 2.566 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423507334 387345192 /nfs/dbraw/zinc/34/51/92/387345192.db2.gz IIRULGNTVFGWOA-ZIAGYGMSSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275463052 387510170 /nfs/dbraw/zinc/51/01/70/387510170.db2.gz HHIQLHFKDTUUDW-MJBXVCDLSA-N 2 1 247.386 2.636 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442632637 387809617 /nfs/dbraw/zinc/80/96/17/387809617.db2.gz FJUOAHIRKBREKZ-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000423202315 387988063 /nfs/dbraw/zinc/98/80/63/387988063.db2.gz APIMNFKKIMDWTH-ZIAGYGMSSA-N 2 1 248.370 2.876 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccco1 ZINC000423277338 388059157 /nfs/dbraw/zinc/05/91/57/388059157.db2.gz PXCNQXMAWBWTFI-CHWSQXEVSA-N 2 1 236.359 2.732 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397624 388070140 /nfs/dbraw/zinc/07/01/40/388070140.db2.gz JSFWBRXDGWZXIM-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423267203 388045367 /nfs/dbraw/zinc/04/53/67/388045367.db2.gz SXDBMXDVDVMTSI-YNEHKIRRSA-N 2 1 212.381 2.550 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000449107796 388144052 /nfs/dbraw/zinc/14/40/52/388144052.db2.gz NYVAGLYPYWDVDI-CYBMUJFWSA-N 2 1 235.375 2.916 20 30 BFEDMP C#CC[N@H+](Cc1cncn1C(C)C)C1CCCC1 ZINC000491485993 388298223 /nfs/dbraw/zinc/29/82/23/388298223.db2.gz SAFXGCJSGLARJJ-UHFFFAOYSA-N 2 1 245.370 2.842 20 30 BFEDMP C#CCN(Cc1cncn1C(C)C)C1CCCC1 ZINC000491485993 388298224 /nfs/dbraw/zinc/29/82/24/388298224.db2.gz SAFXGCJSGLARJJ-UHFFFAOYSA-N 2 1 245.370 2.842 20 30 BFEDMP C=CC[C@@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393787155 388442226 /nfs/dbraw/zinc/44/22/26/388442226.db2.gz YXNCLHHXUVEHEI-GFCCVEGCSA-N 2 1 222.376 2.558 20 30 BFEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423266388 388690363 /nfs/dbraw/zinc/69/03/63/388690363.db2.gz RVKGOLGVPLCHLH-IUODEOHRSA-N 2 1 245.370 2.582 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000554883055 388834883 /nfs/dbraw/zinc/83/48/83/388834883.db2.gz TYLGLPYNFDKUBT-SOUVJXGZSA-N 2 1 238.419 2.907 20 30 BFEDMP C=CC[N@@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000357549983 134184261 /nfs/dbraw/zinc/18/42/61/134184261.db2.gz GDUMBFAGQXIFDY-UHFFFAOYSA-N 2 1 233.359 2.622 20 30 BFEDMP C=CC[N@H+](CCCCn1cc[nH+]c1C)C1CC1 ZINC000357549983 134184262 /nfs/dbraw/zinc/18/42/62/134184262.db2.gz GDUMBFAGQXIFDY-UHFFFAOYSA-N 2 1 233.359 2.622 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CC1 ZINC000368446471 134218259 /nfs/dbraw/zinc/21/82/59/134218259.db2.gz XHZHXPAMZWMQMP-JYJNAYRXSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172576408 134267832 /nfs/dbraw/zinc/26/78/32/134267832.db2.gz UJWGRGUGLADUIP-HNNXBMFYSA-N 2 1 236.403 2.903 20 30 BFEDMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185774934 134394823 /nfs/dbraw/zinc/39/48/23/134394823.db2.gz GSRBYFMBYQNLIV-RRFJBIMHSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000338544385 135038960 /nfs/dbraw/zinc/03/89/60/135038960.db2.gz NOVSDIVTGMLJAO-QLFBSQMISA-N 2 1 236.403 2.900 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767803 135251526 /nfs/dbraw/zinc/25/15/26/135251526.db2.gz MCQGLWBKCPPURM-INIZCTEOSA-N 2 1 244.382 2.674 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261767803 135251527 /nfs/dbraw/zinc/25/15/27/135251527.db2.gz MCQGLWBKCPPURM-INIZCTEOSA-N 2 1 244.382 2.674 20 30 BFEDMP C[C@@H]1CCCC[NH+]1CC#CC[N@@H+]1CCCC[C@H]1C ZINC000263595617 135360838 /nfs/dbraw/zinc/36/08/38/135360838.db2.gz DTWOOFHEPRSPPW-HZPDHXFCSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338562086 166263894 /nfs/dbraw/zinc/26/38/94/166263894.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562086 166263897 /nfs/dbraw/zinc/26/38/97/166263897.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338562086 166263900 /nfs/dbraw/zinc/26/39/00/166263900.db2.gz ARZLVZZTTCPESX-HIFRSBDPSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338562088 166264520 /nfs/dbraw/zinc/26/45/20/166264520.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562088 166264523 /nfs/dbraw/zinc/26/45/23/166264523.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338562088 166264526 /nfs/dbraw/zinc/26/45/26/166264526.db2.gz ARZLVZZTTCPESX-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[C@@H]([NH2+]CCn1cc[nH+]c1C)C1CC1 ZINC000269590452 166294473 /nfs/dbraw/zinc/29/44/73/166294473.db2.gz CCZHZDCYTAHRQS-CQSZACIVSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278982970 166352133 /nfs/dbraw/zinc/35/21/33/166352133.db2.gz ZKGXTDKJVLZBEJ-UHFFFAOYSA-N 2 1 245.370 2.585 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000651709185 411137844 /nfs/dbraw/zinc/13/78/44/411137844.db2.gz NGOHYVWIQFCZFL-QLFBSQMISA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939225 411174516 /nfs/dbraw/zinc/17/45/16/411174516.db2.gz WAWFMMAROZGQSG-HZPDHXFCSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000657981372 411187569 /nfs/dbraw/zinc/18/75/69/411187569.db2.gz GWIWZCCUILCFIH-ZFWWWQNUSA-N 2 1 247.386 2.687 20 30 BFEDMP C=CC[C@@H]1CCCC[C@@H]1[NH2+]CCc1c[nH+]cn1C ZINC000657981369 411187713 /nfs/dbraw/zinc/18/77/13/411187713.db2.gz GWIWZCCUILCFIH-HIFRSBDPSA-N 2 1 247.386 2.687 20 30 BFEDMP C=CC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000657824177 411607623 /nfs/dbraw/zinc/60/76/23/411607623.db2.gz RZBCRUAWYQANTA-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H]1CCCC[C@@H]1[NH2+]CCn1cc[nH+]c1C ZINC000657863122 411613373 /nfs/dbraw/zinc/61/33/73/411613373.db2.gz IQAXRSUBSMIZFK-GJZGRUSLSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CCC1([NH2+]CCn2cc[nH+]c2C)CCCC1 ZINC000661851829 411902477 /nfs/dbraw/zinc/90/24/77/411902477.db2.gz GGHHHWBVCCEPJC-UHFFFAOYSA-N 2 1 233.359 2.670 20 30 BFEDMP C=CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C(C)(C)C ZINC000661760272 411871233 /nfs/dbraw/zinc/87/12/33/411871233.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C ZINC000661760272 411871237 /nfs/dbraw/zinc/87/12/37/411871237.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@H+](CC[C@@H]1CCC[NH+]1C)C(C)(C)C ZINC000661760272 411871241 /nfs/dbraw/zinc/87/12/41/411871241.db2.gz OTYBGZKYRJLKRN-ZDUSSCGKSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@H]1CCC[N@@H+]1C ZINC000662087956 411983835 /nfs/dbraw/zinc/98/38/35/411983835.db2.gz RDRANJSERNRIAN-KFWWJZLASA-N 2 1 234.387 2.654 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@H]1CCC[NH+]1C ZINC000662087956 411983838 /nfs/dbraw/zinc/98/38/38/411983838.db2.gz RDRANJSERNRIAN-KFWWJZLASA-N 2 1 234.387 2.654 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@H]1CCC[NH+]1C ZINC000662087956 411983841 /nfs/dbraw/zinc/98/38/41/411983841.db2.gz RDRANJSERNRIAN-KFWWJZLASA-N 2 1 234.387 2.654 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[NH+]2CC[C@@H]1CCC[N@@H+]1C ZINC000662087957 411984017 /nfs/dbraw/zinc/98/40/17/411984017.db2.gz RDRANJSERNRIAN-SOUVJXGZSA-N 2 1 234.387 2.654 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC[C@@H]1CCC[NH+]1C ZINC000662087957 411984018 /nfs/dbraw/zinc/98/40/18/411984018.db2.gz RDRANJSERNRIAN-SOUVJXGZSA-N 2 1 234.387 2.654 20 30 BFEDMP C=C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC[C@@H]1CCC[NH+]1C ZINC000662087957 411984021 /nfs/dbraw/zinc/98/40/21/411984021.db2.gz RDRANJSERNRIAN-SOUVJXGZSA-N 2 1 234.387 2.654 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)C(C)(C)C)CC1 ZINC000670266906 487874295 /nfs/dbraw/zinc/87/42/95/487874295.db2.gz GPSGJIRIPKODQD-ZDUSSCGKSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000570159008 323051284 /nfs/dbraw/zinc/05/12/84/323051284.db2.gz BHQWYULQLKQJAZ-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000570159008 323051285 /nfs/dbraw/zinc/05/12/85/323051285.db2.gz BHQWYULQLKQJAZ-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)C1CC1 ZINC000121087515 324003382 /nfs/dbraw/zinc/00/33/82/324003382.db2.gz JBWABAIRIUOOHZ-HIFRSBDPSA-N 2 1 236.403 2.663 20 30 BFEDMP CCC#C[C@@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478984 488048166 /nfs/dbraw/zinc/04/81/66/488048166.db2.gz FKPVPXPHFUIEPI-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478984 488048168 /nfs/dbraw/zinc/04/81/68/488048168.db2.gz FKPVPXPHFUIEPI-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000677478984 488048170 /nfs/dbraw/zinc/04/81/70/488048170.db2.gz FKPVPXPHFUIEPI-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000677478984 488048172 /nfs/dbraw/zinc/04/81/72/488048172.db2.gz FKPVPXPHFUIEPI-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478986 488048643 /nfs/dbraw/zinc/04/86/43/488048643.db2.gz FKPVPXPHFUIEPI-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000677478986 488048649 /nfs/dbraw/zinc/04/86/49/488048649.db2.gz FKPVPXPHFUIEPI-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000677478986 488048651 /nfs/dbraw/zinc/04/86/51/488048651.db2.gz FKPVPXPHFUIEPI-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000677478986 488048656 /nfs/dbraw/zinc/04/86/56/488048656.db2.gz FKPVPXPHFUIEPI-HUUCEWRRSA-N 2 1 236.403 2.595 20 30 BFEDMP C=CC[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000678213717 488218489 /nfs/dbraw/zinc/21/84/89/488218489.db2.gz CTYCUGUCPULSOP-UHFFFAOYSA-N 2 1 232.371 2.756 20 30 BFEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000358615503 534373746 /nfs/dbraw/zinc/37/37/46/534373746.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000358615503 534373752 /nfs/dbraw/zinc/37/37/52/534373752.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000358615503 534373764 /nfs/dbraw/zinc/37/37/64/534373764.db2.gz NQSOAMPGLBUVNT-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP CC[NH+](CC#CC[N@H+](CC)C1CCC1)C1CCC1 ZINC000341885520 535766338 /nfs/dbraw/zinc/76/63/38/535766338.db2.gz DYMHGQOSCKSYIC-UHFFFAOYSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CC2CC[NH+](C)CC2)C1 ZINC000895339287 583653331 /nfs/dbraw/zinc/65/33/31/583653331.db2.gz ZRWIFFCZXSDSHM-CQSZACIVSA-N 2 1 236.403 2.616 20 30 BFEDMP C#CC[N@H+](CCCc1cnccc1C)C(C)C ZINC000897171089 583889237 /nfs/dbraw/zinc/88/92/37/583889237.db2.gz PYZGEEPXWIDMOV-UHFFFAOYSA-N 2 1 230.355 2.666 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764808 584797330 /nfs/dbraw/zinc/79/73/30/584797330.db2.gz BNJGRCZFTBHKMJ-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903768836 584797836 /nfs/dbraw/zinc/79/78/36/584797836.db2.gz SBFJATQAXHIVIA-UONOGXRCSA-N 2 1 249.402 2.662 20 30 BFEDMP C=C(Cl)C[N@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812632 584803535 /nfs/dbraw/zinc/80/35/35/584803535.db2.gz VDRFXRIXHJIKCX-GFCCVEGCSA-N 2 1 242.794 2.722 20 30 BFEDMP C=C(Cl)C[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903812632 584803536 /nfs/dbraw/zinc/80/35/36/584803536.db2.gz VDRFXRIXHJIKCX-GFCCVEGCSA-N 2 1 242.794 2.722 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@@H]1CCCC[NH2+]C1 ZINC000903850420 584808334 /nfs/dbraw/zinc/80/83/34/584808334.db2.gz QIPUFJSCCWQTJB-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP C#CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000767351301 585517347 /nfs/dbraw/zinc/51/73/47/585517347.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000767351301 585517348 /nfs/dbraw/zinc/51/73/48/585517348.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000767351301 585517349 /nfs/dbraw/zinc/51/73/49/585517349.db2.gz ZXXOZLCLAHGSRL-HNNXBMFYSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000815652643 586690149 /nfs/dbraw/zinc/69/01/49/586690149.db2.gz LBSCCBAFDMOTCV-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)CCCC ZINC000815652643 586690151 /nfs/dbraw/zinc/69/01/51/586690151.db2.gz LBSCCBAFDMOTCV-GJZGRUSLSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000817932986 586841170 /nfs/dbraw/zinc/84/11/70/586841170.db2.gz YUGYDPLWVBKQMF-UONOGXRCSA-N 2 1 224.392 2.711 20 30 BFEDMP C=CCCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000817932984 586841291 /nfs/dbraw/zinc/84/12/91/586841291.db2.gz YUGYDPLWVBKQMF-KBPBESRZSA-N 2 1 224.392 2.711 20 30 BFEDMP CCCCCCC[N@@H+]1CCNC[C@@](C)(F)C1 ZINC000843387391 588105735 /nfs/dbraw/zinc/10/57/35/588105735.db2.gz GRUQPLMOYVCSKP-CYBMUJFWSA-N 2 1 230.371 2.590 20 30 BFEDMP CCCCCCC[N@H+]1CCNC[C@@](C)(F)C1 ZINC000843387391 588105736 /nfs/dbraw/zinc/10/57/36/588105736.db2.gz GRUQPLMOYVCSKP-CYBMUJFWSA-N 2 1 230.371 2.590 20 30 BFEDMP C#CCCCCCC[NH2+]CCCn1cc[nH+]c1C ZINC000876945794 590259929 /nfs/dbraw/zinc/25/99/29/590259929.db2.gz CJBIHXQXDPZVRA-UHFFFAOYSA-N 2 1 247.386 2.755 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000877026556 590271036 /nfs/dbraw/zinc/27/10/36/590271036.db2.gz BYSWBWXINRAGFV-OAHLLOKOSA-N 2 1 236.403 2.502 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877738212 590405351 /nfs/dbraw/zinc/40/53/51/590405351.db2.gz APCPLTVOBMKFRQ-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877738212 590405352 /nfs/dbraw/zinc/40/53/52/590405352.db2.gz APCPLTVOBMKFRQ-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738212 590405353 /nfs/dbraw/zinc/40/53/53/590405353.db2.gz APCPLTVOBMKFRQ-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000877738212 590405354 /nfs/dbraw/zinc/40/53/54/590405354.db2.gz APCPLTVOBMKFRQ-HOTGVXAUSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000878136085 590505134 /nfs/dbraw/zinc/50/51/34/590505134.db2.gz REQMIHUDIDAHLK-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000878136085 590505135 /nfs/dbraw/zinc/50/51/35/590505135.db2.gz REQMIHUDIDAHLK-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000878149350 590506177 /nfs/dbraw/zinc/50/61/77/590506177.db2.gz WHNVUELNVTWUSW-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000878157123 590508942 /nfs/dbraw/zinc/50/89/42/590508942.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000878157123 590508943 /nfs/dbraw/zinc/50/89/43/590508943.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000878157123 590508945 /nfs/dbraw/zinc/50/89/45/590508945.db2.gz VSVCDASGLUWEAW-ZFWWWQNUSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286239 590534459 /nfs/dbraw/zinc/53/44/59/590534459.db2.gz LVNBDJHCRCELSC-SQWLQELKSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286239 590534460 /nfs/dbraw/zinc/53/44/60/590534460.db2.gz LVNBDJHCRCELSC-SQWLQELKSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286239 590534463 /nfs/dbraw/zinc/53/44/63/590534463.db2.gz LVNBDJHCRCELSC-SQWLQELKSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286239 590534465 /nfs/dbraw/zinc/53/44/65/590534465.db2.gz LVNBDJHCRCELSC-SQWLQELKSA-N 2 1 248.414 2.900 20 30 BFEDMP CC#CCC[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950494 590895646 /nfs/dbraw/zinc/89/56/46/590895646.db2.gz RVYUKCIQKMVCTD-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP C=CCC[NH+]1CCC(c2[nH]c(C)c(C)[nH+]2)CC1 ZINC000886661319 592294923 /nfs/dbraw/zinc/29/49/23/592294923.db2.gz RPBARGZDTQOWBX-UHFFFAOYSA-N 2 1 233.359 2.782 20 30 BFEDMP CCC1([NH+]2CCC2)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000886715765 592309425 /nfs/dbraw/zinc/30/94/25/592309425.db2.gz DDGXNGRHAILEHI-AWEZNQCLSA-N 2 1 249.402 2.629 20 30 BFEDMP CCCCCCC[N@@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512753 640241178 /nfs/dbraw/zinc/24/11/78/640241178.db2.gz MCWIIBKOTDKHMY-UHFFFAOYSA-N 2 1 247.386 2.992 20 30 BFEDMP CCCCCCC[N@H+]1CCc2[nH+]ccc(N)c2C1 ZINC000931512753 640241181 /nfs/dbraw/zinc/24/11/81/640241181.db2.gz MCWIIBKOTDKHMY-UHFFFAOYSA-N 2 1 247.386 2.992 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C ZINC000931620168 640287624 /nfs/dbraw/zinc/28/76/24/640287624.db2.gz FANIMYIWIATTDU-JKSUJKDBSA-N 2 1 248.414 2.739 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000164668581 640494714 /nfs/dbraw/zinc/49/47/14/640494714.db2.gz NLAUCWSWXOTRPO-UONOGXRCSA-N 2 1 226.408 2.874 20 30 BFEDMP C#CCC1([NH2+]CCn2cc[nH+]c2C)CCCCC1 ZINC000933266821 640694365 /nfs/dbraw/zinc/69/43/65/640694365.db2.gz ZRXBEEJDTHSNOO-UHFFFAOYSA-N 2 1 245.370 2.507 20 30 BFEDMP C=CCCCCC[NH+]1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000933731473 640753327 /nfs/dbraw/zinc/75/33/27/640753327.db2.gz APPMKJLULBZRHT-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933731473 640753333 /nfs/dbraw/zinc/75/33/33/640753333.db2.gz APPMKJLULBZRHT-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000933731473 640753338 /nfs/dbraw/zinc/75/33/38/640753338.db2.gz APPMKJLULBZRHT-CABCVRRESA-N 2 1 236.403 2.616 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000059089457 640784660 /nfs/dbraw/zinc/78/46/60/640784660.db2.gz NKBPZJLGBJQRQB-ZDUSSCGKSA-N 2 1 212.381 2.628 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1CCC[N@@H+]1CC[C@H]1CC=C ZINC000934461059 641154357 /nfs/dbraw/zinc/15/43/57/641154357.db2.gz PGRKVOQIEFWPIT-HUUCEWRRSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CC[C@H]1CC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000934469788 641163998 /nfs/dbraw/zinc/16/39/98/641163998.db2.gz GQSROVFAJRABKW-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@H]1CC[N@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000934469788 641164006 /nfs/dbraw/zinc/16/40/06/641164006.db2.gz GQSROVFAJRABKW-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@H]1CC[N@@H+]1CC[C@@H]1CCCC[NH+]1C ZINC000934469788 641164012 /nfs/dbraw/zinc/16/40/12/641164012.db2.gz GQSROVFAJRABKW-KBPBESRZSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCC[N@H+](CC)CC[C@@H]1CCC[NH+]1C ZINC000934646085 641231931 /nfs/dbraw/zinc/23/19/31/641231931.db2.gz HTQUEEZHOOGIPQ-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](CC)CC[C@@H]1CCC[N@@H+]1C ZINC000934646085 641231936 /nfs/dbraw/zinc/23/19/36/641231936.db2.gz HTQUEEZHOOGIPQ-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCC[NH+](CC)CC[C@@H]1CCC[N@H+]1C ZINC000934646085 641231942 /nfs/dbraw/zinc/23/19/42/641231942.db2.gz HTQUEEZHOOGIPQ-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459784 644435947 /nfs/dbraw/zinc/43/59/47/644435947.db2.gz GECWASIEURYRFV-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923459784 644435954 /nfs/dbraw/zinc/43/59/54/644435954.db2.gz GECWASIEURYRFV-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CCCC[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925655850 646393319 /nfs/dbraw/zinc/39/33/19/646393319.db2.gz WZFFCNPOYSNIKT-JSGCOSHPSA-N 2 1 218.344 2.631 20 30 BFEDMP C=C1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000724570711 710742175 /nfs/dbraw/zinc/74/21/75/710742175.db2.gz GRGJDDMLSDWFRB-HOTGVXAUSA-N 2 1 248.414 2.949 20 30 BFEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000724565979 710742197 /nfs/dbraw/zinc/74/21/97/710742197.db2.gz JIWLMLQUQUAGRU-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(Cl)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000252949385 711651208 /nfs/dbraw/zinc/65/12/08/711651208.db2.gz BXBVBEYKAUXYHN-YNEHKIRRSA-N 2 1 242.794 2.639 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@@](C)([NH3+])C1 ZINC001204763408 963376622 /nfs/dbraw/zinc/37/66/22/963376622.db2.gz JDVWGZIPSDYZHA-CQSZACIVSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCC[N@H+](C)CCC[NH+](C)C ZINC000347489906 968277624 /nfs/dbraw/zinc/27/76/24/968277624.db2.gz UFPZEKBNOQJWEI-UHFFFAOYSA-N 2 1 212.381 2.616 20 30 BFEDMP C=CC[NH+](C[C@@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC001208614284 969168771 /nfs/dbraw/zinc/16/87/71/969168771.db2.gz CUQCVMPFYQIPIE-CYBMUJFWSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[N@@H+](C[C@@H]1CCC[NH+](C)C1)C(C)(C)C ZINC001208614284 969168793 /nfs/dbraw/zinc/16/87/93/969168793.db2.gz CUQCVMPFYQIPIE-CYBMUJFWSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[N@H+](C[C@@H]1CCC[NH+](C)C1)C(C)(C)C ZINC001208614284 969168798 /nfs/dbraw/zinc/16/87/98/969168798.db2.gz CUQCVMPFYQIPIE-CYBMUJFWSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001209422977 969487412 /nfs/dbraw/zinc/48/74/12/969487412.db2.gz BGROPAMMDMLEIK-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2CCCN(C)[C@H]2C1 ZINC001209432443 969505079 /nfs/dbraw/zinc/50/50/79/969505079.db2.gz FGXYXPBLRYJZCK-CABCVRRESA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+](CC=C)C1CC[NH+](C(C)(C)C)CC1 ZINC001256573797 970866956 /nfs/dbraw/zinc/86/69/56/970866956.db2.gz OKNRUMCXXCMRQI-UHFFFAOYSA-N 2 1 236.403 2.923 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]CC[C@H]3C)C[C@H](C1)C2 ZINC001246101313 972158262 /nfs/dbraw/zinc/15/82/62/972158262.db2.gz JZSREYUBRPESGV-WOFIAXNJSA-N 2 1 248.414 2.709 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001222237728 972420156 /nfs/dbraw/zinc/42/01/56/972420156.db2.gz RBZSCVCJLWZQFH-AWEZNQCLSA-N 2 1 222.376 2.561 20 30 BFEDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695840484 960510581 /nfs/dbraw/zinc/51/05/81/960510581.db2.gz BSVWLNMFQVUAGY-QWHCGFSZSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162394293 964957427 /nfs/dbraw/zinc/95/74/27/964957427.db2.gz OSPINZPSXSPPDU-ZIAGYGMSSA-N 2 1 245.370 2.800 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@](C)([NH3+])C1 ZINC001204938126 967246999 /nfs/dbraw/zinc/24/69/99/967246999.db2.gz JCAMDVUAAUAGOV-ZDUSSCGKSA-N 2 1 212.381 2.770 20 30 BFEDMP C=CCCCC[N@@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001206541903 968369298 /nfs/dbraw/zinc/36/92/98/968369298.db2.gz NCPWTZRKUFXPIF-AWEZNQCLSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CCCCC[N@@H+]1CCCC[C@](C)(C[NH3+])C1 ZINC001206541904 968369481 /nfs/dbraw/zinc/36/94/81/968369481.db2.gz NCPWTZRKUFXPIF-CQSZACIVSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CCCCC[N@H+](C)CC1CC[NH+](C)CC1 ZINC001207399846 968751628 /nfs/dbraw/zinc/75/16/28/968751628.db2.gz WITQTJQKXYRIOM-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000829178366 968825079 /nfs/dbraw/zinc/82/50/79/968825079.db2.gz DREMFRQBHVMRET-HZSPNIEDSA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000829178366 968825087 /nfs/dbraw/zinc/82/50/87/968825087.db2.gz DREMFRQBHVMRET-HZSPNIEDSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[NH+](C[C@@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC001208614284 969168765 /nfs/dbraw/zinc/16/87/65/969168765.db2.gz CUQCVMPFYQIPIE-CYBMUJFWSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(C)C[N@H+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144126 969459909 /nfs/dbraw/zinc/45/99/09/969459909.db2.gz JDJZJYDAWLPUHS-BTTYYORXSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144126 969459914 /nfs/dbraw/zinc/45/99/14/969459914.db2.gz JDJZJYDAWLPUHS-BTTYYORXSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144126 969459919 /nfs/dbraw/zinc/45/99/19/969459919.db2.gz JDJZJYDAWLPUHS-BTTYYORXSA-N 2 1 222.376 2.510 20 30 BFEDMP C=CCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001209422977 969487408 /nfs/dbraw/zinc/48/74/08/969487408.db2.gz BGROPAMMDMLEIK-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP CC[C@@H](CC#N)[N@@H+](CC1CC1)[C@H]1CC[C@H]([NH3+])CC1 ZINC001255160856 969969996 /nfs/dbraw/zinc/96/99/96/969969996.db2.gz RAFPODVCZBDRKR-KKUMJFAQSA-N 2 1 249.402 2.661 20 30 BFEDMP C[C@@H](CCCC#N)[N@H+]1CCC[C@@](C)(C[NH3+])CC1 ZINC001246574690 972870641 /nfs/dbraw/zinc/87/06/41/972870641.db2.gz IQKFCLACVXGDDS-UONOGXRCSA-N 2 1 237.391 2.520 20 30 BFEDMP C#CC(CC)(CC)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172099935 974344926 /nfs/dbraw/zinc/34/49/26/974344926.db2.gz KUZAVNOYDDKNSK-QDMKHBRRSA-N 2 1 248.414 2.783 20 30 BFEDMP C=C(C)C[N@@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128619 974351510 /nfs/dbraw/zinc/35/15/10/974351510.db2.gz SWTJJHCPYNJJLE-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[N@H+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC001172128619 974351517 /nfs/dbraw/zinc/35/15/17/974351517.db2.gz SWTJJHCPYNJJLE-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172128619 974351527 /nfs/dbraw/zinc/35/15/27/974351527.db2.gz SWTJJHCPYNJJLE-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172128619 974351537 /nfs/dbraw/zinc/35/15/37/974351537.db2.gz SWTJJHCPYNJJLE-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCC[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172104342 974368430 /nfs/dbraw/zinc/36/84/30/974368430.db2.gz BPFHIGZQXAGEHJ-ZSOGYDGISA-N 2 1 222.376 2.558 20 30 BFEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172497255 974846740 /nfs/dbraw/zinc/84/67/40/974846740.db2.gz AIFFVJZAZUINKF-ZDUSSCGKSA-N 2 1 249.402 2.627 20 30 BFEDMP C[C@@H](CCCC#N)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172497255 974846743 /nfs/dbraw/zinc/84/67/43/974846743.db2.gz AIFFVJZAZUINKF-ZDUSSCGKSA-N 2 1 249.402 2.627 20 30 BFEDMP C[C@H](CCCC#N)[NH+]1CCC([N@H+](C)C2CC2)CC1 ZINC001172497254 974848758 /nfs/dbraw/zinc/84/87/58/974848758.db2.gz AIFFVJZAZUINKF-CYBMUJFWSA-N 2 1 249.402 2.627 20 30 BFEDMP C[C@H](CCCC#N)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001172497254 974848761 /nfs/dbraw/zinc/84/87/61/974848761.db2.gz AIFFVJZAZUINKF-CYBMUJFWSA-N 2 1 249.402 2.627 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016822 978955509 /nfs/dbraw/zinc/95/55/09/978955509.db2.gz IQLBQBBONYFPJN-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC001235016822 978955513 /nfs/dbraw/zinc/95/55/13/978955513.db2.gz IQLBQBBONYFPJN-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])CC[C@H]1C ZINC001235893964 979174838 /nfs/dbraw/zinc/17/48/38/979174838.db2.gz YVGQUBMJEBIYNH-ZIAGYGMSSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@H]1C ZINC001235893961 979186468 /nfs/dbraw/zinc/18/64/68/979186468.db2.gz YVGQUBMJEBIYNH-KGLIPLIRSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235978857 979233071 /nfs/dbraw/zinc/23/30/71/979233071.db2.gz KRBPRIIODVQPFI-HUUCEWRRSA-N 2 1 236.403 2.936 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2CC[C@@]2([NH3+])C1 ZINC001235980566 979252819 /nfs/dbraw/zinc/25/28/19/979252819.db2.gz QJOARDXCWLJCCM-UONOGXRCSA-N 2 1 224.392 2.770 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235981540 979262694 /nfs/dbraw/zinc/26/26/94/979262694.db2.gz WRWYINDDCSWUTP-OAGGEKHMSA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235981540 979262701 /nfs/dbraw/zinc/26/27/01/979262701.db2.gz WRWYINDDCSWUTP-OAGGEKHMSA-N 2 1 246.398 2.712 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@H]([NH3+])[C@H]1C ZINC001236413092 979586457 /nfs/dbraw/zinc/58/64/57/979586457.db2.gz AUZHAQINAKDCRV-ZIAGYGMSSA-N 2 1 224.392 2.935 20 30 BFEDMP CCCCCCCC[N@@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433780 979600751 /nfs/dbraw/zinc/60/07/51/979600751.db2.gz IMVMKMYMFNCNIJ-ZDUSSCGKSA-N 2 1 230.371 2.720 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@](F)(C[NH3+])C1 ZINC001236433780 979600755 /nfs/dbraw/zinc/60/07/55/979600755.db2.gz IMVMKMYMFNCNIJ-ZDUSSCGKSA-N 2 1 230.371 2.720 20 30 BFEDMP CCCCCCCC[N@@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433779 979601087 /nfs/dbraw/zinc/60/10/87/979601087.db2.gz IMVMKMYMFNCNIJ-CYBMUJFWSA-N 2 1 230.371 2.720 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@](F)(C[NH3+])C1 ZINC001236433779 979601092 /nfs/dbraw/zinc/60/10/92/979601092.db2.gz IMVMKMYMFNCNIJ-CYBMUJFWSA-N 2 1 230.371 2.720 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])CC1 ZINC001205602753 981167663 /nfs/dbraw/zinc/16/76/63/981167663.db2.gz MESLOUNBGLMCGY-KGLIPLIRSA-N 2 1 224.392 2.650 20 30 BFEDMP C#CCCC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213610 983806527 /nfs/dbraw/zinc/80/65/27/983806527.db2.gz XHCROWQOQTXCJN-UHFFFAOYSA-N 2 1 244.382 2.593 20 30 BFEDMP CC[C@@H](CC#N)[NH2+]Cc1ccc(C[NH+](C)C)cc1 ZINC001255153213 986827343 /nfs/dbraw/zinc/82/73/43/986827343.db2.gz RHUBOUBVCODGGU-HNNXBMFYSA-N 2 1 245.370 2.530 20 30 BFEDMP CCCCCCC[C@@H](CC)[NH2+]CC[NH3+] ZINC001246083036 987380772 /nfs/dbraw/zinc/38/07/72/987380772.db2.gz ZKTUCEUCFRIZOY-GFCCVEGCSA-N 2 1 200.370 2.674 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135211 987495643 /nfs/dbraw/zinc/49/56/43/987495643.db2.gz RFKVVUPMQDTNSH-RDBSUJKOSA-N 2 1 224.392 2.687 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+]C[C@H]3CCCC[NH2+]3)C[C@H](C1)C2 ZINC001246169470 987531851 /nfs/dbraw/zinc/53/18/51/987531851.db2.gz OBTKTYFIVUKDEV-IUOOZAAYSA-N 2 1 248.414 2.853 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(C)CC1 ZINC001473716911 987540188 /nfs/dbraw/zinc/54/01/88/987540188.db2.gz NFVIUSZUOJMHMC-MRXNPFEDSA-N 2 1 248.414 2.596 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+][C@H](C)C[NH3+] ZINC001246199933 987594198 /nfs/dbraw/zinc/59/41/98/987594198.db2.gz MEOZDWDLOPFLEF-VXGBXAGGSA-N 2 1 200.370 2.672 20 30 BFEDMP CCCCCCCC[NH2+][C@H]1C[NH2+][C@H](C)C1 ZINC001246244904 987645671 /nfs/dbraw/zinc/64/56/71/987645671.db2.gz SCFGDVNULJZVOJ-CHWSQXEVSA-N 2 1 212.381 2.687 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@@]12CC[NH2+]C2 ZINC001246644046 988357706 /nfs/dbraw/zinc/35/77/06/988357706.db2.gz PCSQRWPFFPLSCQ-KBPBESRZSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CC[N@@H+](C1CCCCC1)C1CC[NH2+]CC1 ZINC001246944012 988782302 /nfs/dbraw/zinc/78/23/02/988782302.db2.gz AHBMCXLFZKQOPR-UHFFFAOYSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CC[N@@H+](C1CCCCC1)[C@H]1CC[NH2+][C@H](C)C1 ZINC001246948497 988787955 /nfs/dbraw/zinc/78/79/55/988787955.db2.gz KKIPNBNIHMXCCE-HIFRSBDPSA-N 2 1 236.403 2.948 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]CC2CCCCC2)CC1 ZINC001560313755 991454415 /nfs/dbraw/zinc/45/44/15/991454415.db2.gz QUDQMQNQAXDRHP-UHFFFAOYSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCC[C@H](C)[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001258732431 991676203 /nfs/dbraw/zinc/67/62/03/991676203.db2.gz LLQXFTGGIFCZIL-ZDUSSCGKSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001258734314 991680073 /nfs/dbraw/zinc/68/00/73/991680073.db2.gz WMYJLCRCXJTFKI-SOUVJXGZSA-N 2 1 236.403 2.615 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001574907717 992941889 /nfs/dbraw/zinc/94/18/89/992941889.db2.gz YVYRXKQICBOOIT-OAHLLOKOSA-N 2 1 236.403 2.808 20 30 BFEDMP CCCCCCC[N@H+]1CC[NH2+][C@H](C)CC1 ZINC000382755361 993467886 /nfs/dbraw/zinc/46/78/86/993467886.db2.gz MLOMZPLMLDLUAI-CYBMUJFWSA-N 2 1 212.381 2.641 20 30 BFEDMP C=C(C)C[N@H+](C)[C@@H]1CCC[NH+](CC(=C)C)CC1 ZINC000156968020 136213697 /nfs/dbraw/zinc/21/36/97/136213697.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=C(C)C[NH+](C)[C@@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000156968020 136213698 /nfs/dbraw/zinc/21/36/98/136213698.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=C(C)C[NH+](C)[C@@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000156968020 136213699 /nfs/dbraw/zinc/21/36/99/136213699.db2.gz YKBJRLLPEIQOPT-OAHLLOKOSA-N 2 1 236.403 2.925 20 30 BFEDMP C=C(C)C[N@H+](C)[C@H]1CCC[NH+](CC(=C)C)CC1 ZINC000156967847 136213724 /nfs/dbraw/zinc/21/37/24/136213724.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=C(C)C[NH+](C)[C@H]1CCC[N@H+](CC(=C)C)CC1 ZINC000156967847 136213725 /nfs/dbraw/zinc/21/37/25/136213725.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=C(C)C[NH+](C)[C@H]1CCC[N@@H+](CC(=C)C)CC1 ZINC000156967847 136213726 /nfs/dbraw/zinc/21/37/26/136213726.db2.gz YKBJRLLPEIQOPT-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344290823 365676270 /nfs/dbraw/zinc/67/62/70/365676270.db2.gz CVQGVIJZTAGCAX-SOUVJXGZSA-N 2 1 236.403 2.948 20 30 BFEDMP CC(C)[NH+](CC[NH2+]C[C@@H](C)CCC#N)C(C)C ZINC000602508886 349584369 /nfs/dbraw/zinc/58/43/69/349584369.db2.gz NDBAWKFLICBHQB-AWEZNQCLSA-N 2 1 239.407 2.635 20 30 BFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602655894 349661981 /nfs/dbraw/zinc/66/19/81/349661981.db2.gz RAMQUJVZEQHEJA-NRXISQOPSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602655894 349661983 /nfs/dbraw/zinc/66/19/83/349661983.db2.gz RAMQUJVZEQHEJA-NRXISQOPSA-N 2 1 249.402 2.533 20 30 BFEDMP CC[N@@H+](CCC[NH+](C)C)CC(C)(C)CCC#N ZINC000349383323 136343986 /nfs/dbraw/zinc/34/39/86/136343986.db2.gz LRJHXRJKJNHMPP-UHFFFAOYSA-N 2 1 239.407 2.590 20 30 BFEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000253193458 535007401 /nfs/dbraw/zinc/00/74/01/535007401.db2.gz OPNWZQGDZXMODN-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310002312 347217996 /nfs/dbraw/zinc/21/79/96/347217996.db2.gz FHMSEMZZUIKXPX-MELADBBJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310002312 347217997 /nfs/dbraw/zinc/21/79/97/347217997.db2.gz FHMSEMZZUIKXPX-MELADBBJSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CC[C@@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513132 362940008 /nfs/dbraw/zinc/94/00/08/362940008.db2.gz JSUDYWVPZMWTHI-CHWSQXEVSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000120331988 323981900 /nfs/dbraw/zinc/98/19/00/323981900.db2.gz TYIYYDGVUWTHQD-LSDHHAIUSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCCC[N@H+](C)Cc1cccc2nccn21 ZINC000180343002 353392772 /nfs/dbraw/zinc/39/27/72/353392772.db2.gz AWKKPPNPNPPFIO-UHFFFAOYSA-N 2 1 229.327 2.732 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@@H+](C)[C@@H](C)CC ZINC000230660532 363317719 /nfs/dbraw/zinc/31/77/19/363317719.db2.gz PDPVRBHAKXPFFT-OLZOCXBDSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@H+](C)[C@@H](C)CC ZINC000230660532 363317724 /nfs/dbraw/zinc/31/77/24/363317724.db2.gz PDPVRBHAKXPFFT-OLZOCXBDSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCCCCC[N@H+](C)CC[C@H]1CC[NH2+]C1 ZINC000420307990 192211044 /nfs/dbraw/zinc/21/10/44/192211044.db2.gz RUAPQOTVVZMAGD-CQSZACIVSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300225636 356487783 /nfs/dbraw/zinc/48/77/83/356487783.db2.gz TXJUOVGKRNMXET-KGLIPLIRSA-N 2 1 224.392 2.805 20 30 BFEDMP C=C(C)CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684139 356600749 /nfs/dbraw/zinc/60/07/49/356600749.db2.gz RREBKCPZABIQFY-UHFFFAOYSA-N 2 1 245.370 2.560 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C2CC3(CCC3)C2)CC1 ZINC000448069184 200699041 /nfs/dbraw/zinc/69/90/41/200699041.db2.gz ZSUDPDORKNAIRF-UHFFFAOYSA-N 2 1 248.414 2.949 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000384875308 367747713 /nfs/dbraw/zinc/74/77/13/367747713.db2.gz RYUNJVFOCMSCCJ-RWMBFGLXSA-N 2 1 224.392 2.517 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727049 203341771 /nfs/dbraw/zinc/34/17/71/203341771.db2.gz HBMMQCUBPSFTCG-ZNMIVQPWSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459727047 203342408 /nfs/dbraw/zinc/34/24/08/203342408.db2.gz HBMMQCUBPSFTCG-SOUVJXGZSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120987 371321592 /nfs/dbraw/zinc/32/15/92/371321592.db2.gz LHCSIISYCBCXGD-RRFJBIMHSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624122206 371323593 /nfs/dbraw/zinc/32/35/93/371323593.db2.gz MERPKMSJODHBGS-KBPBESRZSA-N 2 1 224.392 2.663 20 30 BFEDMP C=C(C)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000041626178 384728580 /nfs/dbraw/zinc/72/85/80/384728580.db2.gz UTVJGTZEMFBTAE-UHFFFAOYSA-N 2 1 244.382 2.817 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000309083504 385402217 /nfs/dbraw/zinc/40/22/17/385402217.db2.gz TXWMTAZJDMLFHF-CHWSQXEVSA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000309083504 385402219 /nfs/dbraw/zinc/40/22/19/385402219.db2.gz TXWMTAZJDMLFHF-CHWSQXEVSA-N 2 1 212.381 2.659 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000182183860 385433261 /nfs/dbraw/zinc/43/32/61/385433261.db2.gz UVXYSHYZOQULCB-MJBXVCDLSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000182183860 385433263 /nfs/dbraw/zinc/43/32/63/385433263.db2.gz UVXYSHYZOQULCB-MJBXVCDLSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCC[C@@H]([NH2+][C@H](C[NH3+])CCCC)C1CC1 ZINC000423303814 387136736 /nfs/dbraw/zinc/13/67/36/387136736.db2.gz XOILORVUXMXURY-UONOGXRCSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535269 387362258 /nfs/dbraw/zinc/36/22/58/387362258.db2.gz XGIFTXMYUOTOGC-VNQPRFMTSA-N 2 1 244.382 2.686 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000643501228 387349115 /nfs/dbraw/zinc/34/91/15/387349115.db2.gz AQKKOTGNXHFWIK-UONOGXRCSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275463049 387509463 /nfs/dbraw/zinc/50/94/63/387509463.db2.gz HHIQLHFKDTUUDW-IHRRRGAJSA-N 2 1 247.386 2.636 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527927996 387792870 /nfs/dbraw/zinc/79/28/70/387792870.db2.gz SPEJQLFNXONKSW-UONOGXRCSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000527929772 387795125 /nfs/dbraw/zinc/79/51/25/387795125.db2.gz WLGMXILEERPNCO-MELADBBJSA-N 2 1 238.419 2.907 20 30 BFEDMP CC[C@@H]1CCCC[N@@H+]1CCN[C@@H]1CC[C@H](C#N)C1 ZINC000442781917 387839486 /nfs/dbraw/zinc/83/94/86/387839486.db2.gz OXTUWYGOVJIDDR-RRFJBIMHSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC1 ZINC000438977674 387969305 /nfs/dbraw/zinc/96/93/05/387969305.db2.gz LGYWKMRPQXFDAP-QEJZJMRPSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CC1 ZINC000438977674 387969309 /nfs/dbraw/zinc/96/93/09/387969309.db2.gz LGYWKMRPQXFDAP-QEJZJMRPSA-N 2 1 236.403 2.804 20 30 BFEDMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000453401485 388074068 /nfs/dbraw/zinc/07/40/68/388074068.db2.gz MXAZFFCHCBQLFM-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@H](C[NH3+])CCCC ZINC000423297699 388080234 /nfs/dbraw/zinc/08/02/34/388080234.db2.gz LLIFGTVMJFKYEX-OLZOCXBDSA-N 2 1 212.381 2.838 20 30 BFEDMP C=C[C@@H]1CCCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000489484732 388216920 /nfs/dbraw/zinc/21/69/20/388216920.db2.gz XOTHMGNMKZEFPI-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000489484732 388216922 /nfs/dbraw/zinc/21/69/22/388216922.db2.gz XOTHMGNMKZEFPI-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@@H]1CCCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000489484732 388216923 /nfs/dbraw/zinc/21/69/23/388216923.db2.gz XOTHMGNMKZEFPI-KGLIPLIRSA-N 2 1 222.376 2.511 20 30 BFEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423262226 388689180 /nfs/dbraw/zinc/68/91/80/388689180.db2.gz MBCZXKHOAXKOCU-WFASDCNBSA-N 2 1 245.370 2.582 20 30 BFEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423266389 388689688 /nfs/dbraw/zinc/68/96/88/388689688.db2.gz RVKGOLGVPLCHLH-SWLSCSKDSA-N 2 1 245.370 2.582 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554883056 388834736 /nfs/dbraw/zinc/83/47/36/388834736.db2.gz TYLGLPYNFDKUBT-ZNMIVQPWSA-N 2 1 238.419 2.907 20 30 BFEDMP C=C(C)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000352016138 533485263 /nfs/dbraw/zinc/48/52/63/533485263.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000352016138 533485267 /nfs/dbraw/zinc/48/52/67/533485267.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000352016138 533485270 /nfs/dbraw/zinc/48/52/70/533485270.db2.gz VHEMAQATSSFVOG-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000352016618 533485708 /nfs/dbraw/zinc/48/57/08/533485708.db2.gz YOPCLZSZUGBOKB-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000352016618 533485711 /nfs/dbraw/zinc/48/57/11/533485711.db2.gz YOPCLZSZUGBOKB-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000352016618 533485716 /nfs/dbraw/zinc/48/57/16/533485716.db2.gz YOPCLZSZUGBOKB-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C#CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000374429713 134236831 /nfs/dbraw/zinc/23/68/31/134236831.db2.gz PWUSGXIHNPSUHB-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000374429713 134236832 /nfs/dbraw/zinc/23/68/32/134236832.db2.gz PWUSGXIHNPSUHB-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000374429713 134236833 /nfs/dbraw/zinc/23/68/33/134236833.db2.gz PWUSGXIHNPSUHB-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCCCCC[N@H+](C)CC1CC[NH2+]CC1 ZINC000178974030 134313230 /nfs/dbraw/zinc/31/32/30/134313230.db2.gz JQMQXDQQQDUOFT-UHFFFAOYSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CC[NH+](C)Cc1cccc(C[N@@H+](C)CC=C)c1 ZINC000121393333 135224369 /nfs/dbraw/zinc/22/43/69/135224369.db2.gz GGKPREDZYGLZDD-UHFFFAOYSA-N 2 1 244.382 2.922 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875125 398078164 /nfs/dbraw/zinc/07/81/64/398078164.db2.gz IPNWBYXHKYTKHM-AWEZNQCLSA-N 2 1 247.386 2.506 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000273437035 166293499 /nfs/dbraw/zinc/29/34/99/166293499.db2.gz XCLALFREKKOPPI-GFCCVEGCSA-N 2 1 221.348 2.526 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+]CCCn1cc[nH+]c1C ZINC000268839186 166295033 /nfs/dbraw/zinc/29/50/33/166295033.db2.gz HPHVKJUIGDMRFO-CQSZACIVSA-N 2 1 235.375 2.916 20 30 BFEDMP C=CCC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000271883934 166301965 /nfs/dbraw/zinc/30/19/65/166301965.db2.gz QFFPEPHWMCOOKT-HNNXBMFYSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000661385845 410602066 /nfs/dbraw/zinc/60/20/66/410602066.db2.gz QHOUUFSHPPVFDH-CQSZACIVSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000661385845 410602069 /nfs/dbraw/zinc/60/20/69/410602069.db2.gz QHOUUFSHPPVFDH-CQSZACIVSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000651678543 411135116 /nfs/dbraw/zinc/13/51/16/411135116.db2.gz TVKFUBAXDPETRO-UGUYLWEFSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000651678543 411135117 /nfs/dbraw/zinc/13/51/17/411135117.db2.gz TVKFUBAXDPETRO-UGUYLWEFSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000651682855 411135431 /nfs/dbraw/zinc/13/54/31/411135431.db2.gz KICMQXXQJCZNGA-BPLDGKMQSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C)C2)C1 ZINC000651709184 411137708 /nfs/dbraw/zinc/13/77/08/411137708.db2.gz NGOHYVWIQFCZFL-KFWWJZLASA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865719 411147752 /nfs/dbraw/zinc/14/77/52/411147752.db2.gz FSBJVTGXLPAMGP-AWEZNQCLSA-N 2 1 226.408 2.909 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000656787210 411366486 /nfs/dbraw/zinc/36/64/86/411366486.db2.gz GZGRAJRBLHKPRI-ZNMIVQPWSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295556 412083574 /nfs/dbraw/zinc/08/35/74/412083574.db2.gz GSJZAWNYGGNKOS-HNNXBMFYSA-N 2 1 236.403 2.664 20 30 BFEDMP C=C(Cl)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000852749911 588699793 /nfs/dbraw/zinc/69/97/93/588699793.db2.gz RHMCXLYEOPOSDD-UHFFFAOYSA-N 2 1 230.783 2.580 20 30 BFEDMP C=C(Cl)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000852749911 588699794 /nfs/dbraw/zinc/69/97/94/588699794.db2.gz RHMCXLYEOPOSDD-UHFFFAOYSA-N 2 1 230.783 2.580 20 30 BFEDMP C=CCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000570132598 323050701 /nfs/dbraw/zinc/05/07/01/323050701.db2.gz LZEYFVHFGNNPNA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000570132598 323050702 /nfs/dbraw/zinc/05/07/02/323050702.db2.gz LZEYFVHFGNNPNA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000570132598 323050703 /nfs/dbraw/zinc/05/07/03/323050703.db2.gz LZEYFVHFGNNPNA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CC23CC3)CC1 ZINC000527858448 323711309 /nfs/dbraw/zinc/71/13/09/323711309.db2.gz KIHVHDJLPKKKDS-HIFRSBDPSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000566778547 326082211 /nfs/dbraw/zinc/08/22/11/326082211.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000566778547 326082213 /nfs/dbraw/zinc/08/22/13/326082213.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000566778547 326082214 /nfs/dbraw/zinc/08/22/14/326082214.db2.gz TYWWLKTZCQXJGA-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H](C)C[NH+](CC)CC ZINC000126821944 490520170 /nfs/dbraw/zinc/52/01/70/490520170.db2.gz UMTXGEFSRBXOFI-STQMWFEESA-N 2 1 212.381 2.661 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341448799 534360309 /nfs/dbraw/zinc/36/03/09/534360309.db2.gz DHBNFECZOGVAMM-BYNSBNAKSA-N 2 1 236.403 2.804 20 30 BFEDMP C=C(C)C[NH+](C)CC(C)C[N@@H+](C)CC(=C)C ZINC000481287582 526503098 /nfs/dbraw/zinc/50/30/98/526503098.db2.gz QIYAKCJXMDOVHY-UHFFFAOYSA-N 2 1 224.392 2.638 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@@H](C[NH2+]C)C1 ZINC000112706151 588813195 /nfs/dbraw/zinc/81/31/95/588813195.db2.gz CXUKYJPNTVCBSP-AWEZNQCLSA-N 2 1 226.408 2.888 20 30 BFEDMP C[N@H+](CCCC/[NH+]=C/c1ccccc1O)C1CC1 ZINC000840710688 583871676 /nfs/dbraw/zinc/87/16/76/583871676.db2.gz RPKYGGFXDLTAMG-FOWTUZBSSA-N 2 1 246.354 2.686 20 30 BFEDMP C[N@@H+](CCCC/[NH+]=C/c1ccccc1O)C1CC1 ZINC000840710688 583871677 /nfs/dbraw/zinc/87/16/77/583871677.db2.gz RPKYGGFXDLTAMG-FOWTUZBSSA-N 2 1 246.354 2.686 20 30 BFEDMP C[C@@](C[NH3+])([NH2+]CCCCC1(C#N)CCC1)C1CC1 ZINC000903716857 584791766 /nfs/dbraw/zinc/79/17/66/584791766.db2.gz CVDNFAXYNLCDIS-AWEZNQCLSA-N 2 1 249.402 2.568 20 30 BFEDMP C[C@@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000903716547 584791794 /nfs/dbraw/zinc/79/17/94/584791794.db2.gz OSSLPZTYKPOBQZ-ZIAGYGMSSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744283 584796914 /nfs/dbraw/zinc/79/69/14/584796914.db2.gz QTYRMZZSZIZMCF-UONOGXRCSA-N 2 1 249.402 2.520 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817960249 586851886 /nfs/dbraw/zinc/85/18/86/586851886.db2.gz LATMVWDTBKJFNW-JSGCOSHPSA-N 2 1 224.392 2.838 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000820846484 587076907 /nfs/dbraw/zinc/07/69/07/587076907.db2.gz GKSUKRVCRWXKMX-HOTGVXAUSA-N 2 1 248.414 2.524 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@H]1C(C)=CCC[C@@H]1C ZINC000820846484 587076909 /nfs/dbraw/zinc/07/69/09/587076909.db2.gz GKSUKRVCRWXKMX-HOTGVXAUSA-N 2 1 248.414 2.524 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842480672 588030040 /nfs/dbraw/zinc/03/00/40/588030040.db2.gz YWWSHXHCVVIMGI-CQSZACIVSA-N 2 1 224.392 2.785 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC000842480672 588030042 /nfs/dbraw/zinc/03/00/42/588030042.db2.gz YWWSHXHCVVIMGI-CQSZACIVSA-N 2 1 224.392 2.785 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@H]1C[NH2+]C ZINC000109198131 588531267 /nfs/dbraw/zinc/53/12/67/588531267.db2.gz CFGNKHKGWATEIH-ZDUSSCGKSA-N 2 1 212.381 2.641 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H]1C[NH2+]C ZINC000109198131 588531268 /nfs/dbraw/zinc/53/12/68/588531268.db2.gz CFGNKHKGWATEIH-ZDUSSCGKSA-N 2 1 212.381 2.641 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000873280668 590017655 /nfs/dbraw/zinc/01/76/55/590017655.db2.gz USYZINIJUYBLHH-OLZOCXBDSA-N 2 1 224.392 2.566 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000873280670 590017793 /nfs/dbraw/zinc/01/77/93/590017793.db2.gz USYZINIJUYBLHH-QWHCGFSZSA-N 2 1 224.392 2.566 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876936229 590258830 /nfs/dbraw/zinc/25/88/30/590258830.db2.gz TUNKGLZLAZVBHO-HOTGVXAUSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877070151 590277373 /nfs/dbraw/zinc/27/73/73/590277373.db2.gz LMSVBFCKOYDVMW-GJZGRUSLSA-N 2 1 236.403 2.642 20 30 BFEDMP C#CCCCCCC[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000877539016 590350010 /nfs/dbraw/zinc/35/00/10/590350010.db2.gz IYLLVFNZBBYRSO-OAHLLOKOSA-N 2 1 238.419 2.888 20 30 BFEDMP C#CCCCCCC[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000877539016 590350013 /nfs/dbraw/zinc/35/00/13/590350013.db2.gz IYLLVFNZBBYRSO-OAHLLOKOSA-N 2 1 238.419 2.888 20 30 BFEDMP C#CCCCCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000878164015 590511958 /nfs/dbraw/zinc/51/19/58/590511958.db2.gz ZBRAOGIAQAWJJH-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000878164015 590511961 /nfs/dbraw/zinc/51/19/61/590511961.db2.gz ZBRAOGIAQAWJJH-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000878164015 590511964 /nfs/dbraw/zinc/51/19/64/590511964.db2.gz ZBRAOGIAQAWJJH-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000878164015 590511965 /nfs/dbraw/zinc/51/19/65/590511965.db2.gz ZBRAOGIAQAWJJH-CABCVRRESA-N 2 1 236.403 2.595 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259051 590978828 /nfs/dbraw/zinc/97/88/28/590978828.db2.gz LHWLOONZIZRNOS-ZIAGYGMSSA-N 2 1 245.370 2.557 20 30 BFEDMP C=C(CC)C[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134941 592449646 /nfs/dbraw/zinc/44/96/46/592449646.db2.gz SUDPUTHOPANYEZ-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136024 592450580 /nfs/dbraw/zinc/45/05/80/592450580.db2.gz GQYGIZQOTGMQJT-UONOGXRCSA-N 2 1 245.370 2.557 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887136023 592451795 /nfs/dbraw/zinc/45/17/95/592451795.db2.gz GQYGIZQOTGMQJT-KGLIPLIRSA-N 2 1 245.370 2.557 20 30 BFEDMP C=C1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000925834427 635482421 /nfs/dbraw/zinc/48/24/21/635482421.db2.gz HIIHRKDNWGTCKS-LBPRGKRZSA-N 2 1 245.370 2.891 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925683625 634287457 /nfs/dbraw/zinc/28/74/57/634287457.db2.gz TZIUEEVQAQZLGB-TZMCWYRMSA-N 2 1 232.371 2.877 20 30 BFEDMP C=C(CC)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903188132 637355676 /nfs/dbraw/zinc/35/56/76/637355676.db2.gz ZAWGADMCEQOKDQ-LQDVMPOASA-N 2 1 234.387 2.700 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000934469791 641163786 /nfs/dbraw/zinc/16/37/86/641163786.db2.gz GQSROVFAJRABKW-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1CC[C@H]1CCCC[NH+]1C ZINC000934469791 641163789 /nfs/dbraw/zinc/16/37/89/641163789.db2.gz GQSROVFAJRABKW-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1CC[C@H]1CCCC[NH+]1C ZINC000934469791 641163792 /nfs/dbraw/zinc/16/37/92/641163792.db2.gz GQSROVFAJRABKW-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000252699988 644885422 /nfs/dbraw/zinc/88/54/22/644885422.db2.gz XJAACNCGRNBKDO-CHWSQXEVSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703702279 712084244 /nfs/dbraw/zinc/08/42/44/712084244.db2.gz WEOMSQWDGRWKLF-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901537 712875710 /nfs/dbraw/zinc/87/57/10/712875710.db2.gz CFSYHDUMNOPROR-KGLIPLIRSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000720901537 712875711 /nfs/dbraw/zinc/87/57/11/712875711.db2.gz CFSYHDUMNOPROR-KGLIPLIRSA-N 2 1 224.392 2.783 20 30 BFEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000724565981 710741849 /nfs/dbraw/zinc/74/18/49/710741849.db2.gz JIWLMLQUQUAGRU-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H]1CCC[N@H+](C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000703702281 712084315 /nfs/dbraw/zinc/08/43/15/712084315.db2.gz WEOMSQWDGRWKLF-GJZGRUSLSA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCCC[N@H+](CC[NH3+])[C@@H](C)COC ZINC001255560849 970341823 /nfs/dbraw/zinc/34/18/23/970341823.db2.gz JZWMZDINVVRRII-AWEZNQCLSA-N 2 1 244.423 2.643 20 30 BFEDMP CCCCCCCC[N@@H+](CC[NH3+])[C@@H](C)COC ZINC001255560849 970341837 /nfs/dbraw/zinc/34/18/37/970341837.db2.gz JZWMZDINVVRRII-AWEZNQCLSA-N 2 1 244.423 2.643 20 30 BFEDMP CC[NH+](CC)CC[C@@H](C)[NH2+]CC#CC(C)(C)C ZINC001255953312 970590580 /nfs/dbraw/zinc/59/05/80/970590580.db2.gz ZLYCEVWPOGCNNS-CQSZACIVSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235164639 978985673 /nfs/dbraw/zinc/98/56/73/978985673.db2.gz CBHNYTNOPLMCTM-LSDHHAIUSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235164639 978985678 /nfs/dbraw/zinc/98/56/78/978985678.db2.gz CBHNYTNOPLMCTM-LSDHHAIUSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CC[NH+](C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001256631462 970894748 /nfs/dbraw/zinc/89/47/48/970894748.db2.gz WHLLWOBXYGAFEH-PBWFPOADSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001256631462 970894756 /nfs/dbraw/zinc/89/47/56/970894756.db2.gz WHLLWOBXYGAFEH-PBWFPOADSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@H+](C1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001256631462 970894762 /nfs/dbraw/zinc/89/47/62/970894762.db2.gz WHLLWOBXYGAFEH-PBWFPOADSA-N 2 1 236.403 2.898 20 30 BFEDMP C=C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246493226 972351631 /nfs/dbraw/zinc/35/16/31/972351631.db2.gz YXIAOVFWZVQWHN-BPLDGKMQSA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347110 972440234 /nfs/dbraw/zinc/44/02/34/972440234.db2.gz WJLRTHSLRODOSA-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]2)C1 ZINC001222347110 972440235 /nfs/dbraw/zinc/44/02/35/972440235.db2.gz WJLRTHSLRODOSA-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC001222379669 972449826 /nfs/dbraw/zinc/44/98/26/972449826.db2.gz HOOOWZBGLGXOLT-UHFFFAOYSA-N 2 1 236.403 2.808 20 30 BFEDMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695843258 960504094 /nfs/dbraw/zinc/50/40/94/960504094.db2.gz PAUWNJDMCFSWAJ-CHWSQXEVSA-N 2 1 239.407 2.635 20 30 BFEDMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695843258 960504101 /nfs/dbraw/zinc/50/41/01/960504101.db2.gz PAUWNJDMCFSWAJ-CHWSQXEVSA-N 2 1 239.407 2.635 20 30 BFEDMP C=C(C)C[N@H+](CC)C1CCC([NH+](C)C)CC1 ZINC001168327550 964456072 /nfs/dbraw/zinc/45/60/72/964456072.db2.gz OLNKVRFLTKXLLI-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP CCCCCCC[N@@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058828 967311000 /nfs/dbraw/zinc/31/10/00/967311000.db2.gz VJZNRYANUKMKMQ-STQMWFEESA-N 2 1 212.381 2.768 20 30 BFEDMP CCCCCCC[N@H+]1[C@@H](C)CC[C@H]1C[NH3+] ZINC001205058828 967311005 /nfs/dbraw/zinc/31/10/05/967311005.db2.gz VJZNRYANUKMKMQ-STQMWFEESA-N 2 1 212.381 2.768 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171780 967413803 /nfs/dbraw/zinc/41/38/03/967413803.db2.gz YVRKUWRZQQKWEU-BPLDGKMQSA-N 2 1 234.387 2.711 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC001205171780 967413813 /nfs/dbraw/zinc/41/38/13/967413813.db2.gz YVRKUWRZQQKWEU-BPLDGKMQSA-N 2 1 234.387 2.711 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205257939 967450078 /nfs/dbraw/zinc/45/00/78/967450078.db2.gz YUUPVMSDYXQTOS-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206036817 967988661 /nfs/dbraw/zinc/98/86/61/967988661.db2.gz QTBRLPDEQXJVRK-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@H]([NH3+])C1 ZINC001206036817 967988672 /nfs/dbraw/zinc/98/86/72/967988672.db2.gz QTBRLPDEQXJVRK-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153173 968094481 /nfs/dbraw/zinc/09/44/81/968094481.db2.gz CDBHTASNIVHTEZ-KBPBESRZSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@H]([NH3+])[C@@H](F)CC1 ZINC001206153173 968094495 /nfs/dbraw/zinc/09/44/95/968094495.db2.gz CDBHTASNIVHTEZ-KBPBESRZSA-N 2 1 242.382 2.884 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000829178371 968823552 /nfs/dbraw/zinc/82/35/52/968823552.db2.gz DREMFRQBHVMRET-MCIONIFRSA-N 2 1 249.402 2.531 20 30 BFEDMP C[C@H](CC(C)(C)C#N)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000829178371 968823558 /nfs/dbraw/zinc/82/35/58/968823558.db2.gz DREMFRQBHVMRET-MCIONIFRSA-N 2 1 249.402 2.531 20 30 BFEDMP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCCCC1 ZINC001169118061 969413445 /nfs/dbraw/zinc/41/34/45/969413445.db2.gz CQFXQHWRFNJCMB-QDMKHBRRSA-N 2 1 246.398 2.537 20 30 BFEDMP C#CC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC001169118061 969413448 /nfs/dbraw/zinc/41/34/48/969413448.db2.gz CQFXQHWRFNJCMB-QDMKHBRRSA-N 2 1 246.398 2.537 20 30 BFEDMP C=CCCCC[N@H+](C)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169153335 969463227 /nfs/dbraw/zinc/46/32/27/969463227.db2.gz JDBWBCIXGTZLAQ-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169153335 969463234 /nfs/dbraw/zinc/46/32/34/969463234.db2.gz JDBWBCIXGTZLAQ-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169153335 969463240 /nfs/dbraw/zinc/46/32/40/969463240.db2.gz JDBWBCIXGTZLAQ-FICVDOATSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CC[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001169155028 969474435 /nfs/dbraw/zinc/47/44/35/969474435.db2.gz WHLLWOBXYGAFEH-BTTYYORXSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[NH+]([C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001169155028 969474441 /nfs/dbraw/zinc/47/44/41/969474441.db2.gz WHLLWOBXYGAFEH-BTTYYORXSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169155028 969474445 /nfs/dbraw/zinc/47/44/45/969474445.db2.gz WHLLWOBXYGAFEH-BTTYYORXSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@H+]([C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169155028 969474447 /nfs/dbraw/zinc/47/44/47/969474447.db2.gz WHLLWOBXYGAFEH-BTTYYORXSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@H+](C)C1CC(C)(C)[NH+](C)C(C)(C)C1 ZINC001171639304 974134862 /nfs/dbraw/zinc/13/48/62/974134862.db2.gz DWCPSRDBRCEVAX-UHFFFAOYSA-N 2 1 224.392 2.756 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC001172489216 974835422 /nfs/dbraw/zinc/83/54/22/974835422.db2.gz PAMPHIMGEIFIDX-ZIAGYGMSSA-N 2 1 249.402 2.675 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC001172489216 974835426 /nfs/dbraw/zinc/83/54/26/974835426.db2.gz PAMPHIMGEIFIDX-ZIAGYGMSSA-N 2 1 249.402 2.675 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@](C)(C[NH3+])CC1 ZINC001206293155 978293862 /nfs/dbraw/zinc/29/38/62/978293862.db2.gz GNQWTHUSFGWKRB-AWEZNQCLSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235024869 978954557 /nfs/dbraw/zinc/95/45/57/978954557.db2.gz QVKQJRFTCWGSDS-UHFFFAOYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC001235192664 978993499 /nfs/dbraw/zinc/99/34/99/978993499.db2.gz FSWDIKWQRJMIJF-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2C[NH2+]CC[C@H]21 ZINC001235256000 979009615 /nfs/dbraw/zinc/00/96/15/979009615.db2.gz DXYWEOBGQYRYKW-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235258037 979010103 /nfs/dbraw/zinc/01/01/03/979010103.db2.gz KNAFUKQULPNLDY-OAGGEKHMSA-N 2 1 246.398 2.583 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]3C[NH2+]CC[C@@H]32)CC1 ZINC001235258037 979010109 /nfs/dbraw/zinc/01/01/09/979010109.db2.gz KNAFUKQULPNLDY-OAGGEKHMSA-N 2 1 246.398 2.583 20 30 BFEDMP C=CCC[N@H+](CCC[NH2+]C)Cc1ccccc1 ZINC001235702063 979131928 /nfs/dbraw/zinc/13/19/28/979131928.db2.gz IHQRHOUDQLCAPU-UHFFFAOYSA-N 2 1 232.371 2.674 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235980567 979247109 /nfs/dbraw/zinc/24/71/09/979247109.db2.gz QJOARDXCWLJCCM-ZIAGYGMSSA-N 2 1 224.392 2.770 20 30 BFEDMP CCCCCCC[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001236315224 979529688 /nfs/dbraw/zinc/52/96/88/979529688.db2.gz WOTUACIMMGBMAV-GASCZTMLSA-N 2 1 238.419 2.888 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191099560 980969464 /nfs/dbraw/zinc/96/94/64/980969464.db2.gz NZFCVSZZJGHTCD-HZPDHXFCSA-N 2 1 248.414 2.739 20 30 BFEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC001191099560 980969471 /nfs/dbraw/zinc/96/94/71/980969471.db2.gz NZFCVSZZJGHTCD-HZPDHXFCSA-N 2 1 248.414 2.739 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191099558 980969547 /nfs/dbraw/zinc/96/95/47/980969547.db2.gz NZFCVSZZJGHTCD-CVEARBPZSA-N 2 1 248.414 2.739 20 30 BFEDMP CCC#C[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC001191099558 980969552 /nfs/dbraw/zinc/96/95/52/980969552.db2.gz NZFCVSZZJGHTCD-CVEARBPZSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000300224068 984283734 /nfs/dbraw/zinc/28/37/34/984283734.db2.gz KSPPSWSAWPBYMM-UONOGXRCSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@H](C[NH3+])[C@H](C)C1 ZINC001205985082 984299577 /nfs/dbraw/zinc/29/95/77/984299577.db2.gz VQMAQSPKKOMDKZ-ZIAGYGMSSA-N 2 1 224.392 2.650 20 30 BFEDMP C=CCCCC[NH+]1C[C@@H]2CC[N@@H+](C)CC[C@@H]2C1 ZINC001274975012 984431409 /nfs/dbraw/zinc/43/14/09/984431409.db2.gz UGDUTFDOZMDFBX-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274975012 984431414 /nfs/dbraw/zinc/43/14/14/984431414.db2.gz UGDUTFDOZMDFBX-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@H+]1C[C@@H]2CC[NH+](C)CC[C@@H]2C1 ZINC001274975012 984431423 /nfs/dbraw/zinc/43/14/23/984431423.db2.gz UGDUTFDOZMDFBX-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCC(C)(C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000383925036 985591231 /nfs/dbraw/zinc/59/12/31/985591231.db2.gz ARJVTOBHIFALHU-AGUYFDCRSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC001258732734 986074906 /nfs/dbraw/zinc/07/49/06/986074906.db2.gz PLAKBKUTQCGTRM-CQSZACIVSA-N 2 1 236.403 2.759 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+]C3(C[NH3+])CCC3)C[C@H](C1)C2 ZINC001246354553 987764623 /nfs/dbraw/zinc/76/46/23/987764623.db2.gz GOZQGUXQJMZJFQ-PBWFPOADSA-N 2 1 234.387 2.592 20 30 BFEDMP C=C[C@@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC001246493223 987847997 /nfs/dbraw/zinc/84/79/97/987847997.db2.gz YXIAOVFWZVQWHN-AEGPPILISA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCC[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)CC1 ZINC001246561955 987993649 /nfs/dbraw/zinc/99/36/49/987993649.db2.gz VBEACYQMIYAWAJ-IHRRRGAJSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001246561957 987995560 /nfs/dbraw/zinc/99/55/60/987995560.db2.gz VBEACYQMIYAWAJ-MELADBBJSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611458 988236718 /nfs/dbraw/zinc/23/67/18/988236718.db2.gz TZTLVACDAJPUHC-KBPBESRZSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C[C@H]1CCCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC001574881517 992935615 /nfs/dbraw/zinc/93/56/15/992935615.db2.gz IKIOSNMYIDDGMU-HNNXBMFYSA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H]([NH3+])CC1 ZINC000382318713 993446963 /nfs/dbraw/zinc/44/69/63/993446963.db2.gz SLKUEQIZFALTLZ-CYBMUJFWSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCCCC[NH+]1CC(C[NH2+]C)C1 ZINC000382411333 993459472 /nfs/dbraw/zinc/45/94/72/993459472.db2.gz YXPGDTKVOPRDIQ-UHFFFAOYSA-N 2 1 226.408 2.888 20 30 BFEDMP C=CCCC[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344290815 365676997 /nfs/dbraw/zinc/67/69/97/365676997.db2.gz CVQGVIJZTAGCAX-KKUMJFAQSA-N 2 1 236.403 2.948 20 30 BFEDMP C[N@H+](CC[NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602540841 349605450 /nfs/dbraw/zinc/60/54/50/349605450.db2.gz VXISCLOJUUYDOP-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@@H+](CC[NH2+]C1CCC(C#N)CC1)C1CCCC1 ZINC000602540841 349605453 /nfs/dbraw/zinc/60/54/53/349605453.db2.gz VXISCLOJUUYDOP-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351598735 136247497 /nfs/dbraw/zinc/24/74/97/136247497.db2.gz VEGMSIKTQGVQMP-HNNXBMFYSA-N 2 1 236.403 2.759 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000351730377 136250336 /nfs/dbraw/zinc/25/03/36/136250336.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730377 136250337 /nfs/dbraw/zinc/25/03/37/136250337.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000351730377 136250338 /nfs/dbraw/zinc/25/03/38/136250338.db2.gz NOSFRQACSVCQJP-GOEBONIOSA-N 2 1 248.414 2.901 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000309051179 346957225 /nfs/dbraw/zinc/95/72/25/346957225.db2.gz REYZKIILWJLVGD-QWHCGFSZSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000625705366 344050357 /nfs/dbraw/zinc/05/03/57/344050357.db2.gz USXNLZCXPRGDHU-OAHLLOKOSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000625705366 344050359 /nfs/dbraw/zinc/05/03/59/344050359.db2.gz USXNLZCXPRGDHU-OAHLLOKOSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000127536465 344192882 /nfs/dbraw/zinc/19/28/82/344192882.db2.gz AUIVBIHRDPJOMO-BFHYXJOUSA-N 2 1 226.408 2.907 20 30 BFEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000358503687 344565873 /nfs/dbraw/zinc/56/58/73/344565873.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358503687 344565874 /nfs/dbraw/zinc/56/58/74/344565874.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358503687 344565875 /nfs/dbraw/zinc/56/58/75/344565875.db2.gz DNYHWICIOUMSPE-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358617048 344669565 /nfs/dbraw/zinc/66/95/65/344669565.db2.gz RKJRHYGIEAMBJQ-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000358617048 344669567 /nfs/dbraw/zinc/66/95/67/344669567.db2.gz RKJRHYGIEAMBJQ-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000358617048 344669569 /nfs/dbraw/zinc/66/95/69/344669569.db2.gz RKJRHYGIEAMBJQ-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000358617048 344669570 /nfs/dbraw/zinc/66/95/70/344669570.db2.gz RKJRHYGIEAMBJQ-HOCLYGCPSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]CC2(C)CCC2)CC1 ZINC000434780256 537901537 /nfs/dbraw/zinc/90/15/37/537901537.db2.gz XRSWUUPYBBVUMG-UHFFFAOYSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000638524809 352358621 /nfs/dbraw/zinc/35/86/21/352358621.db2.gz SJPGHUAIHVDQME-KFWWJZLASA-N 2 1 248.414 2.663 20 30 BFEDMP C=CCCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000344591481 354321249 /nfs/dbraw/zinc/32/12/49/354321249.db2.gz YVBLRCWFHASFIL-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[N@@H+](CC1CCCCC1)CC(C)(C)[NH3+] ZINC000346975594 355210799 /nfs/dbraw/zinc/21/07/99/355210799.db2.gz JITJLWSUANYQAK-UHFFFAOYSA-N 2 1 224.392 2.792 20 30 BFEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000351891953 356158133 /nfs/dbraw/zinc/15/81/33/356158133.db2.gz RURZWSNYTQFUNH-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000049554336 356480025 /nfs/dbraw/zinc/48/00/25/356480025.db2.gz PMJCZOGRLNBUNI-OLZOCXBDSA-N 2 1 245.370 2.549 20 30 BFEDMP N#C[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000423259476 192656460 /nfs/dbraw/zinc/65/64/60/192656460.db2.gz DVTRJRRRQVCUSY-BPLDGKMQSA-N 2 1 249.402 2.566 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373970083 134235177 /nfs/dbraw/zinc/23/51/77/134235177.db2.gz LAUVDDUMGMQXQY-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000373970083 134235178 /nfs/dbraw/zinc/23/51/78/134235178.db2.gz LAUVDDUMGMQXQY-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000629510012 361105949 /nfs/dbraw/zinc/10/59/49/361105949.db2.gz OEIQGXAVJBDIDN-NSHDSACASA-N 2 1 233.359 2.747 20 30 BFEDMP CC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@H]1CC ZINC000574658152 365116415 /nfs/dbraw/zinc/11/64/15/365116415.db2.gz XENJFBOYOUTZSX-HZPDHXFCSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120988 371321626 /nfs/dbraw/zinc/32/16/26/371321626.db2.gz LHCSIISYCBCXGD-SOUVJXGZSA-N 2 1 238.419 2.909 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)C2)CC1 ZINC000174363141 374187214 /nfs/dbraw/zinc/18/72/14/374187214.db2.gz NCWWMIGQSQCSQJ-HIFRSBDPSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000336654408 206018943 /nfs/dbraw/zinc/01/89/43/206018943.db2.gz HFEJWEURHGBSGE-ZIAGYGMSSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]C1CC[NH+](C)CC1 ZINC000132003494 383972709 /nfs/dbraw/zinc/97/27/09/383972709.db2.gz HLEUIXZPVIIWRY-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367597360 384492334 /nfs/dbraw/zinc/49/23/34/384492334.db2.gz MSOQWWQFEAARHC-KFWWJZLASA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCC[N@H+](C)CCC[NH+]1CCCCC1 ZINC000161171426 384881313 /nfs/dbraw/zinc/88/13/13/384881313.db2.gz ZDMXZAYOEYGWQV-UHFFFAOYSA-N 2 1 224.392 2.760 20 30 BFEDMP N#CCCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157495447 385199294 /nfs/dbraw/zinc/19/92/94/385199294.db2.gz MITZZPBHSBJFAC-HNNXBMFYSA-N 2 1 249.402 2.631 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000347107243 386252190 /nfs/dbraw/zinc/25/21/90/386252190.db2.gz VCNALPKRROAORR-CQSZACIVSA-N 2 1 232.327 2.501 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977042 386572401 /nfs/dbraw/zinc/57/24/01/386572401.db2.gz XKMFQAUNOBJXES-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830043 386705586 /nfs/dbraw/zinc/70/55/86/386705586.db2.gz AJVRBCVKMHLHES-TZMCWYRMSA-N 2 1 224.392 2.838 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423374565 387254500 /nfs/dbraw/zinc/25/45/00/387254500.db2.gz CIXJVIPBNIZSNN-MELADBBJSA-N 2 1 238.419 2.955 20 30 BFEDMP C=CCC[C@@H]([NH2+]CCC[NH2+]CC)c1ccco1 ZINC000643499034 387285056 /nfs/dbraw/zinc/28/50/56/387285056.db2.gz NPBGMLJTFXQAHS-CYBMUJFWSA-N 2 1 236.359 2.876 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000527927056 387793437 /nfs/dbraw/zinc/79/34/37/387793437.db2.gz QYVMUGHDMGGTQL-OLZOCXBDSA-N 2 1 224.392 2.519 20 30 BFEDMP C=C[C@H](C)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422993667 387802401 /nfs/dbraw/zinc/80/24/01/387802401.db2.gz TVKNAJJULJLJAD-QEJZJMRPSA-N 2 1 230.355 2.644 20 30 BFEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442832083 387848411 /nfs/dbraw/zinc/84/84/11/387848411.db2.gz CMINWBGVEPYHHK-RBSFLKMASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423263989 388042579 /nfs/dbraw/zinc/04/25/79/388042579.db2.gz PIEQFKVVWQRKQM-CHWSQXEVSA-N 2 1 212.381 2.694 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H](C)C[NH2+]C)c1ccco1 ZINC000423277339 388058745 /nfs/dbraw/zinc/05/87/45/388058745.db2.gz PXCNQXMAWBWTFI-OLZOCXBDSA-N 2 1 236.359 2.732 20 30 BFEDMP C=CCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000453378829 388064331 /nfs/dbraw/zinc/06/43/31/388064331.db2.gz ZSJLGAMPCLVALL-UYTSQGDYSA-N 2 1 248.414 2.946 20 30 BFEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423266390 388690226 /nfs/dbraw/zinc/69/02/26/388690226.db2.gz RVKGOLGVPLCHLH-WFASDCNBSA-N 2 1 245.370 2.582 20 30 BFEDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423262225 388690435 /nfs/dbraw/zinc/69/04/35/388690435.db2.gz MBCZXKHOAXKOCU-SWLSCSKDSA-N 2 1 245.370 2.582 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000565580172 388955546 /nfs/dbraw/zinc/95/55/46/388955546.db2.gz SUOIRMSURIHNPL-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000565580172 388955554 /nfs/dbraw/zinc/95/55/54/388955554.db2.gz SUOIRMSURIHNPL-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000565580172 388955549 /nfs/dbraw/zinc/95/55/49/388955549.db2.gz SUOIRMSURIHNPL-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000565580172 388955551 /nfs/dbraw/zinc/95/55/51/388955551.db2.gz SUOIRMSURIHNPL-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000368041622 533297909 /nfs/dbraw/zinc/29/79/09/533297909.db2.gz UQQAKHHYLIPYBV-DZKIICNBSA-N 2 1 248.414 2.641 20 30 BFEDMP C=CC[NH+](CC(C)C[N@@H+](CC=C)C1CC1)C1CC1 ZINC000357550636 134184052 /nfs/dbraw/zinc/18/40/52/134184052.db2.gz GZBMTVOWSQQFQE-UHFFFAOYSA-N 2 1 248.414 2.923 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000172576412 134267686 /nfs/dbraw/zinc/26/76/86/134267686.db2.gz UJWGRGUGLADUIP-OAHLLOKOSA-N 2 1 236.403 2.903 20 30 BFEDMP CC[C@@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185774951 134394576 /nfs/dbraw/zinc/39/45/76/134394576.db2.gz GSRBYFMBYQNLIV-KKUMJFAQSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[NH+](C)C/C=C\C[N@@H+](C)CCC=C ZINC000342722897 135314586 /nfs/dbraw/zinc/31/45/86/135314586.db2.gz BWUSMQYUDXJALU-KTKRTIGZSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271807998 166295339 /nfs/dbraw/zinc/29/53/39/166295339.db2.gz AFPPZIJHVWVIJD-CQSZACIVSA-N 2 1 222.376 2.583 20 30 BFEDMP C=CCC[C@@H](CC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275399683 166296083 /nfs/dbraw/zinc/29/60/83/166296083.db2.gz CJQYZRWBHVPLLD-ZIAGYGMSSA-N 2 1 247.386 2.780 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000273437036 166300449 /nfs/dbraw/zinc/30/04/49/166300449.db2.gz XCLALFREKKOPPI-LBPRGKRZSA-N 2 1 221.348 2.526 20 30 BFEDMP C=CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000269712287 166301199 /nfs/dbraw/zinc/30/11/99/166301199.db2.gz OFEFLZWRTLSGOI-HNNXBMFYSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000651670260 411134118 /nfs/dbraw/zinc/13/41/18/411134118.db2.gz BGIGCZDGHFPWPC-ZFWWWQNUSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000651670257 411134222 /nfs/dbraw/zinc/13/42/22/411134222.db2.gz BGIGCZDGHFPWPC-DZGCQCFKSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000651682345 411135538 /nfs/dbraw/zinc/13/55/38/411135538.db2.gz VYBVVWFMULPNNK-LSDHHAIUSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C)C2)C1 ZINC000651709183 411137440 /nfs/dbraw/zinc/13/74/40/411137440.db2.gz NGOHYVWIQFCZFL-ILXRZTDVSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657939226 411174265 /nfs/dbraw/zinc/17/42/65/411174265.db2.gz WAWFMMAROZGQSG-JKSUJKDBSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CC2CC2)CC1 ZINC000153006847 323023609 /nfs/dbraw/zinc/02/36/09/323023609.db2.gz HRDNHDGJPXHXCI-ZDUSSCGKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C)CC1 ZINC000152012164 323099639 /nfs/dbraw/zinc/09/96/39/323099639.db2.gz VPQDBLVTWKNPNV-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC23CC3)CC1 ZINC000527858445 323711023 /nfs/dbraw/zinc/71/10/23/323711023.db2.gz KIHVHDJLPKKKDS-DZGCQCFKSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000341448801 534359224 /nfs/dbraw/zinc/35/92/24/534359224.db2.gz DHBNFECZOGVAMM-XQLPTFJDSA-N 2 1 236.403 2.804 20 30 BFEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358615499 534374884 /nfs/dbraw/zinc/37/48/84/534374884.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000358615499 534374891 /nfs/dbraw/zinc/37/48/91/534374891.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000358615499 534374895 /nfs/dbraw/zinc/37/48/95/534374895.db2.gz NQSOAMPGLBUVNT-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000340422395 534553576 /nfs/dbraw/zinc/55/35/76/534553576.db2.gz AIVUSUAGHPSLPO-UONOGXRCSA-N 2 1 238.419 2.909 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000495094325 526605129 /nfs/dbraw/zinc/60/51/29/526605129.db2.gz SMQKRMNVEHIEBA-KCQAQPDRSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764813 584797098 /nfs/dbraw/zinc/79/70/98/584797098.db2.gz BNJGRCZFTBHKMJ-LSDHHAIUSA-N 2 1 236.403 2.664 20 30 BFEDMP C[N@@H+](CCCCC1(C#N)CCC1)CC(C)(C)[NH3+] ZINC000903768391 584798093 /nfs/dbraw/zinc/79/80/93/584798093.db2.gz MMRYAMAOSZJSGO-UHFFFAOYSA-N 2 1 237.391 2.520 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863881 584812785 /nfs/dbraw/zinc/81/27/85/584812785.db2.gz QFSLVGWQADUXNY-CQSZACIVSA-N 2 1 224.392 2.785 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@]12CC[NH2+]C2 ZINC000903863881 584812786 /nfs/dbraw/zinc/81/27/86/584812786.db2.gz QFSLVGWQADUXNY-CQSZACIVSA-N 2 1 224.392 2.785 20 30 BFEDMP C#CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465588 585284983 /nfs/dbraw/zinc/28/49/83/585284983.db2.gz PAWFBPOGZPIHCW-HUUCEWRRSA-N 2 1 248.414 2.642 20 30 BFEDMP C#CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000829779288 587515851 /nfs/dbraw/zinc/51/58/51/587515851.db2.gz QDLFPASQRXSDPA-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000829779288 587515852 /nfs/dbraw/zinc/51/58/52/587515852.db2.gz QDLFPASQRXSDPA-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@@H]1CCC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000829779288 587515853 /nfs/dbraw/zinc/51/58/53/587515853.db2.gz QDLFPASQRXSDPA-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP CCCCCCC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000842475307 588029688 /nfs/dbraw/zinc/02/96/88/588029688.db2.gz MYOWBMKBHWJAAV-LBPRGKRZSA-N 2 1 214.397 2.920 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000876936231 590259140 /nfs/dbraw/zinc/25/91/40/590259140.db2.gz TUNKGLZLAZVBHO-JKSUJKDBSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000878164018 590511909 /nfs/dbraw/zinc/51/19/09/590511909.db2.gz ZBRAOGIAQAWJJH-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000878164018 590511911 /nfs/dbraw/zinc/51/19/11/590511911.db2.gz ZBRAOGIAQAWJJH-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878164018 590511914 /nfs/dbraw/zinc/51/19/14/590511914.db2.gz ZBRAOGIAQAWJJH-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP C#CCCCCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000878164018 590511916 /nfs/dbraw/zinc/51/19/16/590511916.db2.gz ZBRAOGIAQAWJJH-LSDHHAIUSA-N 2 1 236.403 2.595 20 30 BFEDMP C=C(C)C[N@@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701794 590852903 /nfs/dbraw/zinc/85/29/03/590852903.db2.gz ATWBXQOHKKDMLV-UHFFFAOYSA-N 2 1 238.419 2.862 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429438 591660188 /nfs/dbraw/zinc/66/01/88/591660188.db2.gz VWMPRSDTIGLGLK-ZNMIVQPWSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000883439017 591667042 /nfs/dbraw/zinc/66/70/42/591667042.db2.gz HBXYCNNXOSCRQQ-TZMCWYRMSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439016 591667272 /nfs/dbraw/zinc/66/72/72/591667272.db2.gz HBXYCNNXOSCRQQ-OCCSQVGLSA-N 2 1 224.392 2.648 20 30 BFEDMP CCC1([NH+]2CCC2)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000886715766 592308556 /nfs/dbraw/zinc/30/85/56/592308556.db2.gz DDGXNGRHAILEHI-CQSZACIVSA-N 2 1 249.402 2.629 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H](C[NH2+]C)C1 ZINC000104460057 592613913 /nfs/dbraw/zinc/61/39/13/592613913.db2.gz PCBHUQJIPCXPRG-AWEZNQCLSA-N 2 1 226.408 2.888 20 30 BFEDMP C=C1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000925834425 635482135 /nfs/dbraw/zinc/48/21/35/635482135.db2.gz HIIHRKDNWGTCKS-GFCCVEGCSA-N 2 1 245.370 2.891 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC(C)(C)C ZINC000328137258 633735034 /nfs/dbraw/zinc/73/50/34/633735034.db2.gz YRHJRZGTKIVZTM-CQSZACIVSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC(C)(C)C ZINC000328137258 633735040 /nfs/dbraw/zinc/73/50/40/633735040.db2.gz YRHJRZGTKIVZTM-CQSZACIVSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925683622 634287165 /nfs/dbraw/zinc/28/71/65/634287165.db2.gz TZIUEEVQAQZLGB-GXTWGEPZSA-N 2 1 232.371 2.877 20 30 BFEDMP C=CC[C@@H]1CC[NH+]1CCC[N@@H+]1CC[C@@H]1CC=C ZINC000934461056 641153406 /nfs/dbraw/zinc/15/34/06/641153406.db2.gz PGRKVOQIEFWPIT-GASCZTMLSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1CCC[NH+]1CC[C@@H]1CC=C ZINC000934461056 641153411 /nfs/dbraw/zinc/15/34/11/641153411.db2.gz PGRKVOQIEFWPIT-GASCZTMLSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1CCC[NH+]1CC[C@@H]1CC=C ZINC000934461056 641153416 /nfs/dbraw/zinc/15/34/16/641153416.db2.gz PGRKVOQIEFWPIT-GASCZTMLSA-N 2 1 234.387 2.677 20 30 BFEDMP C=CCCC[N@@H+](CC)CCCc1c[nH+]cn1C ZINC000934648152 641232342 /nfs/dbraw/zinc/23/23/42/641232342.db2.gz VVTIXYXFCYPXQY-UHFFFAOYSA-N 2 1 235.375 2.641 20 30 BFEDMP C=CCCC[N@H+](CC)CCCc1c[nH+]cn1C ZINC000934648152 641232347 /nfs/dbraw/zinc/23/23/47/641232347.db2.gz VVTIXYXFCYPXQY-UHFFFAOYSA-N 2 1 235.375 2.641 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000252699989 644886389 /nfs/dbraw/zinc/88/63/89/644886389.db2.gz XJAACNCGRNBKDO-OLZOCXBDSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccco1 ZINC000925784263 646480703 /nfs/dbraw/zinc/48/07/03/646480703.db2.gz ILWRRSNZVVLLPT-HZSPNIEDSA-N 2 1 248.370 2.732 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1 ZINC000385711634 711017589 /nfs/dbraw/zinc/01/75/89/711017589.db2.gz HMKDJIISGUJJNQ-INIZCTEOSA-N 2 1 244.382 2.682 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](CC)c1ccccc1 ZINC000385711634 711017591 /nfs/dbraw/zinc/01/75/91/711017591.db2.gz HMKDJIISGUJJNQ-INIZCTEOSA-N 2 1 244.382 2.682 20 30 BFEDMP C=CC[C@@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000393773727 711173817 /nfs/dbraw/zinc/17/38/17/711173817.db2.gz KZONKNXXTQLBIV-RLAWYHOSSA-N 2 1 222.376 2.556 20 30 BFEDMP C=CCCC[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000398058191 711401321 /nfs/dbraw/zinc/40/13/21/711401321.db2.gz FYLKVWQHNLAJIQ-AVOUXACISA-N 2 1 236.403 2.946 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000703688534 712083509 /nfs/dbraw/zinc/08/35/09/712083509.db2.gz CQRAHBSAKFYGBA-WZYMTQMTSA-N 2 1 248.414 2.805 20 30 BFEDMP CCC[N@H+](CC)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695840614 960509860 /nfs/dbraw/zinc/50/98/60/960509860.db2.gz CYWNNGNRLUWSSF-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695840614 960509870 /nfs/dbraw/zinc/50/98/70/960509870.db2.gz CYWNNGNRLUWSSF-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC[NH+](CC=C)[C@@H](C)CC[NH+](CC)CC ZINC001255963506 970601746 /nfs/dbraw/zinc/60/17/46/970601746.db2.gz HTKUTRAMUDFHAH-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@@H]2C1 ZINC001237383470 979878444 /nfs/dbraw/zinc/87/84/44/979878444.db2.gz PGYCHGURTHPLAV-HUUCEWRRSA-N 2 1 236.403 2.807 20 30 BFEDMP C#CCCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907047 971018210 /nfs/dbraw/zinc/01/82/10/971018210.db2.gz XQPGACITWQUQHU-HNNXBMFYSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907047 971018216 /nfs/dbraw/zinc/01/82/16/971018216.db2.gz XQPGACITWQUQHU-HNNXBMFYSA-N 2 1 248.414 2.787 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000708891147 960082335 /nfs/dbraw/zinc/08/23/35/960082335.db2.gz SHUBRWJMZOMLBW-UONOGXRCSA-N 2 1 226.408 2.874 20 30 BFEDMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695841284 960502902 /nfs/dbraw/zinc/50/29/02/960502902.db2.gz GUODLCDRIOXEEA-CYBMUJFWSA-N 2 1 239.407 2.635 20 30 BFEDMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695844113 960511692 /nfs/dbraw/zinc/51/16/92/960511692.db2.gz UJLRGRZYZVGSRX-STQMWFEESA-N 2 1 239.407 2.633 20 30 BFEDMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695844113 960511697 /nfs/dbraw/zinc/51/16/97/960511697.db2.gz UJLRGRZYZVGSRX-STQMWFEESA-N 2 1 239.407 2.633 20 30 BFEDMP CCC[N@H+](CC)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695840612 960512807 /nfs/dbraw/zinc/51/28/07/960512807.db2.gz CYWNNGNRLUWSSF-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP CCC[N@@H+](CC)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000695840612 960512823 /nfs/dbraw/zinc/51/28/23/960512823.db2.gz CYWNNGNRLUWSSF-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP CC[NH+](CC)CCC[C@@H](C)[N@@H+](CC)CCC#N ZINC001167826217 961159276 /nfs/dbraw/zinc/15/92/76/961159276.db2.gz PIENNCNCZYYVDG-CQSZACIVSA-N 2 1 239.407 2.732 20 30 BFEDMP C=CC[N@H+]1CCC[C@H]1CNc1cc(C)cc(C)[nH+]1 ZINC001160952959 964454777 /nfs/dbraw/zinc/45/47/77/964454777.db2.gz KOGUNIYEGKBPEH-AWEZNQCLSA-N 2 1 245.370 2.761 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H]1CNc1cc(C)cc(C)[nH+]1 ZINC001160952959 964454781 /nfs/dbraw/zinc/45/47/81/964454781.db2.gz KOGUNIYEGKBPEH-AWEZNQCLSA-N 2 1 245.370 2.761 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001235726327 966099878 /nfs/dbraw/zinc/09/98/78/966099878.db2.gz WUOFESJDUDYDJV-CABCVRRESA-N 2 1 234.387 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[C@H]2C[NH3+])CC1 ZINC001235726327 966099889 /nfs/dbraw/zinc/09/98/89/966099889.db2.gz WUOFESJDUDYDJV-CABCVRRESA-N 2 1 234.387 2.712 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC001236817166 966556528 /nfs/dbraw/zinc/55/65/28/966556528.db2.gz ABAXFOIEXXSWIT-KKUMJFAQSA-N 2 1 236.403 2.792 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206034842 967989912 /nfs/dbraw/zinc/98/99/12/967989912.db2.gz AWOLTJDORLBSDJ-FVQBIDKESA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206034842 967989916 /nfs/dbraw/zinc/98/99/16/967989916.db2.gz AWOLTJDORLBSDJ-FVQBIDKESA-N 2 1 248.414 2.958 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153177 968092554 /nfs/dbraw/zinc/09/25/54/968092554.db2.gz CDBHTASNIVHTEZ-UONOGXRCSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206153177 968092565 /nfs/dbraw/zinc/09/25/65/968092565.db2.gz CDBHTASNIVHTEZ-UONOGXRCSA-N 2 1 242.382 2.884 20 30 BFEDMP CCCCCCCC[N@H+]1CC2CC1(C[NH3+])C2 ZINC000822173596 968510544 /nfs/dbraw/zinc/51/05/44/968510544.db2.gz YKPJKJCSNJQUDC-UHFFFAOYSA-N 2 1 224.392 2.770 20 30 BFEDMP C=C(C)C[N@H+](CC)CC1(C)CC[NH+](C)CC1 ZINC001208109558 969010307 /nfs/dbraw/zinc/01/03/07/969010307.db2.gz OXCANRKDGYEMPY-UHFFFAOYSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)C[N@H+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC001169144127 969466122 /nfs/dbraw/zinc/46/61/22/969466122.db2.gz JDJZJYDAWLPUHS-WDNDVIMCSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001169144127 969466133 /nfs/dbraw/zinc/46/61/33/969466133.db2.gz JDJZJYDAWLPUHS-WDNDVIMCSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)C[NH+](CC)[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001169144127 969466142 /nfs/dbraw/zinc/46/61/42/969466142.db2.gz JDJZJYDAWLPUHS-WDNDVIMCSA-N 2 1 222.376 2.510 20 30 BFEDMP C=CCCCCC[N@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001209433435 969501491 /nfs/dbraw/zinc/50/14/91/969501491.db2.gz WMZYXXFPYLWMDT-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCC[C@H]([NH2+]CC[C@H](C)[NH2+]C)c1ccco1 ZINC001331836541 974832506 /nfs/dbraw/zinc/83/25/06/974832506.db2.gz XJNMNGHJQUTWQK-STQMWFEESA-N 2 1 236.359 2.875 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172487915 974833620 /nfs/dbraw/zinc/83/36/20/974833620.db2.gz JRXIBADZROILOC-ZQDZILKHSA-N 2 1 249.402 2.674 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172487915 974833624 /nfs/dbraw/zinc/83/36/24/974833624.db2.gz JRXIBADZROILOC-ZQDZILKHSA-N 2 1 249.402 2.674 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1C[C@@H](C)C[NH+]1CC[C@@H]1CC=C ZINC001333478228 975805756 /nfs/dbraw/zinc/80/57/56/975805756.db2.gz FYOSGBCZWWRDBJ-PHZGNYQRSA-N 2 1 248.414 2.923 20 30 BFEDMP C=CC[C@@H]1CC[N@@H+]1C[C@@H](C)C[NH+]1CC[C@@H]1CC=C ZINC001333478228 975805762 /nfs/dbraw/zinc/80/57/62/975805762.db2.gz FYOSGBCZWWRDBJ-PHZGNYQRSA-N 2 1 248.414 2.923 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235257513 979012245 /nfs/dbraw/zinc/01/22/45/979012245.db2.gz ZTDWVNGXCVIPJM-IHRRRGAJSA-N 2 1 224.392 2.768 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]([NH3+])CC[C@@H]1C ZINC001235893960 979186907 /nfs/dbraw/zinc/18/69/07/979186907.db2.gz YVGQUBMJEBIYNH-KBPBESRZSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC001235930997 979212903 /nfs/dbraw/zinc/21/29/03/979212903.db2.gz ZFNUETVQPJDQEO-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC001235931000 979213916 /nfs/dbraw/zinc/21/39/16/979213916.db2.gz ZFNUETVQPJDQEO-LSDHHAIUSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CC[C@@H]1CC[N@H+](CC2CC[NH+](CC)CC2)C1 ZINC001462460327 986383754 /nfs/dbraw/zinc/38/37/54/986383754.db2.gz KQFMGDDHGGYWAB-CQSZACIVSA-N 2 1 236.403 2.616 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@]3(C)CCC[NH2+]C3)C[C@H](C1)C2 ZINC001246190630 987580720 /nfs/dbraw/zinc/58/07/20/987580720.db2.gz QKOZEXRAJYNMTM-VFSICIBPSA-N 2 1 248.414 2.853 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@](C)([NH3+])CC1 ZINC001246551129 987942323 /nfs/dbraw/zinc/94/23/23/987942323.db2.gz KUMZLKZYBLJHIU-STQMWFEESA-N 2 1 210.365 2.544 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@@](C)([NH3+])CC1 ZINC001246551125 987946479 /nfs/dbraw/zinc/94/64/79/987946479.db2.gz KUMZLKZYBLJHIU-CHWSQXEVSA-N 2 1 210.365 2.544 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001246573070 988069529 /nfs/dbraw/zinc/06/95/29/988069529.db2.gz YSOQYTDRBZJMJF-RDBSUJKOSA-N 2 1 224.392 2.648 20 30 BFEDMP C[C@]1(C[NH3+])CCCC[N@H+](C2CCC(C#N)CC2)C1 ZINC001246586299 988145989 /nfs/dbraw/zinc/14/59/89/988145989.db2.gz SWUHGEVKUNILAP-YMAMQOFZSA-N 2 1 249.402 2.520 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610783 988238226 /nfs/dbraw/zinc/23/82/26/988238226.db2.gz NTGKAVZNMVQHST-GJZGRUSLSA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644080 988358875 /nfs/dbraw/zinc/35/88/75/988358875.db2.gz JBVVWYWGGMSPEX-IHRRRGAJSA-N 2 1 224.392 2.768 20 30 BFEDMP CCCCCCC[C@H](C)[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001246644080 988358882 /nfs/dbraw/zinc/35/88/82/988358882.db2.gz JBVVWYWGGMSPEX-IHRRRGAJSA-N 2 1 224.392 2.768 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+](C)C[C@@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246813313 988496781 /nfs/dbraw/zinc/49/67/81/988496781.db2.gz ICRDOMAVPNREOK-JZWPEALZSA-N 2 1 248.414 2.663 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC001560623176 991524658 /nfs/dbraw/zinc/52/46/58/991524658.db2.gz QXERVOGKGJECJG-LYYZXLFJSA-N 2 1 248.414 2.661 20 30 BFEDMP C#CC(CC)(CC)[NH2+]C1CC[NH+](CCC)CC1 ZINC001258763774 991722319 /nfs/dbraw/zinc/72/23/19/991722319.db2.gz CAQZPVUWVDEIMA-UHFFFAOYSA-N 2 1 236.403 2.642 20 30 BFEDMP CCCCCCC[N@H+]1CCC[NH2+]C[C@@H]1C ZINC000382784584 993468628 /nfs/dbraw/zinc/46/86/28/993468628.db2.gz WRGFXFWICAZCII-ZDUSSCGKSA-N 2 1 212.381 2.641 20 30 BFEDMP C[N@@H+](CCCC[NH2+]C1CCC(C#N)CC1)C1CC1 ZINC000602688956 349679548 /nfs/dbraw/zinc/67/95/48/349679548.db2.gz UIGQIBQSJUBSLM-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602685289 349676992 /nfs/dbraw/zinc/67/69/92/349676992.db2.gz FHSVIKIDTNDJMJ-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(C#N)CC1 ZINC000602685289 349676993 /nfs/dbraw/zinc/67/69/93/349676993.db2.gz FHSVIKIDTNDJMJ-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000351730380 136250755 /nfs/dbraw/zinc/25/07/55/136250755.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000351730380 136250756 /nfs/dbraw/zinc/25/07/56/136250756.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000351730380 136250757 /nfs/dbraw/zinc/25/07/57/136250757.db2.gz NOSFRQACSVCQJP-ZBFHGGJFSA-N 2 1 248.414 2.901 20 30 BFEDMP C[C@@H](CCC#N)[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000602952057 349828761 /nfs/dbraw/zinc/82/87/61/349828761.db2.gz SDOFAJLLKTYXJC-AWEZNQCLSA-N 2 1 249.402 2.629 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000309051178 346957208 /nfs/dbraw/zinc/95/72/08/346957208.db2.gz REYZKIILWJLVGD-OLZOCXBDSA-N 2 1 212.381 2.661 20 30 BFEDMP C=CCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000580156067 346572388 /nfs/dbraw/zinc/57/23/88/346572388.db2.gz JDBWBCIXGTZLAQ-YIONKMFJSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000580156067 346572391 /nfs/dbraw/zinc/57/23/91/346572391.db2.gz JDBWBCIXGTZLAQ-YIONKMFJSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CCCCC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000580156067 346572393 /nfs/dbraw/zinc/57/23/93/346572393.db2.gz JDBWBCIXGTZLAQ-YIONKMFJSA-N 2 1 236.403 2.900 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000309780053 347161818 /nfs/dbraw/zinc/16/18/18/347161818.db2.gz QVTHASRUWWUONO-CRWXNKLISA-N 2 1 224.392 2.659 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000309780053 347161821 /nfs/dbraw/zinc/16/18/21/347161821.db2.gz QVTHASRUWWUONO-CRWXNKLISA-N 2 1 224.392 2.659 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322683887 259398170 /nfs/dbraw/zinc/39/81/70/259398170.db2.gz HOUAJDZMIVDBTP-RLAWYHOSSA-N 2 1 222.376 2.556 20 30 BFEDMP C=CC[NH+](C)CCCCCC[N@H+](C)CC=C ZINC000275065898 166321092 /nfs/dbraw/zinc/32/10/92/166321092.db2.gz SOFYILYQGJVSLN-UHFFFAOYSA-N 2 1 224.392 2.782 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336648083 350565801 /nfs/dbraw/zinc/56/58/01/350565801.db2.gz CJTQXDMSKBABHU-BFHYXJOUSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336648083 350565804 /nfs/dbraw/zinc/56/58/04/350565804.db2.gz CJTQXDMSKBABHU-BFHYXJOUSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000185384898 353802383 /nfs/dbraw/zinc/80/23/83/353802383.db2.gz CTGCBBCTFHFCJN-CQSZACIVSA-N 2 1 236.403 2.971 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C1CC[NH+](CC(=C)C)CC1 ZINC000185384875 353802452 /nfs/dbraw/zinc/80/24/52/353802452.db2.gz CTGCBBCTFHFCJN-AWEZNQCLSA-N 2 1 236.403 2.971 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000185347003 353794342 /nfs/dbraw/zinc/79/43/42/353794342.db2.gz XMRKYPSMCPMFLQ-QWHCGFSZSA-N 2 1 235.375 2.772 20 30 BFEDMP C=C(C)CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000352046010 134046213 /nfs/dbraw/zinc/04/62/13/134046213.db2.gz JQKOMEUAMFCTGB-OAHLLOKOSA-N 2 1 236.403 2.903 20 30 BFEDMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(C#N)cc1 ZINC000049553075 356480483 /nfs/dbraw/zinc/48/04/83/356480483.db2.gz WVQUSUGVCCCARG-QWHCGFSZSA-N 2 1 245.370 2.549 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784860 202033916 /nfs/dbraw/zinc/03/39/16/202033916.db2.gz YVSSYKUGXBMRNX-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784860 202033917 /nfs/dbraw/zinc/03/39/17/202033917.db2.gz YVSSYKUGXBMRNX-CYBMUJFWSA-N 2 1 224.392 2.805 20 30 BFEDMP CC1(C)CCC[N@@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449783088 202034222 /nfs/dbraw/zinc/03/42/22/202034222.db2.gz NEISWMYAOKCTFC-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000449783088 202034225 /nfs/dbraw/zinc/03/42/25/202034225.db2.gz NEISWMYAOKCTFC-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000211865937 134242158 /nfs/dbraw/zinc/24/21/58/134242158.db2.gz KDKHXISUDOTOQR-GDBMZVCRSA-N 2 1 244.382 2.772 20 30 BFEDMP C=C(C)C[NH+]1CCC(C)([NH+]2CCCC2)CC1 ZINC000639982857 358026118 /nfs/dbraw/zinc/02/61/18/358026118.db2.gz JRPPOFKZBUHLNX-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC1([NH+](C)C)CCCC1 ZINC000126732845 358554098 /nfs/dbraw/zinc/55/40/98/358554098.db2.gz IBNURPSROUOCFS-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@H+](C)C1CCCC1 ZINC000126827762 358556470 /nfs/dbraw/zinc/55/64/70/358556470.db2.gz ULZYUJHXJFQHSC-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[N@@H+](C)C1CCCC1 ZINC000126827762 358556476 /nfs/dbraw/zinc/55/64/76/358556476.db2.gz ULZYUJHXJFQHSC-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629539476 361406607 /nfs/dbraw/zinc/40/66/07/361406607.db2.gz MIIHJNYXKOMIHL-HZSPNIEDSA-N 2 1 224.392 2.851 20 30 BFEDMP C[C@H]([NH2+]CCCC#N)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706036 367140411 /nfs/dbraw/zinc/14/04/11/367140411.db2.gz QNWNALLZGMATJI-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000581498517 367526029 /nfs/dbraw/zinc/52/60/29/367526029.db2.gz AWAHLWAARABVAH-UHFFFAOYSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000072974857 368788844 /nfs/dbraw/zinc/78/88/44/368788844.db2.gz RAHNWYPNEWZBAJ-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000072974857 368788849 /nfs/dbraw/zinc/78/88/49/368788849.db2.gz RAHNWYPNEWZBAJ-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974857 368788854 /nfs/dbraw/zinc/78/88/54/368788854.db2.gz RAHNWYPNEWZBAJ-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000072974857 368788856 /nfs/dbraw/zinc/78/88/56/368788856.db2.gz RAHNWYPNEWZBAJ-LSDHHAIUSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCC(C)(C)C[NH2+]C1CC[NH+](C)CC1 ZINC000631221328 372245136 /nfs/dbraw/zinc/24/51/36/372245136.db2.gz REMGZYVVCOQHBE-UHFFFAOYSA-N 2 1 224.392 2.663 20 30 BFEDMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353972476 169196755 /nfs/dbraw/zinc/19/67/55/169196755.db2.gz OASCPAYNGOSDFL-RRFJBIMHSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000353972476 169196756 /nfs/dbraw/zinc/19/67/56/169196756.db2.gz OASCPAYNGOSDFL-RRFJBIMHSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726718 384482429 /nfs/dbraw/zinc/48/24/29/384482429.db2.gz WEFIHSTZDKGVBT-ZIAGYGMSSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000175726698 384483987 /nfs/dbraw/zinc/48/39/87/384483987.db2.gz WEFIHSTZDKGVBT-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000340430519 385062722 /nfs/dbraw/zinc/06/27/22/385062722.db2.gz XPZIIEPMIZWHEM-CHWSQXEVSA-N 2 1 224.392 2.519 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000581707429 385706941 /nfs/dbraw/zinc/70/69/41/385706941.db2.gz AVLCWOMVOXLKHT-CQSZACIVSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2C)CC1 ZINC000414125413 385974766 /nfs/dbraw/zinc/97/47/66/385974766.db2.gz QEASLIGWVGXRCF-NFAWXSAZSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000453378832 386493548 /nfs/dbraw/zinc/49/35/48/386493548.db2.gz ZSJLGAMPCLVALL-WTXIUTQJSA-N 2 1 248.414 2.946 20 30 BFEDMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CC1 ZINC000453401598 386577172 /nfs/dbraw/zinc/57/71/72/386577172.db2.gz MXAZFFCHCBQLFM-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977043 386572516 /nfs/dbraw/zinc/57/25/16/386572516.db2.gz XKMFQAUNOBJXES-GJZGRUSLSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]CCCC(C)C)CC1 ZINC000336646493 386637157 /nfs/dbraw/zinc/63/71/57/386637157.db2.gz BGDZVQRBGVSFPZ-UHFFFAOYSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](CC)CC1)C1CC1 ZINC000119889479 387150011 /nfs/dbraw/zinc/15/00/11/387150011.db2.gz FWWVKKKTLLENCP-OAHLLOKOSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H]([NH2+]C1CC[NH+](CC)CC1)C1CC1 ZINC000119889358 387150256 /nfs/dbraw/zinc/15/02/56/387150256.db2.gz FWWVKKKTLLENCP-HNNXBMFYSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccco1 ZINC000423401330 387237138 /nfs/dbraw/zinc/23/71/38/387237138.db2.gz QUSXBXCITZBRCP-MCIONIFRSA-N 2 1 248.370 2.875 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423374562 387253968 /nfs/dbraw/zinc/25/39/68/387253968.db2.gz CIXJVIPBNIZSNN-BFHYXJOUSA-N 2 1 238.419 2.955 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423535262 387362153 /nfs/dbraw/zinc/36/21/53/387362153.db2.gz XGIFTXMYUOTOGC-CWRNSKLLSA-N 2 1 244.382 2.686 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502577 387365300 /nfs/dbraw/zinc/36/53/00/387365300.db2.gz KNNJBLUEXSJEIC-KGLIPLIRSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CC[C@@H](C)[C@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268881440 387417636 /nfs/dbraw/zinc/41/76/36/387417636.db2.gz RUKZNPBNDAOQFI-OLZOCXBDSA-N 2 1 235.375 2.772 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000527929770 387795062 /nfs/dbraw/zinc/79/50/62/387795062.db2.gz WLGMXILEERPNCO-BFHYXJOUSA-N 2 1 238.419 2.907 20 30 BFEDMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442832079 387848670 /nfs/dbraw/zinc/84/86/70/387848670.db2.gz CMINWBGVEPYHHK-KFWWJZLASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCCC1 ZINC000423154297 387932300 /nfs/dbraw/zinc/93/23/00/387932300.db2.gz JJKVINBIJNDGTB-UONOGXRCSA-N 2 1 236.403 2.711 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000423202312 387987363 /nfs/dbraw/zinc/98/73/63/387987363.db2.gz APIMNFKKIMDWTH-KBPBESRZSA-N 2 1 248.370 2.876 20 30 BFEDMP N#C[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000423259477 388038462 /nfs/dbraw/zinc/03/84/62/388038462.db2.gz DVTRJRRRQVCUSY-SNPRPXQTSA-N 2 1 249.402 2.566 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000423263991 388041795 /nfs/dbraw/zinc/04/17/95/388041795.db2.gz PIEQFKVVWQRKQM-QWHCGFSZSA-N 2 1 212.381 2.694 20 30 BFEDMP C[N@@H+](CCCC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000453401597 388073324 /nfs/dbraw/zinc/07/33/24/388073324.db2.gz MXAZFFCHCBQLFM-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](C#N)C2)CCCC1 ZINC000447510077 388074426 /nfs/dbraw/zinc/07/44/26/388074426.db2.gz OLAPCAIQOLHLJG-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336662775 388261006 /nfs/dbraw/zinc/26/10/06/388261006.db2.gz VGBGJXUWVRCKAZ-UHFFFAOYSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561236 388232854 /nfs/dbraw/zinc/23/28/54/388232854.db2.gz SPIQVAWRLYKCBU-UUQIVFDPSA-N 2 1 236.403 2.802 20 30 BFEDMP C=CC[C@H](CC)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000393787157 388442237 /nfs/dbraw/zinc/44/22/37/388442237.db2.gz YXNCLHHXUVEHEI-LBPRGKRZSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000649287304 388543697 /nfs/dbraw/zinc/54/36/97/388543697.db2.gz FPHJKNRRKKYLBU-AWEZNQCLSA-N 2 1 233.359 2.876 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](CC)C1)C1CC1 ZINC000245954812 388611550 /nfs/dbraw/zinc/61/15/50/388611550.db2.gz QJLMPXHTBAPJIS-UKRRQHHQSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000228825030 388774359 /nfs/dbraw/zinc/77/43/59/388774359.db2.gz CXPMFIJUJOEGIW-KGLIPLIRSA-N 2 1 224.392 2.661 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C(C2CC2)C2CC2)CC1 ZINC000152962526 388903591 /nfs/dbraw/zinc/90/35/91/388903591.db2.gz AQGDKQNQEZZCCX-UHFFFAOYSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(C)CC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000352124190 533484102 /nfs/dbraw/zinc/48/41/02/533484102.db2.gz WXRXAGRZVUSHRJ-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370676414 134226723 /nfs/dbraw/zinc/22/67/23/134226723.db2.gz KMYHTZJHEHCOTQ-ZNMIVQPWSA-N 2 1 236.403 2.948 20 30 BFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185820058 134391528 /nfs/dbraw/zinc/39/15/28/134391528.db2.gz IJWNQNGLTFMHHN-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185820058 134391530 /nfs/dbraw/zinc/39/15/30/134391530.db2.gz IJWNQNGLTFMHHN-UONOGXRCSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366536077 135088392 /nfs/dbraw/zinc/08/83/92/135088392.db2.gz YBOSFDJCQXCXDE-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCCC[N@H+](C)C[C@@]1(C)CC[NH2+]C1 ZINC000340702277 135227481 /nfs/dbraw/zinc/22/74/81/135227481.db2.gz YLMMOMIBVPOISE-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000309307073 397857619 /nfs/dbraw/zinc/85/76/19/397857619.db2.gz NIENJHPPPZBREF-AGUYFDCRSA-N 2 1 222.376 2.558 20 30 BFEDMP C=CC[N@@H+](C[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000647884922 397925988 /nfs/dbraw/zinc/92/59/88/397925988.db2.gz LBWHHIKAZIMHAV-HNNXBMFYSA-N 2 1 236.403 2.664 20 30 BFEDMP C#CCCC[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000277063522 166128335 /nfs/dbraw/zinc/12/83/35/166128335.db2.gz DGWBDOTXFJKLTJ-UHFFFAOYSA-N 2 1 247.386 2.571 20 30 BFEDMP C#CCCC[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000277063522 166128336 /nfs/dbraw/zinc/12/83/36/166128336.db2.gz DGWBDOTXFJKLTJ-UHFFFAOYSA-N 2 1 247.386 2.571 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000656787209 411365392 /nfs/dbraw/zinc/36/53/92/411365392.db2.gz GZGRAJRBLHKPRI-RRFJBIMHSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662299814 412086634 /nfs/dbraw/zinc/08/66/34/412086634.db2.gz XNPIUPDYYZGCFE-LSDHHAIUSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662299809 412087569 /nfs/dbraw/zinc/08/75/69/412087569.db2.gz XNPIUPDYYZGCFE-CABCVRRESA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCCC[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662314635 412096002 /nfs/dbraw/zinc/09/60/02/412096002.db2.gz PMQMEHFAGXTTFE-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651676336 487815233 /nfs/dbraw/zinc/81/52/33/487815233.db2.gz WVXIGMPMEUWYFQ-ILXRZTDVSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651676339 487815340 /nfs/dbraw/zinc/81/53/40/487815340.db2.gz WVXIGMPMEUWYFQ-RBSFLKMASA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000562533357 323023216 /nfs/dbraw/zinc/02/32/16/323023216.db2.gz NLPVXFCGKDLHHH-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C)CC1 ZINC000152012078 323099626 /nfs/dbraw/zinc/09/96/26/323099626.db2.gz VPQDBLVTWKNPNV-UKRRQHHQSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000121087683 324003552 /nfs/dbraw/zinc/00/35/52/324003552.db2.gz JBWABAIRIUOOHZ-ZFWWWQNUSA-N 2 1 236.403 2.663 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000341448804 534358876 /nfs/dbraw/zinc/35/88/76/534358876.db2.gz DHBNFECZOGVAMM-ZQDZILKHSA-N 2 1 236.403 2.804 20 30 BFEDMP C=C(CC)C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000358615500 534374035 /nfs/dbraw/zinc/37/40/35/534374035.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000358615500 534374044 /nfs/dbraw/zinc/37/40/44/534374044.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000358615500 534374050 /nfs/dbraw/zinc/37/40/50/534374050.db2.gz NQSOAMPGLBUVNT-KGLIPLIRSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000340422391 534555238 /nfs/dbraw/zinc/55/52/38/534555238.db2.gz AIVUSUAGHPSLPO-KBPBESRZSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCCC[N@H+](C)CCCCn1cc[nH+]c1C ZINC000120575269 534706669 /nfs/dbraw/zinc/70/66/69/534706669.db2.gz PDLMKNRKSQAZTD-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCC[N@@H+](C)CCCCn1cc[nH+]c1C ZINC000120575269 534706675 /nfs/dbraw/zinc/70/66/75/534706675.db2.gz PDLMKNRKSQAZTD-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCC[NH+](C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000354226542 534711705 /nfs/dbraw/zinc/71/17/05/534711705.db2.gz WOCMQRKKJRHYHP-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226542 534711709 /nfs/dbraw/zinc/71/17/09/534711709.db2.gz WOCMQRKKJRHYHP-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCC[N@H+](C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000354226542 534711712 /nfs/dbraw/zinc/71/17/12/534711712.db2.gz WOCMQRKKJRHYHP-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)C[NH+](CC)CC#CC[N@H+](CC)CC(=C)C ZINC000472757653 526547475 /nfs/dbraw/zinc/54/74/75/526547475.db2.gz XSMQHIHCZNYISV-UHFFFAOYSA-N 2 1 248.414 2.786 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000495094324 526604584 /nfs/dbraw/zinc/60/45/84/526604584.db2.gz SMQKRMNVEHIEBA-GZBFAFLISA-N 2 1 236.403 2.661 20 30 BFEDMP C#C[C@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000872139741 583948050 /nfs/dbraw/zinc/94/80/50/583948050.db2.gz OZOSVSRRGHWLAF-KKUMJFAQSA-N 2 1 248.414 2.641 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)C[C@H]1CC[C@@H]([NH3+])C1 ZINC000903431061 584761603 /nfs/dbraw/zinc/76/16/03/584761603.db2.gz KZKLNONKYALGGV-JKSUJKDBSA-N 2 1 244.382 2.802 20 30 BFEDMP C[C@H]1C[N@@H+](CCCCC2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000903716544 584791786 /nfs/dbraw/zinc/79/17/86/584791786.db2.gz OSSLPZTYKPOBQZ-KBPBESRZSA-N 2 1 249.402 2.520 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](C[C@@H]2CCCC[NH2+]C2)C1 ZINC000903764811 584797149 /nfs/dbraw/zinc/79/71/49/584797149.db2.gz BNJGRCZFTBHKMJ-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)CCC=C(C)C ZINC000815652649 586690904 /nfs/dbraw/zinc/69/09/04/586690904.db2.gz LFFFGEKLAVUCSX-OAHLLOKOSA-N 2 1 236.403 2.666 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)CCC=C(C)C ZINC000815652649 586690905 /nfs/dbraw/zinc/69/09/05/586690905.db2.gz LFFFGEKLAVUCSX-OAHLLOKOSA-N 2 1 236.403 2.666 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817941492 586845416 /nfs/dbraw/zinc/84/54/16/586845416.db2.gz QXLHSEVLWGQNRG-ZIAGYGMSSA-N 2 1 224.392 2.853 20 30 BFEDMP C#CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000829811237 587518911 /nfs/dbraw/zinc/51/89/11/587518911.db2.gz ZVZYWAAZNSVKDB-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP CCCCCCCC[N@@H+]1CCC[C@H]([NH3+])C1 ZINC000108665160 588480511 /nfs/dbraw/zinc/48/05/11/588480511.db2.gz KCRHZQWJDUYANO-ZDUSSCGKSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCCC[N@H+]1CCC[C@H]([NH3+])C1 ZINC000108665160 588480512 /nfs/dbraw/zinc/48/05/12/588480512.db2.gz KCRHZQWJDUYANO-ZDUSSCGKSA-N 2 1 212.381 2.770 20 30 BFEDMP C=CC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156014 589886014 /nfs/dbraw/zinc/88/60/14/589886014.db2.gz COOBNIORMUTIRP-HIFRSBDPSA-N 2 1 236.403 2.792 20 30 BFEDMP C#CCCCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000876908863 590256223 /nfs/dbraw/zinc/25/62/23/590256223.db2.gz RMECLAXPHWFIJO-UHFFFAOYSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000876936228 590259135 /nfs/dbraw/zinc/25/91/35/590259135.db2.gz TUNKGLZLAZVBHO-CVEARBPZSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000877070150 590277246 /nfs/dbraw/zinc/27/72/46/590277246.db2.gz LMSVBFCKOYDVMW-CABCVRRESA-N 2 1 236.403 2.642 20 30 BFEDMP C#CCCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000877070153 590277378 /nfs/dbraw/zinc/27/73/78/590277378.db2.gz LMSVBFCKOYDVMW-LSDHHAIUSA-N 2 1 236.403 2.642 20 30 BFEDMP C=CC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000878136087 590504381 /nfs/dbraw/zinc/50/43/81/590504381.db2.gz REQMIHUDIDAHLK-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@@H](C)[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000878136087 590504383 /nfs/dbraw/zinc/50/43/83/590504383.db2.gz REQMIHUDIDAHLK-ZIAGYGMSSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000878149351 590506068 /nfs/dbraw/zinc/50/60/68/590506068.db2.gz WHNVUELNVTWUSW-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C#CCCCCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000878550331 590590522 /nfs/dbraw/zinc/59/05/22/590590522.db2.gz SRBWPAAPTZXIGZ-UHFFFAOYSA-N 2 1 236.403 2.598 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880259050 590979218 /nfs/dbraw/zinc/97/92/18/590979218.db2.gz LHWLOONZIZRNOS-UONOGXRCSA-N 2 1 245.370 2.557 20 30 BFEDMP C=C(CC)C[N@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000880261866 590980814 /nfs/dbraw/zinc/98/08/14/590980814.db2.gz ZCBYMWSKOKONFM-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000883429436 591660749 /nfs/dbraw/zinc/66/07/49/591660749.db2.gz VWMPRSDTIGLGLK-RRFJBIMHSA-N 2 1 236.403 2.663 20 30 BFEDMP C=C(C)CC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887134943 592448709 /nfs/dbraw/zinc/44/87/09/592448709.db2.gz SUROYJWFEONIHZ-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887136025 592451385 /nfs/dbraw/zinc/45/13/85/592451385.db2.gz GQYGIZQOTGMQJT-ZIAGYGMSSA-N 2 1 245.370 2.557 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000328137257 633735542 /nfs/dbraw/zinc/73/55/42/633735542.db2.gz YRHJRZGTKIVZTM-AWEZNQCLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)CCC(C)(C)C ZINC000328137257 633735546 /nfs/dbraw/zinc/73/55/46/633735546.db2.gz YRHJRZGTKIVZTM-AWEZNQCLSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@@H+](CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000932462672 640534316 /nfs/dbraw/zinc/53/43/16/640534316.db2.gz BKUCBYONMJKZOM-UHFFFAOYSA-N 2 1 247.386 2.705 20 30 BFEDMP C#CC[N@H+](CCCCn1cc[nH+]c1C)C(C)(C)C ZINC000932462672 640534325 /nfs/dbraw/zinc/53/43/25/640534325.db2.gz BKUCBYONMJKZOM-UHFFFAOYSA-N 2 1 247.386 2.705 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000232951822 642637677 /nfs/dbraw/zinc/63/76/77/642637677.db2.gz LSLVCRKYEWIGES-ZDUSSCGKSA-N 2 1 212.381 2.628 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000385543667 711014627 /nfs/dbraw/zinc/01/46/27/711014627.db2.gz VCUIGWXBUHRMGG-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000385543667 711014629 /nfs/dbraw/zinc/01/46/29/711014629.db2.gz VCUIGWXBUHRMGG-HNNXBMFYSA-N 2 1 244.382 2.601 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000385560562 711015419 /nfs/dbraw/zinc/01/54/19/711015419.db2.gz ZLUZMSPYGWQWCO-OAHLLOKOSA-N 2 1 248.414 2.644 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000385560562 711015423 /nfs/dbraw/zinc/01/54/23/711015423.db2.gz ZLUZMSPYGWQWCO-OAHLLOKOSA-N 2 1 248.414 2.644 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901541 712875864 /nfs/dbraw/zinc/87/58/64/712875864.db2.gz CFSYHDUMNOPROR-UONOGXRCSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000720901541 712875866 /nfs/dbraw/zinc/87/58/66/712875866.db2.gz CFSYHDUMNOPROR-UONOGXRCSA-N 2 1 224.392 2.783 20 30 BFEDMP CCCCCCC[NH2+]C1CC[NH+](C)CC1 ZINC000059131082 961343698 /nfs/dbraw/zinc/34/36/98/961343698.db2.gz JFEMEVWBTYIIJR-UHFFFAOYSA-N 2 1 212.381 2.641 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000381385496 965028444 /nfs/dbraw/zinc/02/84/44/965028444.db2.gz LYDMEZBLAKKUAI-PNESKVBLSA-N 2 1 210.365 2.543 20 30 BFEDMP C=CCC[N@H+](CCCC[NH3+])Cc1ccccc1 ZINC001235701383 979131392 /nfs/dbraw/zinc/13/13/92/979131392.db2.gz ARLQUXFXSURZMH-UHFFFAOYSA-N 2 1 232.371 2.804 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@H]2[NH2+]CCC[C@H]2C1 ZINC001237383471 979877511 /nfs/dbraw/zinc/87/75/11/979877511.db2.gz PGYCHGURTHPLAV-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP C[NH+](C)[C@H]1CCCC[C@@H]1[NH2+]C1CCC(C#N)CC1 ZINC001256955966 971029554 /nfs/dbraw/zinc/02/95/54/971029554.db2.gz FJWPGKNQEATWQE-WUCCLRPBSA-N 2 1 249.402 2.531 20 30 BFEDMP CCCCCCCC[NH+]1CC2(C1)CC[NH2+]C2 ZINC000724110364 971495764 /nfs/dbraw/zinc/49/57/64/971495764.db2.gz GRUMSSMELZFLFW-UHFFFAOYSA-N 2 1 224.392 2.642 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+](C)C[C@H](C)C[NH3+])C[C@H](C1)C2 ZINC001257887533 971517494 /nfs/dbraw/zinc/51/74/94/971517494.db2.gz CNVWJLWIJIPSBS-JKXDFHQYSA-N 2 1 236.403 2.648 20 30 BFEDMP C=CC[NH+](CC=C)C1CC[NH+](CC(C)C)CC1 ZINC001258016384 971557945 /nfs/dbraw/zinc/55/79/45/971557945.db2.gz GWZDFKRZFVCJIR-UHFFFAOYSA-N 2 1 236.403 2.781 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+]CC[NH2+]C ZINC001246072520 972127547 /nfs/dbraw/zinc/12/75/47/972127547.db2.gz IDPLZHGGOHRBEL-GFCCVEGCSA-N 2 1 200.370 2.544 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+]CC[NH2+]C ZINC001246072523 972128325 /nfs/dbraw/zinc/12/83/25/972128325.db2.gz IDPLZHGGOHRBEL-LBPRGKRZSA-N 2 1 200.370 2.544 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+][C@@H](C)CC2)CC1 ZINC001210474982 957758809 /nfs/dbraw/zinc/75/88/09/957758809.db2.gz JTLHEYVQIVZXPS-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+][C@@H](C)CC2)CC1 ZINC001210474982 957758817 /nfs/dbraw/zinc/75/88/17/957758817.db2.gz JTLHEYVQIVZXPS-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[NH2+][C@@H](C)CC1 ZINC001210473173 957760610 /nfs/dbraw/zinc/76/06/10/957760610.db2.gz BIJGKKOXDDJZDH-AWEZNQCLSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465556 972502310 /nfs/dbraw/zinc/50/23/10/972502310.db2.gz UNVGURSLBPRWPZ-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@]2(CCC[NH2+]2)C1 ZINC001222465556 972502332 /nfs/dbraw/zinc/50/23/32/972502332.db2.gz UNVGURSLBPRWPZ-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC1 ZINC001167994967 963180355 /nfs/dbraw/zinc/18/03/55/963180355.db2.gz RRQKIXZEFPRVOR-YIONKMFJSA-N 2 1 234.387 2.510 20 30 BFEDMP C=CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1 ZINC001167994967 963180361 /nfs/dbraw/zinc/18/03/61/963180361.db2.gz RRQKIXZEFPRVOR-YIONKMFJSA-N 2 1 234.387 2.510 20 30 BFEDMP C=CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC1 ZINC001167994967 963180364 /nfs/dbraw/zinc/18/03/64/963180364.db2.gz RRQKIXZEFPRVOR-YIONKMFJSA-N 2 1 234.387 2.510 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]CC[C@@H]2C)CC1 ZINC001205325127 967540239 /nfs/dbraw/zinc/54/02/39/967540239.db2.gz JOPVAFCLTSOJFF-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[NH2+]C[C@H](C)C1 ZINC001206269687 968187077 /nfs/dbraw/zinc/18/70/77/968187077.db2.gz ROXVSJSANCBWMJ-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP C=CCCCC[NH+]1C[C@H]2C[N@@H+](CCC)C[C@H]2C1 ZINC001209207947 969396034 /nfs/dbraw/zinc/39/60/34/969396034.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209207947 969396041 /nfs/dbraw/zinc/39/60/41/969396041.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001209207947 969396049 /nfs/dbraw/zinc/39/60/49/969396049.db2.gz IFQTXJNROGNLIM-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1NCC[C@H]1CCC[NH2+]1 ZINC001169562805 969761217 /nfs/dbraw/zinc/76/12/17/969761217.db2.gz KPOQTHKHLMKOHW-CQSZACIVSA-N 2 1 245.370 2.673 20 30 BFEDMP C=CC[NH2+][C@@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390274 970128182 /nfs/dbraw/zinc/12/81/82/970128182.db2.gz ANGUBUJHJULBDL-MRXNPFEDSA-N 2 1 244.382 2.817 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3CC[C@H]4[NH2+]CC[C@H]43)C[C@H](C1)C2 ZINC001246640363 973059163 /nfs/dbraw/zinc/05/91/63/973059163.db2.gz SXZIFYJYTXBZJD-GZNJTBKBSA-N 2 1 246.398 2.558 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+](C)C[C@H]3CC[NH2+]C3)C[C@H](C1)C2 ZINC001246813314 973112146 /nfs/dbraw/zinc/11/21/46/973112146.db2.gz ICRDOMAVPNREOK-LSVZVQIISA-N 2 1 248.414 2.663 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838367 973139411 /nfs/dbraw/zinc/13/94/11/973139411.db2.gz BPPRAWPBKZLUCV-GOEBONIOSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001246838367 973139420 /nfs/dbraw/zinc/13/94/20/973139420.db2.gz BPPRAWPBKZLUCV-GOEBONIOSA-N 2 1 244.382 2.815 20 30 BFEDMP CC(C)[NH+](CC[NH2+][C@H](C)CCCC#N)C(C)C ZINC001172480311 974780387 /nfs/dbraw/zinc/78/03/87/974780387.db2.gz OQZIDSIPSAFATQ-CQSZACIVSA-N 2 1 239.407 2.777 20 30 BFEDMP C=CCC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001176770900 978183927 /nfs/dbraw/zinc/18/39/27/978183927.db2.gz BABCHEYODOYWKT-CABCVRRESA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001176770900 978183933 /nfs/dbraw/zinc/18/39/33/978183933.db2.gz BABCHEYODOYWKT-CABCVRRESA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001176770900 978183940 /nfs/dbraw/zinc/18/39/40/978183940.db2.gz BABCHEYODOYWKT-CABCVRRESA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC001234994539 978945669 /nfs/dbraw/zinc/94/56/69/978945669.db2.gz ULXBVECKGWFERT-OAHLLOKOSA-N 2 1 236.403 2.808 20 30 BFEDMP CCCCCCCC[N@H+]1CCC2(C[NH2+]C2)C1 ZINC001235023478 978954297 /nfs/dbraw/zinc/95/42/97/978954297.db2.gz BLOHXWKJXIVFDJ-UHFFFAOYSA-N 2 1 224.392 2.642 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC001235030938 978954435 /nfs/dbraw/zinc/95/44/35/978954435.db2.gz IYSLMOUOURWYBV-OAHLLOKOSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167207 978987455 /nfs/dbraw/zinc/98/74/55/978987455.db2.gz YCRXTMRLBSXITK-UONOGXRCSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235167207 978987461 /nfs/dbraw/zinc/98/74/61/978987461.db2.gz YCRXTMRLBSXITK-UONOGXRCSA-N 2 1 222.376 2.546 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@@H]21 ZINC001235255996 979011167 /nfs/dbraw/zinc/01/11/67/979011167.db2.gz DXYWEOBGQYRYKW-KGLIPLIRSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H](C2C[NH2+]C2)C1 ZINC001235337283 979028739 /nfs/dbraw/zinc/02/87/39/979028739.db2.gz IKBZRYRIBSIDJM-AWEZNQCLSA-N 2 1 238.419 2.888 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)C[C@H]([NH3+])C2)CC1 ZINC001236045547 979337011 /nfs/dbraw/zinc/33/70/11/979337011.db2.gz VUANLPHJWDQKCF-IMJJTQAJSA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)C[C@H]([NH3+])C2)CC1 ZINC001236045547 979337023 /nfs/dbraw/zinc/33/70/23/979337023.db2.gz VUANLPHJWDQKCF-IMJJTQAJSA-N 2 1 248.414 2.958 20 30 BFEDMP CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060459 979351498 /nfs/dbraw/zinc/35/14/98/979351498.db2.gz RLWJGBKTMLCPML-KBPBESRZSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)[NH2+]C2 ZINC001236060459 979351513 /nfs/dbraw/zinc/35/15/13/979351513.db2.gz RLWJGBKTMLCPML-KBPBESRZSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@@H]1C[NH3+] ZINC001236242875 979462372 /nfs/dbraw/zinc/46/23/72/979462372.db2.gz LANUVIMGKBBJTN-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@H]1C[NH3+] ZINC001236242875 979462375 /nfs/dbraw/zinc/46/23/75/979462375.db2.gz LANUVIMGKBBJTN-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=C(C)C[N@@H+](CC)Cc1cccc2c[nH+]cn21 ZINC001238112008 980157063 /nfs/dbraw/zinc/15/70/63/980157063.db2.gz AINNGIKTBPAXFO-UHFFFAOYSA-N 2 1 229.327 2.732 20 30 BFEDMP C=C(C)C[N@H+](CC)Cc1cccc2c[nH+]cn21 ZINC001238112008 980157066 /nfs/dbraw/zinc/15/70/66/980157066.db2.gz AINNGIKTBPAXFO-UHFFFAOYSA-N 2 1 229.327 2.732 20 30 BFEDMP C=CCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001205763334 982417815 /nfs/dbraw/zinc/41/78/15/982417815.db2.gz PCBSRYPKLVKNRF-GFCCVEGCSA-N 2 1 246.345 2.649 20 30 BFEDMP C=CCCC[NH+]1CCC[C@@]2(CCC[N@H+](C)C2)C1 ZINC001274962835 984420372 /nfs/dbraw/zinc/42/03/72/984420372.db2.gz VWTNLLLKVILGSA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274962835 984420391 /nfs/dbraw/zinc/42/03/91/984420391.db2.gz VWTNLLLKVILGSA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCC[N@@H+]1CCC[C@@]2(CCC[NH+](C)C2)C1 ZINC001274962835 984420395 /nfs/dbraw/zinc/42/03/95/984420395.db2.gz VWTNLLLKVILGSA-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC001258718127 986044873 /nfs/dbraw/zinc/04/48/73/986044873.db2.gz HOUAJDZMIVDBTP-YIYPIFLZSA-N 2 1 222.376 2.556 20 30 BFEDMP CCCCCCC[C@@H](CC)[NH2+]CC[NH2+]C ZINC001246071823 987360043 /nfs/dbraw/zinc/36/00/43/987360043.db2.gz BAUZCLFVYYHANE-CYBMUJFWSA-N 2 1 214.397 2.935 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+][C@]12C[C@H]1C[NH2+]C2 ZINC001246135202 987488205 /nfs/dbraw/zinc/48/82/05/987488205.db2.gz RFKVVUPMQDTNSH-IHRRRGAJSA-N 2 1 224.392 2.687 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+][C@@H](C)C[NH3+] ZINC001246199929 987595025 /nfs/dbraw/zinc/59/50/25/987595025.db2.gz MEOZDWDLOPFLEF-NEPJUHHUSA-N 2 1 200.370 2.672 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+]CC[NH2+]CC ZINC001246268885 987663453 /nfs/dbraw/zinc/66/34/53/987663453.db2.gz BGKPRENCNPNZCJ-ZDUSSCGKSA-N 2 1 214.397 2.935 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3CCC[NH2+][C@@H]3C)C[C@H](C1)C2 ZINC001246323739 987729109 /nfs/dbraw/zinc/72/91/09/987729109.db2.gz FJYVCWBTUOPNAZ-WOFIAXNJSA-N 2 1 248.414 2.851 20 30 BFEDMP C[C@@]1([NH3+])CCC[N@H+](C2CCC(CC#N)CC2)CC1 ZINC001246554454 987963205 /nfs/dbraw/zinc/96/32/05/987963205.db2.gz VEHNGAONDNMWTP-YMAMQOFZSA-N 2 1 249.402 2.662 20 30 BFEDMP C[C@@H](CCCC#N)[N@H+]1CCCC[C@@](C)(C[NH3+])C1 ZINC001246594334 988185784 /nfs/dbraw/zinc/18/57/84/988185784.db2.gz PZPVMWLADPAYHG-KBPBESRZSA-N 2 1 237.391 2.520 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]12CCC[NH2+]C2 ZINC001246611460 988236231 /nfs/dbraw/zinc/23/62/31/988236231.db2.gz TZTLVACDAJPUHC-KGLIPLIRSA-N 2 1 222.376 2.559 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+](C)C3CC[NH2+]CC3)C[C@H](C1)C2 ZINC001246694218 988444235 /nfs/dbraw/zinc/44/42/35/988444235.db2.gz MOBCHCKYXCPTLV-MZBDJJRSSA-N 2 1 248.414 2.805 20 30 BFEDMP CCCCCCC[N@@H+](C)[C@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246777513 988453761 /nfs/dbraw/zinc/45/37/61/988453761.db2.gz MLJWZOCTJUUQDW-QDMKHBRRSA-N 2 1 238.419 2.887 20 30 BFEDMP C=CC[NH+](CC=C)[C@@H]1CC[NH2+][C@@H](CCCC)C1 ZINC001246812972 988497819 /nfs/dbraw/zinc/49/78/19/988497819.db2.gz GQNLNSQXDARSNX-LSDHHAIUSA-N 2 1 236.403 2.971 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+]3CCC[C@H]3CC[NH3+])C[C@H](C1)C2 ZINC001246849227 988561203 /nfs/dbraw/zinc/56/12/03/988561203.db2.gz YXTLXJZVYKQNBK-QGPPMGRFSA-N 2 1 248.414 2.935 20 30 BFEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246867976 988629535 /nfs/dbraw/zinc/62/95/35/988629535.db2.gz JBVVWYWGGMSPEX-BFHYXJOUSA-N 2 1 224.392 2.768 20 30 BFEDMP CCCCCCC[C@H](C)[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001246867976 988629552 /nfs/dbraw/zinc/62/95/52/988629552.db2.gz JBVVWYWGGMSPEX-BFHYXJOUSA-N 2 1 224.392 2.768 20 30 BFEDMP CCCCCCC[C@H](C)[N@@H+](C)[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001246946682 988779034 /nfs/dbraw/zinc/77/90/34/988779034.db2.gz HHKYJSWSKJDACZ-BYNSBNAKSA-N 2 1 238.419 2.885 20 30 BFEDMP C=CC[N@H+]([C@@H](C)CC[NH2+]C)C1CCCCC1 ZINC001246944273 988780086 /nfs/dbraw/zinc/78/00/86/988780086.db2.gz BTSBPZQUMQFYJW-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CC[N@@H+](C1CCCCC1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246948498 988786288 /nfs/dbraw/zinc/78/62/88/988786288.db2.gz KKIPNBNIHMXCCE-UKRRQHHQSA-N 2 1 236.403 2.948 20 30 BFEDMP C#CC[N@H+](CCC=C)C1CC[NH+](CCC=C)CC1 ZINC001119320823 988942011 /nfs/dbraw/zinc/94/20/11/988942011.db2.gz YUAXABLSUKXPCW-UHFFFAOYSA-N 2 1 246.398 2.538 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC001326560423 989609092 /nfs/dbraw/zinc/60/90/92/989609092.db2.gz HFZYQTSWPWYFKF-APIJFGDWSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CC[N@@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028113 991489214 /nfs/dbraw/zinc/48/92/14/991489214.db2.gz LLIPCCADMKOJAH-UHFFFAOYSA-N 2 1 241.338 2.799 20 30 BFEDMP C=CC[N@H+](C)Cc1ccccc1-n1cc[nH+]c1C ZINC001140028113 991489216 /nfs/dbraw/zinc/48/92/16/991489216.db2.gz LLIPCCADMKOJAH-UHFFFAOYSA-N 2 1 241.338 2.799 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001574907716 992940645 /nfs/dbraw/zinc/94/06/45/992940645.db2.gz YVYRXKQICBOOIT-HNNXBMFYSA-N 2 1 236.403 2.808 20 30 BFEDMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602670216 349687001 /nfs/dbraw/zinc/68/70/01/349687001.db2.gz MOUUWYNGOOYYDJ-ZIAGYGMSSA-N 2 1 239.407 2.636 20 30 BFEDMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000602670216 349687003 /nfs/dbraw/zinc/68/70/03/349687003.db2.gz MOUUWYNGOOYYDJ-ZIAGYGMSSA-N 2 1 239.407 2.636 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000127536271 344193111 /nfs/dbraw/zinc/19/31/11/344193111.db2.gz AUIVBIHRDPJOMO-MELADBBJSA-N 2 1 226.408 2.907 20 30 BFEDMP C=C(C)C[N@H+](CC)CCC[NH+](CC)CC ZINC000191408085 347351750 /nfs/dbraw/zinc/35/17/50/347351750.db2.gz UCFXJZJBBNSOPZ-UHFFFAOYSA-N 2 1 212.381 2.616 20 30 BFEDMP C=C(C)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590819006 347568775 /nfs/dbraw/zinc/56/87/75/347568775.db2.gz RDGFTJCSTXPZHF-UHFFFAOYSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000336647953 350565378 /nfs/dbraw/zinc/56/53/78/350565378.db2.gz FYEVCRLNTAUJLR-UHFFFAOYSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C ZINC000336648088 350565778 /nfs/dbraw/zinc/56/57/78/350565778.db2.gz CJTQXDMSKBABHU-IHRRRGAJSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C ZINC000336648088 350565780 /nfs/dbraw/zinc/56/57/80/350565780.db2.gz CJTQXDMSKBABHU-IHRRRGAJSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CCC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000606897937 350623652 /nfs/dbraw/zinc/62/36/52/350623652.db2.gz ODWYEWWKBUAQLF-UHFFFAOYSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](C)[NH+](CC)CC ZINC000127535854 353271041 /nfs/dbraw/zinc/27/10/41/353271041.db2.gz AUIVBIHRDPJOMO-IHRRRGAJSA-N 2 1 226.408 2.907 20 30 BFEDMP C=C(C)C[N@H+](C)CCCc1nccn1CCC ZINC000191478608 353481142 /nfs/dbraw/zinc/48/11/42/353481142.db2.gz ZWSWWFXFWLAVSY-UHFFFAOYSA-N 2 1 235.375 2.734 20 30 BFEDMP C=C(C)C[N@@H+](C)CCCc1[nH+]ccn1CCC ZINC000191478608 353481145 /nfs/dbraw/zinc/48/11/45/353481145.db2.gz ZWSWWFXFWLAVSY-UHFFFAOYSA-N 2 1 235.375 2.734 20 30 BFEDMP C=C(C)C[N@H+](C)CCCc1[nH+]ccn1CCC ZINC000191478608 353481147 /nfs/dbraw/zinc/48/11/47/353481147.db2.gz ZWSWWFXFWLAVSY-UHFFFAOYSA-N 2 1 235.375 2.734 20 30 BFEDMP C=CCCC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000343759882 353975544 /nfs/dbraw/zinc/97/55/44/353975544.db2.gz JBLXGKFDHQXTCH-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CCCC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000343759882 353975545 /nfs/dbraw/zinc/97/55/45/353975545.db2.gz JBLXGKFDHQXTCH-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C=C(CC)C[NH+]1CCC(CC)([NH+](C)C)CC1 ZINC000640016972 358080886 /nfs/dbraw/zinc/08/08/86/358080886.db2.gz ILRHUOXUMNAKLC-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506786 359138316 /nfs/dbraw/zinc/13/83/16/359138316.db2.gz HZSIWKAWFBOODQ-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506786 359138321 /nfs/dbraw/zinc/13/83/21/359138321.db2.gz HZSIWKAWFBOODQ-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506786 359138325 /nfs/dbraw/zinc/13/83/25/359138325.db2.gz HZSIWKAWFBOODQ-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506786 359138326 /nfs/dbraw/zinc/13/83/26/359138326.db2.gz HZSIWKAWFBOODQ-DZGCQCFKSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000423357880 192730392 /nfs/dbraw/zinc/73/03/92/192730392.db2.gz IURVXMCPBHIUFX-IHRRRGAJSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629396514 361043344 /nfs/dbraw/zinc/04/33/44/361043344.db2.gz LYDNWSXQKZXSKM-IHRRRGAJSA-N 2 1 224.392 2.851 20 30 BFEDMP C=C(C)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532825 361301184 /nfs/dbraw/zinc/30/11/84/361301184.db2.gz WQIUEVOHDUJCRZ-UHFFFAOYSA-N 2 1 224.392 2.760 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)CCC)CC1 ZINC000152986706 201216026 /nfs/dbraw/zinc/21/60/26/201216026.db2.gz UURUUNWMLDFNSA-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP CC[C@@H]1CCC[NH+]1CC#CC[N@@H+]1CCC[C@@H]1CC ZINC000574658153 365116780 /nfs/dbraw/zinc/11/67/80/365116780.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 2 1 248.414 2.739 20 30 BFEDMP CC[C@@H]1CCC[N@H+]1CC#CC[NH+]1CCC[C@@H]1CC ZINC000574658153 365116788 /nfs/dbraw/zinc/11/67/88/365116788.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 2 1 248.414 2.739 20 30 BFEDMP CC[C@@H]1CCC[N@@H+]1CC#CC[NH+]1CCC[C@@H]1CC ZINC000574658153 365116795 /nfs/dbraw/zinc/11/67/95/365116795.db2.gz XENJFBOYOUTZSX-IYBDPMFKSA-N 2 1 248.414 2.739 20 30 BFEDMP C[C@@H]([NH2+]CCCC#N)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185706012 367140894 /nfs/dbraw/zinc/14/08/94/367140894.db2.gz QNWNALLZGMATJI-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000549041270 384265740 /nfs/dbraw/zinc/26/57/40/384265740.db2.gz NZIHGCKHTHDMJN-NUEKZKHPSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367597363 384492668 /nfs/dbraw/zinc/49/26/68/384492668.db2.gz MSOQWWQFEAARHC-ZNMIVQPWSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000309780055 384831666 /nfs/dbraw/zinc/83/16/66/384831666.db2.gz QVTHASRUWWUONO-XDQVBPFNSA-N 2 1 224.392 2.659 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000309780055 384831670 /nfs/dbraw/zinc/83/16/70/384831670.db2.gz QVTHASRUWWUONO-XDQVBPFNSA-N 2 1 224.392 2.659 20 30 BFEDMP C[N@@H+](CCCC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CC1 ZINC000453401599 386575910 /nfs/dbraw/zinc/57/59/10/386575910.db2.gz MXAZFFCHCBQLFM-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366882199 386771700 /nfs/dbraw/zinc/77/17/00/386771700.db2.gz KPHMTKRBEZKBLR-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000120117389 387174090 /nfs/dbraw/zinc/17/40/90/387174090.db2.gz YRRYXFJRKYKJGP-CJNGLKHVSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000423357176 387207797 /nfs/dbraw/zinc/20/77/97/387207797.db2.gz HWXLZLLYJCNLSZ-RDBSUJKOSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000423357879 387211269 /nfs/dbraw/zinc/21/12/69/387211269.db2.gz IURVXMCPBHIUFX-HZSPNIEDSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423530082 387359946 /nfs/dbraw/zinc/35/99/46/387359946.db2.gz PFOGBLYSWRPVRZ-OBJOEFQTSA-N 2 1 224.392 2.694 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643502576 387366278 /nfs/dbraw/zinc/36/62/78/387366278.db2.gz KNNJBLUEXSJEIC-KBPBESRZSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000527927058 387792706 /nfs/dbraw/zinc/79/27/06/387792706.db2.gz QYVMUGHDMGGTQL-STQMWFEESA-N 2 1 224.392 2.519 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000527927993 387792760 /nfs/dbraw/zinc/79/27/60/387792760.db2.gz SPEJQLFNXONKSW-KBPBESRZSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000527929773 387794528 /nfs/dbraw/zinc/79/45/28/387794528.db2.gz WLGMXILEERPNCO-MGPQQGTHSA-N 2 1 238.419 2.907 20 30 BFEDMP C=C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422993666 387803334 /nfs/dbraw/zinc/80/33/34/387803334.db2.gz TVKNAJJULJLJAD-NWANDNLSSA-N 2 1 230.355 2.644 20 30 BFEDMP C[NH+](C)C1(C[NH2+][C@@H]2CC[C@@H](C#N)C2)CCCCC1 ZINC000442632639 387810718 /nfs/dbraw/zinc/81/07/18/387810718.db2.gz FJUOAHIRKBREKZ-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccco1 ZINC000423186414 387971156 /nfs/dbraw/zinc/97/11/56/387971156.db2.gz OAKXGFMMTBRDIU-ZDUSSCGKSA-N 2 1 234.343 2.629 20 30 BFEDMP C=C[C@@H]1CCCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000489484734 388217628 /nfs/dbraw/zinc/21/76/28/388217628.db2.gz XOTHMGNMKZEFPI-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000489484734 388217630 /nfs/dbraw/zinc/21/76/30/388217630.db2.gz XOTHMGNMKZEFPI-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C[C@@H]1CCCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000489484734 388217632 /nfs/dbraw/zinc/21/76/32/388217632.db2.gz XOTHMGNMKZEFPI-ZIAGYGMSSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CCCCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000573059484 388414617 /nfs/dbraw/zinc/41/46/17/388414617.db2.gz UEPYNXZBJAEZML-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=CCCCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000573059484 388414618 /nfs/dbraw/zinc/41/46/18/388414618.db2.gz UEPYNXZBJAEZML-UHFFFAOYSA-N 2 1 235.375 2.870 20 30 BFEDMP C=C(C)CC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000352028581 134044455 /nfs/dbraw/zinc/04/44/55/134044455.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)CC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000352028581 134044456 /nfs/dbraw/zinc/04/44/56/134044456.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)CC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000352028581 134044457 /nfs/dbraw/zinc/04/44/57/134044457.db2.gz QGRROHKQQRPFAI-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)CCC#N ZINC000174259219 134280025 /nfs/dbraw/zinc/28/00/25/134280025.db2.gz KXHAQDAEHNBTNW-CYBMUJFWSA-N 2 1 239.407 2.636 20 30 BFEDMP CC[C@H](C[NH2+][C@H]1CCC[C@H](C#N)C1)[NH+]1CCCC1 ZINC000185774975 134394581 /nfs/dbraw/zinc/39/45/81/134394581.db2.gz GSRBYFMBYQNLIV-SOUVJXGZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H]2CC=CCC2)CC1 ZINC000122360786 135227335 /nfs/dbraw/zinc/22/73/35/135227335.db2.gz PFLOWPHEPCYSHX-HNNXBMFYSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@@H]2CC)CC1 ZINC000348125169 136033010 /nfs/dbraw/zinc/03/30/10/136033010.db2.gz XLISHZSFRRFPMD-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+]C[C@H](C)CC)CC1 ZINC000093067364 398094260 /nfs/dbraw/zinc/09/42/60/398094260.db2.gz GWUONNAIWNYETA-CYBMUJFWSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923824 398100314 /nfs/dbraw/zinc/10/03/14/398100314.db2.gz GDVODNOREOSHKR-CHWSQXEVSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@H](CC)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275399676 166301368 /nfs/dbraw/zinc/30/13/68/166301368.db2.gz CJQYZRWBHVPLLD-KGLIPLIRSA-N 2 1 247.386 2.780 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000651748686 411141165 /nfs/dbraw/zinc/14/11/65/411141165.db2.gz UNVYQLTWLSXIMX-HIFRSBDPSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000651822759 411146031 /nfs/dbraw/zinc/14/60/31/411146031.db2.gz JOKXSSJGLNAFDM-YZDRTPDPSA-N 2 1 248.414 2.946 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000651822754 411146136 /nfs/dbraw/zinc/14/61/36/411146136.db2.gz JOKXSSJGLNAFDM-BLNMRFBMSA-N 2 1 248.414 2.946 20 30 BFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]CCc1c[nH+]cn1C ZINC000657981368 411187397 /nfs/dbraw/zinc/18/73/97/411187397.db2.gz GWIWZCCUILCFIH-DZGCQCFKSA-N 2 1 247.386 2.687 20 30 BFEDMP C=CCCCCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000656201316 411206084 /nfs/dbraw/zinc/20/60/84/411206084.db2.gz VLZYCWHOEYVJMW-LBPRGKRZSA-N 2 1 233.359 2.891 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000656787207 411365422 /nfs/dbraw/zinc/36/54/22/411365422.db2.gz GZGRAJRBLHKPRI-KFWWJZLASA-N 2 1 236.403 2.663 20 30 BFEDMP C=CCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661306 411614444 /nfs/dbraw/zinc/61/44/44/411614444.db2.gz CFKDLDFQMIMFMJ-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661306 411614445 /nfs/dbraw/zinc/61/44/45/411614445.db2.gz CFKDLDFQMIMFMJ-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661306 411614446 /nfs/dbraw/zinc/61/44/46/411614446.db2.gz CFKDLDFQMIMFMJ-OAHLLOKOSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)C1 ZINC000651681175 487816869 /nfs/dbraw/zinc/81/68/69/487816869.db2.gz GGCVVDLFJGJSCH-KFWWJZLASA-N 2 1 236.403 2.663 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000569379825 322964981 /nfs/dbraw/zinc/96/49/81/322964981.db2.gz SLVUXUJQMDRVFP-HNNXBMFYSA-N 2 1 248.414 2.949 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC23CC3)CC1 ZINC000527858452 323711006 /nfs/dbraw/zinc/71/10/06/323711006.db2.gz KIHVHDJLPKKKDS-ZFWWWQNUSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)CC2CC2)CC1 ZINC000153006944 325859111 /nfs/dbraw/zinc/85/91/11/325859111.db2.gz HRDNHDGJPXHXCI-CYBMUJFWSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000566778548 326081951 /nfs/dbraw/zinc/08/19/51/326081951.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000566778548 326081954 /nfs/dbraw/zinc/08/19/54/326081954.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000566778548 326081955 /nfs/dbraw/zinc/08/19/55/326081955.db2.gz TYWWLKTZCQXJGA-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000358515234 534370992 /nfs/dbraw/zinc/37/09/92/534370992.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000358515234 534371000 /nfs/dbraw/zinc/37/10/00/534371000.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000358515234 534371008 /nfs/dbraw/zinc/37/10/08/534371008.db2.gz XLZGOUUIGNZJSR-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000358500243 534398016 /nfs/dbraw/zinc/39/80/16/534398016.db2.gz PSVDSIHBVXJNAP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000358500243 534398024 /nfs/dbraw/zinc/39/80/24/534398024.db2.gz PSVDSIHBVXJNAP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000358500243 534398031 /nfs/dbraw/zinc/39/80/31/534398031.db2.gz PSVDSIHBVXJNAP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000358500241 534396955 /nfs/dbraw/zinc/39/69/55/534396955.db2.gz PSVDSIHBVXJNAP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000358500241 534396961 /nfs/dbraw/zinc/39/69/61/534396961.db2.gz PSVDSIHBVXJNAP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(CC)C[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000358500241 534396967 /nfs/dbraw/zinc/39/69/67/534396967.db2.gz PSVDSIHBVXJNAP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[NH+]1CC[C@H](C[N@H+](C)CCC)C1 ZINC000081516779 534720892 /nfs/dbraw/zinc/72/08/92/534720892.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081516779 534720898 /nfs/dbraw/zinc/72/08/98/534720898.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@H](C[NH+](C)CCC)C1 ZINC000081516779 534720902 /nfs/dbraw/zinc/72/09/02/534720902.db2.gz UTHANTFTOUMMNP-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=C(C)C[NH+](C)[C@H](C)CC[N@@H+](C)CC(=C)C ZINC000351093043 538700436 /nfs/dbraw/zinc/70/04/36/538700436.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C=C(C)C[NH+](C)CC[C@@H](C)[N@H+](C)CC(=C)C ZINC000351093043 538700442 /nfs/dbraw/zinc/70/04/42/538700442.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C=C(C)C[NH+](C)CC[C@@H](C)[N@@H+](C)CC(=C)C ZINC000351093043 538700445 /nfs/dbraw/zinc/70/04/45/538700445.db2.gz AKEYKYQMXNKLRB-CQSZACIVSA-N 2 1 224.392 2.781 20 30 BFEDMP C#CCCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000878511243 583378196 /nfs/dbraw/zinc/37/81/96/583378196.db2.gz BTYIENKHYWTVBJ-HNNXBMFYSA-N 2 1 236.403 2.596 20 30 BFEDMP C#CCCCCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878661526 583390455 /nfs/dbraw/zinc/39/04/55/583390455.db2.gz DJFPNLFZZZKSJR-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000878661526 583390451 /nfs/dbraw/zinc/39/04/51/583390451.db2.gz DJFPNLFZZZKSJR-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000878661526 583390456 /nfs/dbraw/zinc/39/04/56/583390456.db2.gz DJFPNLFZZZKSJR-MRXNPFEDSA-N 2 1 248.414 2.598 20 30 BFEDMP N#CC1CCC(C[N@@H+]2CCCC[C@H]2CC[NH3+])CC1 ZINC000903451824 584771920 /nfs/dbraw/zinc/77/19/20/584771920.db2.gz DYDBUKAVFKVESF-NRXISQOPSA-N 2 1 249.402 2.520 20 30 BFEDMP N#CC1(CCCC[N@@H+]2CCC[C@H](C[NH3+])C2)CCC1 ZINC000903713656 584793470 /nfs/dbraw/zinc/79/34/70/584793470.db2.gz YWFVEIUODPCMKF-CQSZACIVSA-N 2 1 249.402 2.521 20 30 BFEDMP C=CCCC[N@@H+]1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000903815009 584800764 /nfs/dbraw/zinc/80/07/64/584800764.db2.gz PBOYAMRLGYYHKH-CQSZACIVSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCC[N@@H+]1CCCC[C@H]1C1(C[NH3+])CCC1 ZINC000903814040 584803684 /nfs/dbraw/zinc/80/36/84/584803684.db2.gz JFVYOMFJAVOJMP-ZDUSSCGKSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1F)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904312096 584863061 /nfs/dbraw/zinc/86/30/61/584863061.db2.gz GGRWLWVVNFAAEF-XBXGTLAGSA-N 2 1 248.345 2.551 20 30 BFEDMP C=CC[N@H+](CCC[NH+](CC)CC)C(C)C ZINC000754987758 585292872 /nfs/dbraw/zinc/29/28/72/585292872.db2.gz ARCPIXSLLQUZHC-UHFFFAOYSA-N 2 1 212.381 2.615 20 30 BFEDMP C=C(CC)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799179337 586165645 /nfs/dbraw/zinc/16/56/45/586165645.db2.gz IXPFJVGKIFUQHV-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000815652642 586690459 /nfs/dbraw/zinc/69/04/59/586690459.db2.gz LBSCCBAFDMOTCV-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@@H](C)[C@H](C)CCCC ZINC000815652642 586690460 /nfs/dbraw/zinc/69/04/60/586690460.db2.gz LBSCCBAFDMOTCV-CABCVRRESA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000817960251 586851832 /nfs/dbraw/zinc/85/18/32/586851832.db2.gz LATMVWDTBKJFNW-TZMCWYRMSA-N 2 1 224.392 2.838 20 30 BFEDMP C#CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000829779291 587515718 /nfs/dbraw/zinc/51/57/18/587515718.db2.gz QDLFPASQRXSDPA-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000829779291 587515720 /nfs/dbraw/zinc/51/57/20/587515720.db2.gz QDLFPASQRXSDPA-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CC[C@@H]1CCC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000829779291 587515722 /nfs/dbraw/zinc/51/57/22/587515722.db2.gz QDLFPASQRXSDPA-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP CCCCCCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000863539571 589296429 /nfs/dbraw/zinc/29/64/29/589296429.db2.gz FFAWZJNDMQNHJR-STQMWFEESA-N 2 1 212.381 2.544 20 30 BFEDMP C#CCCCCCC[NH2+]C[C@@H]1CC[N@H+](CC)C1 ZINC000876943296 590259344 /nfs/dbraw/zinc/25/93/44/590259344.db2.gz OZCLZHMZQAGFSV-HNNXBMFYSA-N 2 1 236.403 2.502 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877546318 590352669 /nfs/dbraw/zinc/35/26/69/590352669.db2.gz QOFWYIKKLILOFI-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000877546318 590352663 /nfs/dbraw/zinc/35/26/63/590352663.db2.gz QOFWYIKKLILOFI-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000877546318 590352665 /nfs/dbraw/zinc/35/26/65/590352665.db2.gz QOFWYIKKLILOFI-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C#CCCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000877571135 590362285 /nfs/dbraw/zinc/36/22/85/590362285.db2.gz WVIMZYOJVVAQBT-MQVJKMGUSA-N 2 1 248.414 2.785 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877738213 590405405 /nfs/dbraw/zinc/40/54/05/590405405.db2.gz APCPLTVOBMKFRQ-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[NH+]1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877738213 590405406 /nfs/dbraw/zinc/40/54/06/590405406.db2.gz APCPLTVOBMKFRQ-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738213 590405408 /nfs/dbraw/zinc/40/54/08/590405408.db2.gz APCPLTVOBMKFRQ-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCCCCCC[N@H+]1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000877738213 590405409 /nfs/dbraw/zinc/40/54/09/590405409.db2.gz APCPLTVOBMKFRQ-HZPDHXFCSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CC[C@H](C)[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000878339021 590550315 /nfs/dbraw/zinc/55/03/15/590550315.db2.gz HDXGTNJPCZAWBK-ZDUSSCGKSA-N 2 1 222.376 2.511 20 30 BFEDMP C=CC[C@H](C)[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000878339021 590550316 /nfs/dbraw/zinc/55/03/16/590550316.db2.gz HDXGTNJPCZAWBK-ZDUSSCGKSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C(C)C[NH+]1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879947989 590895702 /nfs/dbraw/zinc/89/57/02/590895702.db2.gz RRGINPKATKHBGK-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000883439015 591667109 /nfs/dbraw/zinc/66/71/09/591667109.db2.gz HBXYCNNXOSCRQQ-JSGCOSHPSA-N 2 1 224.392 2.648 20 30 BFEDMP C=CCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000887133267 592448880 /nfs/dbraw/zinc/44/88/80/592448880.db2.gz XUGQZHMQYPRCEK-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H](CC[NH3+])C1 ZINC000125531661 634530652 /nfs/dbraw/zinc/53/06/52/634530652.db2.gz OSSQORTWZATSSZ-ZDUSSCGKSA-N 2 1 212.381 2.628 20 30 BFEDMP C=CCCC[N@H+](CC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000904472000 637426120 /nfs/dbraw/zinc/42/61/20/637426120.db2.gz KQRRHBCTNZFPQA-KGLIPLIRSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[C@@H]1CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934460959 641155028 /nfs/dbraw/zinc/15/50/28/641155028.db2.gz LIPJRDGQUXTDJH-CQSZACIVSA-N 2 1 222.376 2.513 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000252786468 644906680 /nfs/dbraw/zinc/90/66/80/644906680.db2.gz VNUJNKQXRCGSIE-QWHCGFSZSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CCCC[NH2+][C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925655848 646394626 /nfs/dbraw/zinc/39/46/26/646394626.db2.gz WZFFCNPOYSNIKT-GXTWGEPZSA-N 2 1 218.344 2.631 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000925732029 646456092 /nfs/dbraw/zinc/45/60/92/646456092.db2.gz WMQXLTXWWIVZCT-STQMWFEESA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCCCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC001209440461 957474130 /nfs/dbraw/zinc/47/41/30/957474130.db2.gz KWQVHPWWHVEFNN-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209440461 957474139 /nfs/dbraw/zinc/47/41/39/957474139.db2.gz KWQVHPWWHVEFNN-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCCCC[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC001209440461 957474151 /nfs/dbraw/zinc/47/41/51/957474151.db2.gz KWQVHPWWHVEFNN-GASCZTMLSA-N 2 1 236.403 2.616 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@](C)([NH3+])CC1 ZINC001205255525 967447297 /nfs/dbraw/zinc/44/72/97/967447297.db2.gz JVKCIHOQKHJFDZ-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP CCCCCCC[N@@H+](C)C[C@H]([NH3+])CC ZINC001235663096 979108773 /nfs/dbraw/zinc/10/87/73/979108773.db2.gz QMDAEKRFOZWHIB-GFCCVEGCSA-N 2 1 200.370 2.626 20 30 BFEDMP C=CCCCCCCC[N@H+]1CCC[C@H]1C[NH3+] ZINC001235724157 979134555 /nfs/dbraw/zinc/13/45/55/979134555.db2.gz DPSFFBMVPYTWKZ-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CCC[C@H]1C[NH3+] ZINC001235724157 979134565 /nfs/dbraw/zinc/13/45/65/979134565.db2.gz DPSFFBMVPYTWKZ-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203540 979846455 /nfs/dbraw/zinc/84/64/55/979846455.db2.gz HWLKHTKESOWYIW-YUELXQCFSA-N 2 1 234.387 2.711 20 30 BFEDMP C=CCCCC[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])CC1 ZINC001205602754 981168169 /nfs/dbraw/zinc/16/81/69/981168169.db2.gz MESLOUNBGLMCGY-UONOGXRCSA-N 2 1 224.392 2.650 20 30 BFEDMP CCCCCCC[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001201798252 983474935 /nfs/dbraw/zinc/47/49/35/983474935.db2.gz SQINQSTVQVZEBV-HUUCEWRRSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[N@@H+]1C[C@H]2C[NH+](CC)C[C@H]2C1 ZINC001201798504 983478036 /nfs/dbraw/zinc/47/80/36/983478036.db2.gz WTYVOKJJCJUUQB-GASCZTMLSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2C[N@@H+](CC)C[C@H]2C1 ZINC001201798504 983478040 /nfs/dbraw/zinc/47/80/40/983478040.db2.gz WTYVOKJJCJUUQB-GASCZTMLSA-N 2 1 238.419 2.840 20 30 BFEDMP CCCCCCC[NH+]1C[C@H]2C[N@H+](CC)C[C@H]2C1 ZINC001201798504 983478042 /nfs/dbraw/zinc/47/80/42/983478042.db2.gz WTYVOKJJCJUUQB-GASCZTMLSA-N 2 1 238.419 2.840 20 30 BFEDMP C#CCCCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256907048 971023626 /nfs/dbraw/zinc/02/36/26/971023626.db2.gz XQPGACITWQUQHU-OAHLLOKOSA-N 2 1 248.414 2.787 20 30 BFEDMP C#CCCCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256907048 971023633 /nfs/dbraw/zinc/02/36/33/971023633.db2.gz XQPGACITWQUQHU-OAHLLOKOSA-N 2 1 248.414 2.787 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](N)[C@@H](F)CC1 ZINC001206156943 974331973 /nfs/dbraw/zinc/33/19/73/974331973.db2.gz UPINLQUYDLYBJN-QWHCGFSZSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156943 974331983 /nfs/dbraw/zinc/33/19/83/974331983.db2.gz UPINLQUYDLYBJN-QWHCGFSZSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@@H](F)CC1 ZINC001206156943 974331992 /nfs/dbraw/zinc/33/19/92/974331992.db2.gz UPINLQUYDLYBJN-QWHCGFSZSA-N 2 1 230.371 2.718 20 30 BFEDMP C=C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC001246493244 972353679 /nfs/dbraw/zinc/35/36/79/972353679.db2.gz YXIAOVFWZVQWHN-VHDGCEQUSA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@]12CCC[NH2+]C2 ZINC001222237729 972422460 /nfs/dbraw/zinc/42/24/60/972422460.db2.gz RBZSCVCJLWZQFH-CQSZACIVSA-N 2 1 222.376 2.561 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385375 972450798 /nfs/dbraw/zinc/45/07/98/972450798.db2.gz LGVUBZATYJGNMA-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@]2(CCCC[NH2+]2)C1 ZINC001222385375 972450801 /nfs/dbraw/zinc/45/08/01/972450801.db2.gz LGVUBZATYJGNMA-OAHLLOKOSA-N 2 1 236.403 2.951 20 30 BFEDMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695841287 960504443 /nfs/dbraw/zinc/50/44/43/960504443.db2.gz GUODLCDRIOXEEA-ZDUSSCGKSA-N 2 1 239.407 2.635 20 30 BFEDMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695843263 960505271 /nfs/dbraw/zinc/50/52/71/960505271.db2.gz PAUWNJDMCFSWAJ-STQMWFEESA-N 2 1 239.407 2.635 20 30 BFEDMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000695843263 960505281 /nfs/dbraw/zinc/50/52/81/960505281.db2.gz PAUWNJDMCFSWAJ-STQMWFEESA-N 2 1 239.407 2.635 20 30 BFEDMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695840483 960510131 /nfs/dbraw/zinc/51/01/31/960510131.db2.gz BSVWLNMFQVUAGY-OLZOCXBDSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CCc1cc(C)c[nH+]c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162394288 964954705 /nfs/dbraw/zinc/95/47/05/964954705.db2.gz OSPINZPSXSPPDU-KGLIPLIRSA-N 2 1 245.370 2.800 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@]2([NH3+])C1 ZINC001235978216 966192342 /nfs/dbraw/zinc/19/23/42/966192342.db2.gz JMBYZBFNZWEDQL-KBPBESRZSA-N 2 1 222.376 2.546 20 30 BFEDMP C=C[C@H]1CCCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001205583736 967706493 /nfs/dbraw/zinc/70/64/93/967706493.db2.gz SUYSSWBCXXFZKE-HNNXBMFYSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@@H](C[NH3+])[C@H]1C ZINC001205905268 967880915 /nfs/dbraw/zinc/88/09/15/967880915.db2.gz ZVWVVZMXKBOXTJ-KGLIPLIRSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153178 968090946 /nfs/dbraw/zinc/09/09/46/968090946.db2.gz CDBHTASNIVHTEZ-ZIAGYGMSSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]([NH3+])[C@H](F)CC1 ZINC001206153178 968090935 /nfs/dbraw/zinc/09/09/35/968090935.db2.gz CDBHTASNIVHTEZ-ZIAGYGMSSA-N 2 1 242.382 2.884 20 30 BFEDMP C=CCCCC[NH+]1CCC([N@@H+](C)C2CC2)CC1 ZINC001209207107 969392549 /nfs/dbraw/zinc/39/25/49/969392549.db2.gz LXLPZBNWSHPZQA-UHFFFAOYSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209207927 969397656 /nfs/dbraw/zinc/39/76/56/969397656.db2.gz HZNMWLQMDBDHOV-UHFFFAOYSA-N 2 1 222.376 2.513 20 30 BFEDMP C#CCCC[N@H+](C)C1CC[NH+](CCCC)CC1 ZINC001209267103 969419491 /nfs/dbraw/zinc/41/94/91/969419491.db2.gz ADCDBKVBARXDRI-UHFFFAOYSA-N 2 1 236.403 2.596 20 30 BFEDMP C=CC[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(C)(C)C ZINC001169155029 969470141 /nfs/dbraw/zinc/47/01/41/969470141.db2.gz WHLLWOBXYGAFEH-WDNDVIMCSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[NH+]([C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC001169155029 969470148 /nfs/dbraw/zinc/47/01/48/969470148.db2.gz WHLLWOBXYGAFEH-WDNDVIMCSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169155029 969470155 /nfs/dbraw/zinc/47/01/55/969470155.db2.gz WHLLWOBXYGAFEH-WDNDVIMCSA-N 2 1 236.403 2.898 20 30 BFEDMP C=CC[N@H+]([C@H]1C[C@H]2CC[C@@H](C1)[NH+]2C)C(C)(C)C ZINC001169155029 969470164 /nfs/dbraw/zinc/47/01/64/969470164.db2.gz WHLLWOBXYGAFEH-WDNDVIMCSA-N 2 1 236.403 2.898 20 30 BFEDMP CC(C)[NH+](CC[NH2+][C@@H](C)CCCC#N)C(C)C ZINC001172480310 974779024 /nfs/dbraw/zinc/77/90/24/974779024.db2.gz OQZIDSIPSAFATQ-AWEZNQCLSA-N 2 1 239.407 2.777 20 30 BFEDMP C[N@@H+](C1CCC([NH3+])CC1)C1CCC(C)(C#N)CC1 ZINC001173586137 975427063 /nfs/dbraw/zinc/42/70/63/975427063.db2.gz JBKXHZIFFQAJMY-UHFFFAOYSA-N 2 1 249.402 2.661 20 30 BFEDMP C=CCC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC001176770902 978182157 /nfs/dbraw/zinc/18/21/57/978182157.db2.gz BABCHEYODOYWKT-HUUCEWRRSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC001176770902 978182163 /nfs/dbraw/zinc/18/21/63/978182163.db2.gz BABCHEYODOYWKT-HUUCEWRRSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC001176770902 978182169 /nfs/dbraw/zinc/18/21/69/978182169.db2.gz BABCHEYODOYWKT-HUUCEWRRSA-N 2 1 236.403 2.901 20 30 BFEDMP CCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025446 978956275 /nfs/dbraw/zinc/95/62/75/978956275.db2.gz BBGGTJLIFRBLHF-UONOGXRCSA-N 2 1 224.392 2.641 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC001235254496 979009425 /nfs/dbraw/zinc/00/94/25/979009425.db2.gz JMEAJTANKTWUGI-GJZGRUSLSA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H]2C[NH2+]CC[C@H]21 ZINC001235256001 979011296 /nfs/dbraw/zinc/01/12/96/979011296.db2.gz DXYWEOBGQYRYKW-ZIAGYGMSSA-N 2 1 224.392 2.641 20 30 BFEDMP CCCCCCCCC[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001235283481 979016270 /nfs/dbraw/zinc/01/62/70/979016270.db2.gz PMQYHGCRACHVKK-BTTYYORXSA-N 2 1 224.392 2.626 20 30 BFEDMP CCCCCCC[N@@H+](CC)CCC[NH2+]C ZINC001235664061 979114584 /nfs/dbraw/zinc/11/45/84/979114584.db2.gz XWPASMIWDUBHDM-UHFFFAOYSA-N 2 1 214.397 2.888 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235981541 979258921 /nfs/dbraw/zinc/25/89/21/979258921.db2.gz WRWYINDDCSWUTP-OWCLPIDISA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CC[C@@]3([NH3+])C2)CC1 ZINC001235981541 979258927 /nfs/dbraw/zinc/25/89/27/979258927.db2.gz WRWYINDDCSWUTP-OWCLPIDISA-N 2 1 246.398 2.712 20 30 BFEDMP CCCCCCCCC[N@@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236013823 979299211 /nfs/dbraw/zinc/29/92/11/979299211.db2.gz CEYSXRMZFYVZLR-ZIAGYGMSSA-N 2 1 224.392 2.770 20 30 BFEDMP CCCCCCCCC[N@H+]1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236013823 979299225 /nfs/dbraw/zinc/29/92/25/979299225.db2.gz CEYSXRMZFYVZLR-ZIAGYGMSSA-N 2 1 224.392 2.770 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H]([NH3+])C[C@H](C)C2)CC1 ZINC001236045548 979335775 /nfs/dbraw/zinc/33/57/75/979335775.db2.gz VUANLPHJWDQKCF-NUEKZKHPSA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H]([NH3+])C[C@H](C)C2)CC1 ZINC001236045548 979335792 /nfs/dbraw/zinc/33/57/92/979335792.db2.gz VUANLPHJWDQKCF-NUEKZKHPSA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[NH2+][C@@H](C)C2)CC1 ZINC001236099068 979388441 /nfs/dbraw/zinc/38/84/41/979388441.db2.gz WSYVHGYJNQXNBH-GOEBONIOSA-N 2 1 248.414 2.973 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[C@@](C)(C[NH3+])C2)CC1 ZINC001236603594 979675366 /nfs/dbraw/zinc/67/53/66/979675366.db2.gz AQJRUPDAFVTLPG-CVEARBPZSA-N 2 1 248.414 2.960 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC001237203540 979846450 /nfs/dbraw/zinc/84/64/50/979846450.db2.gz HWLKHTKESOWYIW-YUELXQCFSA-N 2 1 234.387 2.711 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@@H]2[NH2+]CCC[C@H]2C1 ZINC001237383469 979878670 /nfs/dbraw/zinc/87/86/70/979878670.db2.gz PGYCHGURTHPLAV-GJZGRUSLSA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCCC[NH+]1CCC2(CCC[N@H+](C)C2)CC1 ZINC001274962639 984421442 /nfs/dbraw/zinc/42/14/42/984421442.db2.gz QAJAAVZBONFZCV-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001258720262 986052200 /nfs/dbraw/zinc/05/22/00/986052200.db2.gz WNOAOJORKINROC-APIJFGDWSA-N 2 1 236.403 2.946 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001258720262 986052213 /nfs/dbraw/zinc/05/22/13/986052213.db2.gz WNOAOJORKINROC-APIJFGDWSA-N 2 1 236.403 2.946 20 30 BFEDMP CCCCCCC[C@H](CC)[NH2+]CC[NH3+] ZINC001246083037 987382764 /nfs/dbraw/zinc/38/27/64/987382764.db2.gz ZKTUCEUCFRIZOY-LBPRGKRZSA-N 2 1 200.370 2.674 20 30 BFEDMP CCCCCCC[C@H](C)[NH2+][C@@H](C)C[NH3+] ZINC001246199931 987596248 /nfs/dbraw/zinc/59/62/48/987596248.db2.gz MEOZDWDLOPFLEF-RYUDHWBXSA-N 2 1 200.370 2.672 20 30 BFEDMP CCCCCCC[C@@H](CC)[NH2+]C[C@@H]([NH3+])COC ZINC001246237128 987636084 /nfs/dbraw/zinc/63/60/84/987636084.db2.gz AOJXHKRZONRXBO-ZIAGYGMSSA-N 2 1 244.423 2.689 20 30 BFEDMP C=C1C[C@@H]2CC([N@@H+]3C[C@@H]([NH3+])C4(CC4)C3)C[C@H](C1)C2 ZINC001246530827 987887864 /nfs/dbraw/zinc/88/78/64/987887864.db2.gz CEFFXGMTHAMZPD-IZGVIRRGSA-N 2 1 246.398 2.544 20 30 BFEDMP C=C1C[C@@H]2CC([N@H+]3C[C@@H]([NH3+])C4(CC4)C3)C[C@H](C1)C2 ZINC001246530827 987887866 /nfs/dbraw/zinc/88/78/66/987887866.db2.gz CEFFXGMTHAMZPD-IZGVIRRGSA-N 2 1 246.398 2.544 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCC[C@@]2(CCCC[NH2+]2)C1 ZINC001246612143 988236554 /nfs/dbraw/zinc/23/65/54/988236554.db2.gz HNPRVFKZVKUISY-GJZGRUSLSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCC[C@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644048 988357872 /nfs/dbraw/zinc/35/78/72/988357872.db2.gz PCSQRWPFFPLSCQ-UONOGXRCSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@H](C)CC[NH2+]C ZINC001246838051 988542145 /nfs/dbraw/zinc/54/21/45/988542145.db2.gz AJTIQPHKMDAYGZ-CQSZACIVSA-N 2 1 232.371 2.673 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@H](C)CC[NH2+]C ZINC001246838051 988542153 /nfs/dbraw/zinc/54/21/53/988542153.db2.gz AJTIQPHKMDAYGZ-CQSZACIVSA-N 2 1 232.371 2.673 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)C1 ZINC001560623175 991523365 /nfs/dbraw/zinc/52/33/65/991523365.db2.gz QXERVOGKGJECJG-IBEHDNSVSA-N 2 1 248.414 2.661 20 30 BFEDMP C=CCC[C@@H](C)[N@H+](CCN)Cc1ccccc1 ZINC001258717512 991646631 /nfs/dbraw/zinc/64/66/31/991646631.db2.gz UENOFGUOILFPOD-CQSZACIVSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+](CCN)Cc1ccccc1 ZINC001258717512 991646635 /nfs/dbraw/zinc/64/66/35/991646635.db2.gz UENOFGUOILFPOD-CQSZACIVSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@@H](C)[N@H+](CC[NH3+])Cc1ccccc1 ZINC001258717512 991646637 /nfs/dbraw/zinc/64/66/37/991646637.db2.gz UENOFGUOILFPOD-CQSZACIVSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+](CC[NH3+])Cc1ccccc1 ZINC001258717512 991646640 /nfs/dbraw/zinc/64/66/40/991646640.db2.gz UENOFGUOILFPOD-CQSZACIVSA-N 2 1 232.371 2.802 20 30 BFEDMP C=CCC[C@H](C)[NH+]1CCC([NH+]2CCC2)CC1 ZINC001258735853 991683648 /nfs/dbraw/zinc/68/36/48/991683648.db2.gz DIOIMRBIMPLYKY-ZDUSSCGKSA-N 2 1 222.376 2.511 20 30 BFEDMP C=C(CC)C[NH+]1CCC([NH+](CC)CC)CC1 ZINC001319780115 991981036 /nfs/dbraw/zinc/98/10/36/991981036.db2.gz YFABUDMVVDUXLF-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC001574907727 992941371 /nfs/dbraw/zinc/94/13/71/992941371.db2.gz ZLPDGLCYWQFQGX-KGLIPLIRSA-N 2 1 222.376 2.546 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000383646502 993508778 /nfs/dbraw/zinc/50/87/78/993508778.db2.gz CMSGWAQCBGSBGM-GJZGRUSLSA-N 2 1 238.419 2.888 20 30 BFEDMP C=CCCCCC[N@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000226438527 398339755 /nfs/dbraw/zinc/33/97/55/398339755.db2.gz USZKUKGFACQHHC-AWEZNQCLSA-N 2 1 224.392 2.664 20 30 BFEDMP CC1([NH+]2CCCC2)CC[NH+](CCCCC#N)CC1 ZINC000602948575 349819724 /nfs/dbraw/zinc/81/97/24/349819724.db2.gz AQFWFVIUSDTAQY-UHFFFAOYSA-N 2 1 249.402 2.631 20 30 BFEDMP C=CCC1([NH2+]CCc2c[nH+]cn2C)CCCCC1 ZINC000625934411 344574159 /nfs/dbraw/zinc/57/41/59/344574159.db2.gz MRQLGAOVZSSLHT-UHFFFAOYSA-N 2 1 247.386 2.831 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000635017489 345221635 /nfs/dbraw/zinc/22/16/35/345221635.db2.gz DMSADZJLNULGPG-STQMWFEESA-N 2 1 224.392 2.566 20 30 BFEDMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000586795703 346124051 /nfs/dbraw/zinc/12/40/51/346124051.db2.gz OASCPAYNGOSDFL-ILXRZTDVSA-N 2 1 249.402 2.533 20 30 BFEDMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000586795703 346124056 /nfs/dbraw/zinc/12/40/56/346124056.db2.gz OASCPAYNGOSDFL-ILXRZTDVSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000390432834 259388478 /nfs/dbraw/zinc/38/84/78/259388478.db2.gz AUIVBIHRDPJOMO-MGPQQGTHSA-N 2 1 226.408 2.907 20 30 BFEDMP C=CC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623513134 362939727 /nfs/dbraw/zinc/93/97/27/362939727.db2.gz JSUDYWVPZMWTHI-QWHCGFSZSA-N 2 1 224.392 2.804 20 30 BFEDMP C=CCCC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000117881958 350230173 /nfs/dbraw/zinc/23/01/73/350230173.db2.gz YYAFYTDLHOZLMY-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CC[C@@H](C)[C@@H](C)[NH2+]CCCn1cc[nH+]c1C ZINC000268881436 188088893 /nfs/dbraw/zinc/08/88/93/188088893.db2.gz RUKZNPBNDAOQFI-CHWSQXEVSA-N 2 1 235.375 2.772 20 30 BFEDMP C=CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109797 353332177 /nfs/dbraw/zinc/33/21/77/353332177.db2.gz KTUJCJGQPHNASZ-INIZCTEOSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109797 353332179 /nfs/dbraw/zinc/33/21/79/353332179.db2.gz KTUJCJGQPHNASZ-INIZCTEOSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109797 353332181 /nfs/dbraw/zinc/33/21/81/353332181.db2.gz KTUJCJGQPHNASZ-INIZCTEOSA-N 2 1 244.382 2.626 20 30 BFEDMP C=CCC[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000185346987 353793693 /nfs/dbraw/zinc/79/36/93/353793693.db2.gz XMRKYPSMCPMFLQ-OLZOCXBDSA-N 2 1 235.375 2.772 20 30 BFEDMP C=CCCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000300225637 356487069 /nfs/dbraw/zinc/48/70/69/356487069.db2.gz TXJUOVGKRNMXET-ZIAGYGMSSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126765410 358554546 /nfs/dbraw/zinc/55/45/46/358554546.db2.gz CJOUAFWDJLAVJZ-BFHYXJOUSA-N 2 1 222.376 2.558 20 30 BFEDMP C=C(C)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506793 359138597 /nfs/dbraw/zinc/13/85/97/359138597.db2.gz HZSIWKAWFBOODQ-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246506793 359138600 /nfs/dbraw/zinc/13/86/00/359138600.db2.gz HZSIWKAWFBOODQ-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246506793 359138604 /nfs/dbraw/zinc/13/86/04/359138604.db2.gz HZSIWKAWFBOODQ-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=C(C)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246506793 359138607 /nfs/dbraw/zinc/13/86/07/359138607.db2.gz HZSIWKAWFBOODQ-ZFWWWQNUSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000423357881 192730418 /nfs/dbraw/zinc/73/04/18/192730418.db2.gz IURVXMCPBHIUFX-MELADBBJSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629396513 361043212 /nfs/dbraw/zinc/04/32/12/361043212.db2.gz LYDNWSXQKZXSKM-HZSPNIEDSA-N 2 1 224.392 2.851 20 30 BFEDMP C=CCC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530184 361302419 /nfs/dbraw/zinc/30/24/19/361302419.db2.gz AJZPODMSIWFOHO-UHFFFAOYSA-N 2 1 224.392 2.760 20 30 BFEDMP C=CCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336667956 365346852 /nfs/dbraw/zinc/34/68/52/365346852.db2.gz QPJAKJLOQDLXME-KBPBESRZSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000172626013 365357078 /nfs/dbraw/zinc/35/70/78/365357078.db2.gz YUVXZPNHGDCLAW-AWEZNQCLSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000384875325 367748123 /nfs/dbraw/zinc/74/81/23/367748123.db2.gz RYUNJVFOCMSCCJ-YNEHKIRRSA-N 2 1 224.392 2.517 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459727044 203341666 /nfs/dbraw/zinc/34/16/66/203341666.db2.gz HBMMQCUBPSFTCG-KKUMJFAQSA-N 2 1 238.419 2.909 20 30 BFEDMP CCC[NH+](CC#CC[N@H+](CCC)C1CC1)C1CC1 ZINC000341896176 169091004 /nfs/dbraw/zinc/09/10/04/169091004.db2.gz YBTKRNBMTUMPHL-UHFFFAOYSA-N 2 1 248.414 2.739 20 30 BFEDMP C#CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000361239888 533050570 /nfs/dbraw/zinc/05/05/70/533050570.db2.gz AILCJAHNAMVECK-INIZCTEOSA-N 2 1 248.414 2.598 20 30 BFEDMP C=CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275653273 384406237 /nfs/dbraw/zinc/40/62/37/384406237.db2.gz FDTDOEVKIQJISQ-GDBMZVCRSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000275653273 384406239 /nfs/dbraw/zinc/40/62/39/384406239.db2.gz FDTDOEVKIQJISQ-GDBMZVCRSA-N 2 1 244.382 2.815 20 30 BFEDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000423300469 384530501 /nfs/dbraw/zinc/53/05/01/384530501.db2.gz RRIUQYBTWPZSLO-WFASDCNBSA-N 2 1 245.370 2.726 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000336654406 385733518 /nfs/dbraw/zinc/73/35/18/385733518.db2.gz HFEJWEURHGBSGE-KGLIPLIRSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000119957659 387157644 /nfs/dbraw/zinc/15/76/44/387157644.db2.gz PXAWHHOQZHNHTA-MRXNPFEDSA-N 2 1 248.414 2.948 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423374564 387254802 /nfs/dbraw/zinc/25/48/02/387254802.db2.gz CIXJVIPBNIZSNN-IHRRRGAJSA-N 2 1 238.419 2.955 20 30 BFEDMP C=CCC[C@@H](CCC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501227 387349448 /nfs/dbraw/zinc/34/94/48/387349448.db2.gz AQKKOTGNXHFWIK-KGLIPLIRSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CC(C)(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000527928844 387793047 /nfs/dbraw/zinc/79/30/47/387793047.db2.gz UTSBLCAUUNIJMV-UHFFFAOYSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000527929039 387793053 /nfs/dbraw/zinc/79/30/53/387793053.db2.gz VWIMNRWJKRFNCD-QWHCGFSZSA-N 2 1 224.392 2.661 20 30 BFEDMP C=C[C@H](C)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422993665 387802358 /nfs/dbraw/zinc/80/23/58/387802358.db2.gz TVKNAJJULJLJAD-CFVMTHIKSA-N 2 1 230.355 2.644 20 30 BFEDMP C=CCC(C)(C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423140462 387917500 /nfs/dbraw/zinc/91/75/00/387917500.db2.gz YNHWDWQSYBUFEV-NSHDSACASA-N 2 1 233.359 2.747 20 30 BFEDMP C=CCC1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCCC1 ZINC000423154295 387932462 /nfs/dbraw/zinc/93/24/62/387932462.db2.gz JJKVINBIJNDGTB-KGLIPLIRSA-N 2 1 236.403 2.711 20 30 BFEDMP C=C[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000489474345 388217746 /nfs/dbraw/zinc/21/77/46/388217746.db2.gz KEWJTRGCZCBSCW-OAHLLOKOSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCC[C@H](CC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449560718 388231526 /nfs/dbraw/zinc/23/15/26/388231526.db2.gz OUBLEXBRGXLJAF-AVOUXACISA-N 2 1 236.403 2.946 20 30 BFEDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000423266387 388689531 /nfs/dbraw/zinc/68/95/31/388689531.db2.gz RVKGOLGVPLCHLH-DOMZBBRYSA-N 2 1 245.370 2.582 20 30 BFEDMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]CCC#N ZINC000565945755 388980871 /nfs/dbraw/zinc/98/08/71/388980871.db2.gz WCXLMPFTFCZKRS-UHFFFAOYSA-N 2 1 245.370 2.530 20 30 BFEDMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCC#N ZINC000565945755 388980874 /nfs/dbraw/zinc/98/08/74/388980874.db2.gz WCXLMPFTFCZKRS-UHFFFAOYSA-N 2 1 245.370 2.530 20 30 BFEDMP C#C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000368041626 533298418 /nfs/dbraw/zinc/29/84/18/533298418.db2.gz UQQAKHHYLIPYBV-OFQRWUPVSA-N 2 1 248.414 2.641 20 30 BFEDMP C=C(C)CC[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000352002657 533485546 /nfs/dbraw/zinc/48/55/46/533485546.db2.gz ICHJEYYZARZJEK-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=C(C)CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000352046008 134045932 /nfs/dbraw/zinc/04/59/32/134045932.db2.gz JQKOMEUAMFCTGB-HNNXBMFYSA-N 2 1 236.403 2.903 20 30 BFEDMP C[N@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000248786594 135021484 /nfs/dbraw/zinc/02/14/84/135021484.db2.gz IJWNQNGLTFMHHN-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@@H+](CC[NH2+][C@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000248786594 135021486 /nfs/dbraw/zinc/02/14/86/135021486.db2.gz IJWNQNGLTFMHHN-KGLIPLIRSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767806 135251854 /nfs/dbraw/zinc/25/18/54/135251854.db2.gz MCQGLWBKCPPURM-MRXNPFEDSA-N 2 1 244.382 2.674 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)C[C@]1(C)CC[NH2+]C1 ZINC000261767806 135251855 /nfs/dbraw/zinc/25/18/55/135251855.db2.gz MCQGLWBKCPPURM-MRXNPFEDSA-N 2 1 244.382 2.674 20 30 BFEDMP C=C(C)C[N@@H+](C)CCCc1cnccc1C ZINC000348130327 136038065 /nfs/dbraw/zinc/03/80/65/136038065.db2.gz CMBQJULNETXHMB-UHFFFAOYSA-N 2 1 218.344 2.831 20 30 BFEDMP C=CCCCCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000193347550 487610362 /nfs/dbraw/zinc/61/03/62/487610362.db2.gz KZDFZSYTGPPFDT-CQSZACIVSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338562087 166264172 /nfs/dbraw/zinc/26/41/72/166264172.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338562087 166264175 /nfs/dbraw/zinc/26/41/75/166264175.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338562087 166264177 /nfs/dbraw/zinc/26/41/77/166264177.db2.gz ARZLVZZTTCPESX-UKRRQHHQSA-N 2 1 234.387 2.511 20 30 BFEDMP C=CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000661381501 410597048 /nfs/dbraw/zinc/59/70/48/410597048.db2.gz MIBYWGFBXGKKTF-OAHLLOKOSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000661381501 410597053 /nfs/dbraw/zinc/59/70/53/410597053.db2.gz MIBYWGFBXGKKTF-OAHLLOKOSA-N 2 1 247.386 2.870 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C1 ZINC000651682342 411135670 /nfs/dbraw/zinc/13/56/70/411135670.db2.gz VYBVVWFMULPNNK-CABCVRRESA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000651693380 411137049 /nfs/dbraw/zinc/13/70/49/411137049.db2.gz MNASOYPLZDWYEZ-KGLIPLIRSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000651725675 411139052 /nfs/dbraw/zinc/13/90/52/411139052.db2.gz MBXIAOKBOMCQOB-KBXIAJHMSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000651725675 411139053 /nfs/dbraw/zinc/13/90/53/411139053.db2.gz MBXIAOKBOMCQOB-KBXIAJHMSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C ZINC000651865720 411147785 /nfs/dbraw/zinc/14/77/85/411147785.db2.gz FSBJVTGXLPAMGP-CQSZACIVSA-N 2 1 226.408 2.909 20 30 BFEDMP C=C(C)CC[NH2+]C(C)(C)C[N@@H+](C)CCC ZINC000662178221 412020828 /nfs/dbraw/zinc/02/08/28/412020828.db2.gz RNFRCODABWESKC-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=C(C)CC[NH2+]C(C)(C)C[N@H+](C)CCC ZINC000662178221 412020831 /nfs/dbraw/zinc/02/08/31/412020831.db2.gz RNFRCODABWESKC-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662299811 412085929 /nfs/dbraw/zinc/08/59/29/412085929.db2.gz XNPIUPDYYZGCFE-GJZGRUSLSA-N 2 1 236.403 2.664 20 30 BFEDMP CC[C@H](C)[N@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000174337913 323075094 /nfs/dbraw/zinc/07/50/94/323075094.db2.gz JEEFOVQENQNWBP-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP CC[C@H](C)[N@@H+](C)CC[NH2+]CC(C)(C)CCC#N ZINC000174337913 323075095 /nfs/dbraw/zinc/07/50/95/323075095.db2.gz JEEFOVQENQNWBP-ZDUSSCGKSA-N 2 1 239.407 2.636 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C)CC1 ZINC000152011994 323099645 /nfs/dbraw/zinc/09/96/45/323099645.db2.gz VPQDBLVTWKNPNV-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000563364692 323121209 /nfs/dbraw/zinc/12/12/09/323121209.db2.gz OLXBNNUCNYHAMR-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCCC[NH+]1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000563364692 323121210 /nfs/dbraw/zinc/12/12/10/323121210.db2.gz OLXBNNUCNYHAMR-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCCC[N@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563364692 323121211 /nfs/dbraw/zinc/12/12/11/323121211.db2.gz OLXBNNUCNYHAMR-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCCC[N@@H+]1[C@@H]2CC[C@H]1CC[NH+](C)C2 ZINC000563364692 323121212 /nfs/dbraw/zinc/12/12/12/323121212.db2.gz OLXBNNUCNYHAMR-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)C1CC1 ZINC000120117536 323155435 /nfs/dbraw/zinc/15/54/35/323155435.db2.gz YRRYXFJRKYKJGP-CZUORRHYSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCCCC[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000563681520 323167680 /nfs/dbraw/zinc/16/76/80/323167680.db2.gz LANYYYOPIAJNDZ-CYBMUJFWSA-N 2 1 235.375 2.687 20 30 BFEDMP C=CCCCCC[N@H+](C)Cc1cnc(C)n1C ZINC000667650421 488073087 /nfs/dbraw/zinc/07/30/87/488073087.db2.gz XDLHDQAKOCVHLC-UHFFFAOYSA-N 2 1 235.375 2.907 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837269 488135621 /nfs/dbraw/zinc/13/56/21/488135621.db2.gz NZIHGCKHTHDMJN-KBMXLJTQSA-N 2 1 248.414 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+][C@H](C)C[NH+](CC)CC ZINC000126822163 490520368 /nfs/dbraw/zinc/52/03/68/490520368.db2.gz UMTXGEFSRBXOFI-CHWSQXEVSA-N 2 1 212.381 2.661 20 30 BFEDMP C=C(CC)C[N@H+](C)C1CC[NH+](CCC)CC1 ZINC000358489659 534371559 /nfs/dbraw/zinc/37/15/59/534371559.db2.gz KMZNHXLPCMLIDA-UHFFFAOYSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000309346675 534694150 /nfs/dbraw/zinc/69/41/50/534694150.db2.gz WPEYTSLAOZFWSJ-BFHYXJOUSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CCCC[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000081516776 534718273 /nfs/dbraw/zinc/71/82/73/534718273.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081516776 534718276 /nfs/dbraw/zinc/71/82/76/534718276.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCCC[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000081516776 534718284 /nfs/dbraw/zinc/71/82/84/534718284.db2.gz UTHANTFTOUMMNP-AWEZNQCLSA-N 2 1 224.392 2.616 20 30 BFEDMP C=CCC[N@H+](C)[C@H]1CCC[NH+](CCC=C)CC1 ZINC000338568820 534770179 /nfs/dbraw/zinc/77/01/79/534770179.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCC[NH+](C)[C@H]1CCC[N@H+](CCC=C)CC1 ZINC000338568820 534770184 /nfs/dbraw/zinc/77/01/84/534770184.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCC[NH+](C)[C@H]1CCC[N@@H+](CCC=C)CC1 ZINC000338568820 534770186 /nfs/dbraw/zinc/77/01/86/534770186.db2.gz GUEDEUMHJSWIAK-HNNXBMFYSA-N 2 1 236.403 2.925 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@@H](C)C[NH2+]C ZINC000854231064 588781011 /nfs/dbraw/zinc/78/10/11/588781011.db2.gz DANSAOZRCOWNAA-OLZOCXBDSA-N 2 1 212.381 2.709 20 30 BFEDMP C=C(Cl)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000728686635 583904198 /nfs/dbraw/zinc/90/41/98/583904198.db2.gz SLDZUHRCNLQAOK-UHFFFAOYSA-N 2 1 244.810 2.791 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+]CC1([NH3+])CC1 ZINC000902407840 584574882 /nfs/dbraw/zinc/57/48/82/584574882.db2.gz WHVOJIURNSOOGM-GFCCVEGCSA-N 2 1 210.365 2.592 20 30 BFEDMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCCCC2(C#N)CCC2)C1 ZINC000903744284 584796433 /nfs/dbraw/zinc/79/64/33/584796433.db2.gz QTYRMZZSZIZMCF-ZIAGYGMSSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCCC1(C#N)CCC1 ZINC000903768837 584798337 /nfs/dbraw/zinc/79/83/37/584798337.db2.gz SBFJATQAXHIVIA-ZIAGYGMSSA-N 2 1 249.402 2.662 20 30 BFEDMP CCCCCCC[N@@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863879 584812818 /nfs/dbraw/zinc/81/28/18/584812818.db2.gz QFSLVGWQADUXNY-AWEZNQCLSA-N 2 1 224.392 2.785 20 30 BFEDMP CCCCCCC[N@H+]1CCC[C@@]12CC[NH2+]C2 ZINC000903863879 584812820 /nfs/dbraw/zinc/81/28/20/584812820.db2.gz QFSLVGWQADUXNY-AWEZNQCLSA-N 2 1 224.392 2.785 20 30 BFEDMP C#CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000754465585 585284956 /nfs/dbraw/zinc/28/49/56/585284956.db2.gz PAWFBPOGZPIHCW-GJZGRUSLSA-N 2 1 248.414 2.642 20 30 BFEDMP C[C@H](NN=Cc1cnccc1N(C)C)C(C)(C)C ZINC000793111750 586010277 /nfs/dbraw/zinc/01/02/77/586010277.db2.gz LSLVGNOEQSRFDV-NSHDSACASA-N 2 1 248.374 2.506 20 30 BFEDMP C=C(C)CC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178154 586165490 /nfs/dbraw/zinc/16/54/90/586165490.db2.gz GUOWWWWPQCFOMM-UHFFFAOYSA-N 2 1 236.403 2.760 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000815652644 586690212 /nfs/dbraw/zinc/69/02/12/586690212.db2.gz LBSCCBAFDMOTCV-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@H](C)CCCC ZINC000815652644 586690214 /nfs/dbraw/zinc/69/02/14/586690214.db2.gz LBSCCBAFDMOTCV-HUUCEWRRSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCC[C@H](C)[NH2+][C@@H]1CCC[NH2+]C1 ZINC000817941490 586844967 /nfs/dbraw/zinc/84/49/67/586844967.db2.gz QXLHSEVLWGQNRG-UONOGXRCSA-N 2 1 224.392 2.853 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000817960250 586851418 /nfs/dbraw/zinc/85/14/18/586851418.db2.gz LATMVWDTBKJFNW-OCCSQVGLSA-N 2 1 224.392 2.838 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000820846485 587077177 /nfs/dbraw/zinc/07/71/77/587077177.db2.gz GKSUKRVCRWXKMX-HZPDHXFCSA-N 2 1 248.414 2.524 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+]C[C@@H]1C(C)=CCC[C@H]1C ZINC000820846485 587077179 /nfs/dbraw/zinc/07/71/79/587077179.db2.gz GKSUKRVCRWXKMX-HZPDHXFCSA-N 2 1 248.414 2.524 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842480671 588030076 /nfs/dbraw/zinc/03/00/76/588030076.db2.gz YWWSHXHCVVIMGI-AWEZNQCLSA-N 2 1 224.392 2.785 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842480671 588030078 /nfs/dbraw/zinc/03/00/78/588030078.db2.gz YWWSHXHCVVIMGI-AWEZNQCLSA-N 2 1 224.392 2.785 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000850472352 588549251 /nfs/dbraw/zinc/54/92/51/588549251.db2.gz YWZVXVUGNMYHIR-CVEARBPZSA-N 2 1 248.414 2.666 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H]1CCCC[C@H]1CC=C ZINC000850472352 588549253 /nfs/dbraw/zinc/54/92/53/588549253.db2.gz YWZVXVUGNMYHIR-CVEARBPZSA-N 2 1 248.414 2.666 20 30 BFEDMP C=CC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156013 589886431 /nfs/dbraw/zinc/88/64/31/589886431.db2.gz COOBNIORMUTIRP-DZGCQCFKSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CC(C)(C)CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000873280671 590017483 /nfs/dbraw/zinc/01/74/83/590017483.db2.gz USYZINIJUYBLHH-STQMWFEESA-N 2 1 224.392 2.566 20 30 BFEDMP C#CCCCCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000876940869 590259506 /nfs/dbraw/zinc/25/95/06/590259506.db2.gz ZKDDAJOAMVSDOA-HOTGVXAUSA-N 2 1 248.414 2.787 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]CC2(C)CCCC2)CC1 ZINC000877009099 590268910 /nfs/dbraw/zinc/26/89/10/590268910.db2.gz HHZZFEFRVFTXOU-UHFFFAOYSA-N 2 1 236.403 2.807 20 30 BFEDMP C#CCCCCCC[NH2+]CC[N@H+]1CCC[C@H]1C ZINC000877153263 590292776 /nfs/dbraw/zinc/29/27/76/590292776.db2.gz GRISIDDZFKVONR-OAHLLOKOSA-N 2 1 236.403 2.644 20 30 BFEDMP C#CCCCCCC[NH2+]CC[N@@H+]1CCC[C@H]1C ZINC000877153263 590292778 /nfs/dbraw/zinc/29/27/78/590292778.db2.gz GRISIDDZFKVONR-OAHLLOKOSA-N 2 1 236.403 2.644 20 30 BFEDMP C=CC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000878136084 590504949 /nfs/dbraw/zinc/50/49/49/590504949.db2.gz REQMIHUDIDAHLK-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000878136084 590504951 /nfs/dbraw/zinc/50/49/51/590504951.db2.gz REQMIHUDIDAHLK-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286237 590534691 /nfs/dbraw/zinc/53/46/91/590534691.db2.gz LVNBDJHCRCELSC-LZWOXQAQSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000878286237 590534694 /nfs/dbraw/zinc/53/46/94/590534694.db2.gz LVNBDJHCRCELSC-LZWOXQAQSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000878286237 590534695 /nfs/dbraw/zinc/53/46/95/590534695.db2.gz LVNBDJHCRCELSC-LZWOXQAQSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000878286237 590534699 /nfs/dbraw/zinc/53/46/99/590534699.db2.gz LVNBDJHCRCELSC-LZWOXQAQSA-N 2 1 248.414 2.900 20 30 BFEDMP C=CCCC[N@@H+]1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000887133266 592449396 /nfs/dbraw/zinc/44/93/96/592449396.db2.gz XUGQZHMQYPRCEK-AWEZNQCLSA-N 2 1 245.370 2.558 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000158149506 631826822 /nfs/dbraw/zinc/82/68/22/631826822.db2.gz RBMOKXTZFNNBSM-CQSZACIVSA-N 2 1 226.408 2.840 20 30 BFEDMP C=CC[C@H]1CC[N@H+]1CCCCn1cc[nH+]c1C ZINC000934460267 631855081 /nfs/dbraw/zinc/85/50/81/631855081.db2.gz KQFFTQMMPDZNPV-AWEZNQCLSA-N 2 1 233.359 2.622 20 30 BFEDMP C=CC[C@H]1CC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000934460267 631855083 /nfs/dbraw/zinc/85/50/83/631855083.db2.gz KQFFTQMMPDZNPV-AWEZNQCLSA-N 2 1 233.359 2.622 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000164668719 640495917 /nfs/dbraw/zinc/49/59/17/640495917.db2.gz NLAUCWSWXOTRPO-ZIAGYGMSSA-N 2 1 226.408 2.874 20 30 BFEDMP CCCCCCCC[N@@H+](C)CCC[NH3+] ZINC000059088269 640784529 /nfs/dbraw/zinc/78/45/29/640784529.db2.gz PCOWESBUTJDBGQ-UHFFFAOYSA-N 2 1 200.370 2.628 20 30 BFEDMP C=CC[C@H](C)[NH2+][C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000925599621 646352487 /nfs/dbraw/zinc/35/24/87/646352487.db2.gz AVYVNNMDMCOANF-SCRDCRAPSA-N 2 1 218.344 2.629 20 30 BFEDMP C=CC(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000701907227 712031804 /nfs/dbraw/zinc/03/18/04/712031804.db2.gz YCJYZQVSKNLRPO-AGUYFDCRSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CC[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000715055912 712505020 /nfs/dbraw/zinc/50/50/20/712505020.db2.gz ZNZKNZVTDBHKDM-HIFRSBDPSA-N 2 1 236.403 2.663 20 30 BFEDMP C=C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000724570712 710742535 /nfs/dbraw/zinc/74/25/35/710742535.db2.gz GRGJDDMLSDWFRB-HZPDHXFCSA-N 2 1 248.414 2.949 20 30 BFEDMP C=CCCC(C)(C)C[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000704044786 712099045 /nfs/dbraw/zinc/09/90/45/712099045.db2.gz AAETZQSVXNUKHH-CHWSQXEVSA-N 2 1 224.392 2.709 20 30 BFEDMP C=CCCCCCCC[N@H+](C)C[C@H](C)[NH3+] ZINC001236885793 966614633 /nfs/dbraw/zinc/61/46/33/966614633.db2.gz SBEYYVKSHUKPGK-ZDUSSCGKSA-N 2 1 212.381 2.792 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@H]1C ZINC001205905272 967881724 /nfs/dbraw/zinc/88/17/24/967881724.db2.gz ZVWVVZMXKBOXTJ-ZIAGYGMSSA-N 2 1 224.392 2.792 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053262 968021740 /nfs/dbraw/zinc/02/17/40/968021740.db2.gz PBAXDDNZBADYAB-BPLDGKMQSA-N 2 1 234.387 2.568 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC001206053262 968021752 /nfs/dbraw/zinc/02/17/52/968021752.db2.gz PBAXDDNZBADYAB-BPLDGKMQSA-N 2 1 234.387 2.568 20 30 BFEDMP C=CC[NH+](C[C@H]1CCC[N@@H+](C)C1)C(C)(C)C ZINC001208614340 969172064 /nfs/dbraw/zinc/17/20/64/969172064.db2.gz CUQCVMPFYQIPIE-ZDUSSCGKSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[NH+](C[C@H]1CCC[N@H+](C)C1)C(C)(C)C ZINC001208614340 969172069 /nfs/dbraw/zinc/17/20/69/969172069.db2.gz CUQCVMPFYQIPIE-ZDUSSCGKSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[N@@H+](C[C@H]1CCC[NH+](C)C1)C(C)(C)C ZINC001208614340 969172075 /nfs/dbraw/zinc/17/20/75/969172075.db2.gz CUQCVMPFYQIPIE-ZDUSSCGKSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[N@H+](C[C@H]1CCC[NH+](C)C1)C(C)(C)C ZINC001208614340 969172080 /nfs/dbraw/zinc/17/20/80/969172080.db2.gz CUQCVMPFYQIPIE-ZDUSSCGKSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCCCC[NH+]1CCC([NH+]2CCC2)CC1 ZINC001209431648 969500463 /nfs/dbraw/zinc/50/04/63/969500463.db2.gz RCIXSQJNQCJPCN-UHFFFAOYSA-N 2 1 236.403 2.903 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001209432450 969504728 /nfs/dbraw/zinc/50/47/28/969504728.db2.gz FGXYXPBLRYJZCK-HUUCEWRRSA-N 2 1 236.403 2.759 20 30 BFEDMP C[N@H+]1CCC[C@@H]([NH2+]CCCCCCS)CC1 ZINC001254511676 969684543 /nfs/dbraw/zinc/68/45/43/969684543.db2.gz CDZJXHGDEVLVRD-CYBMUJFWSA-N 2 1 244.448 2.551 20 30 BFEDMP C=CCCCC[N@@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081210 970649441 /nfs/dbraw/zinc/64/94/41/970649441.db2.gz UAAFDYQXJSJMBZ-UHFFFAOYSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCC[N@H+](C)C1CC[NH+](C2CC2)CC1 ZINC001256081210 970649447 /nfs/dbraw/zinc/64/94/47/970649447.db2.gz UAAFDYQXJSJMBZ-UHFFFAOYSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CC[N@H+](C)C1CCC([NH+](CC)CC)CC1 ZINC001173114482 975025759 /nfs/dbraw/zinc/02/57/59/975025759.db2.gz MDDMLBRVAWGRPQ-UHFFFAOYSA-N 2 1 224.392 2.757 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@H]2[NH2+]C[C@H]2C1 ZINC001235025958 978954965 /nfs/dbraw/zinc/95/49/65/978954965.db2.gz HLHUOJMIDBIAGS-LSDHHAIUSA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCC[N@@H+](C)CCC[NH+](C)C ZINC001201761763 983465774 /nfs/dbraw/zinc/46/57/74/983465774.db2.gz RLTSHNVLRDCIPZ-UHFFFAOYSA-N 2 1 214.397 2.840 20 30 BFEDMP C#C[C@H]1CCC[N@H+](C2CC[NH+](C(C)(C)C)CC2)C1 ZINC001256573417 970865896 /nfs/dbraw/zinc/86/58/96/970865896.db2.gz IORIKFWIAVUZCF-AWEZNQCLSA-N 2 1 248.414 2.595 20 30 BFEDMP CCCCCCC[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC000403290164 970901578 /nfs/dbraw/zinc/90/15/78/970901578.db2.gz VZOSXSPIJXDUNN-GFCCVEGCSA-N 2 1 248.361 2.873 20 30 BFEDMP C=CCC[NH2+][C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256900911 971012647 /nfs/dbraw/zinc/01/26/47/971012647.db2.gz RVMDDOZCPJAKDW-CYBMUJFWSA-N 2 1 222.376 2.559 20 30 BFEDMP C=CCC[NH2+][C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256900911 971012659 /nfs/dbraw/zinc/01/26/59/971012659.db2.gz RVMDDOZCPJAKDW-CYBMUJFWSA-N 2 1 222.376 2.559 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@]2(CCCC[NH2+]C2)C1 ZINC001222162068 972400842 /nfs/dbraw/zinc/40/08/42/972400842.db2.gz XFIXSBSDLBWSCS-INIZCTEOSA-N 2 1 248.414 2.646 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@]2(CCC[NH2+]C2)C1 ZINC001222265260 972432061 /nfs/dbraw/zinc/43/20/61/972432061.db2.gz QGIRLLBFDNLPGQ-OAHLLOKOSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465555 972500889 /nfs/dbraw/zinc/50/08/89/972500889.db2.gz UNVGURSLBPRWPZ-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@]2(CCC[NH2+]2)C1 ZINC001222465555 972500902 /nfs/dbraw/zinc/50/09/02/972500902.db2.gz UNVGURSLBPRWPZ-HNNXBMFYSA-N 2 1 236.403 2.951 20 30 BFEDMP C=CCCCCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709789761 961586253 /nfs/dbraw/zinc/58/62/53/961586253.db2.gz MXRMUPVGFPHMAI-OAHLLOKOSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@](C)([NH3+])C1 ZINC001204763407 963376880 /nfs/dbraw/zinc/37/68/80/963376880.db2.gz JDVWGZIPSDYZHA-AWEZNQCLSA-N 2 1 224.392 2.936 20 30 BFEDMP C=CCCCCCCCC[N@H+](C)CC[NH3+] ZINC001204699869 963917928 /nfs/dbraw/zinc/91/79/28/963917928.db2.gz SUUPJZRRTNITEQ-UHFFFAOYSA-N 2 1 212.381 2.794 20 30 BFEDMP C=CCCCCCCCC[N@@H+](C)CC[NH3+] ZINC001204699869 963917931 /nfs/dbraw/zinc/91/79/31/963917931.db2.gz SUUPJZRRTNITEQ-UHFFFAOYSA-N 2 1 212.381 2.794 20 30 BFEDMP C=CCCCCCCC[N@H+]1CC[C@@H]([NH3+])C1 ZINC001236167832 966280309 /nfs/dbraw/zinc/28/03/09/966280309.db2.gz GEJTUVYUFAKMEU-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1CC[C@@H]([NH3+])C1 ZINC001236167832 966280314 /nfs/dbraw/zinc/28/03/14/966280314.db2.gz GEJTUVYUFAKMEU-CYBMUJFWSA-N 2 1 210.365 2.546 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269726 968186562 /nfs/dbraw/zinc/18/65/62/968186562.db2.gz SXPMXXJNYFSMBZ-GOEBONIOSA-N 2 1 248.414 2.830 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CC[NH2+]C[C@H](C)C2)CC1 ZINC001206269726 968186567 /nfs/dbraw/zinc/18/65/67/968186567.db2.gz SXPMXXJNYFSMBZ-GOEBONIOSA-N 2 1 248.414 2.830 20 30 BFEDMP CCCCCCC/C=C/C[NH+]1CC(C[NH3+])C1 ZINC001210544434 969933497 /nfs/dbraw/zinc/93/34/97/969933497.db2.gz KXLDPUAZTPZFBM-CMDGGOBGSA-N 2 1 224.392 2.794 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838174 973136084 /nfs/dbraw/zinc/13/60/84/973136084.db2.gz BPPRAWPBKZLUCV-GDBMZVCRSA-N 2 1 244.382 2.815 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)[C@@H]1CC[NH2+][C@H](C)C1 ZINC001246838174 973136112 /nfs/dbraw/zinc/13/61/12/973136112.db2.gz BPPRAWPBKZLUCV-GDBMZVCRSA-N 2 1 244.382 2.815 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172483717 974785497 /nfs/dbraw/zinc/78/54/97/974785497.db2.gz SNRAIYZGRAJUOC-RDBSUJKOSA-N 2 1 237.391 2.531 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1CCCC[C@@H]1[NH+](C)C ZINC001172483716 974786925 /nfs/dbraw/zinc/78/69/25/974786925.db2.gz SNRAIYZGRAJUOC-IHRRRGAJSA-N 2 1 237.391 2.531 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001172489441 974835310 /nfs/dbraw/zinc/83/53/10/974835310.db2.gz RSYLLLFERKFVJH-HIFRSBDPSA-N 2 1 249.402 2.533 20 30 BFEDMP C[C@H](CCCC#N)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001172489441 974835316 /nfs/dbraw/zinc/83/53/16/974835316.db2.gz RSYLLLFERKFVJH-HIFRSBDPSA-N 2 1 249.402 2.533 20 30 BFEDMP CC[NH+]1CCC([NH2+]C2CCC(CC#N)CC2)CC1 ZINC001173326156 975274446 /nfs/dbraw/zinc/27/44/46/975274446.db2.gz TUFFJPPNXNDCDL-UHFFFAOYSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1CCC(CC#N)CC1 ZINC001173330203 975278211 /nfs/dbraw/zinc/27/82/11/975278211.db2.gz YICPUCFHBQNCOA-YMAMQOFZSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC001176770903 978184750 /nfs/dbraw/zinc/18/47/50/978184750.db2.gz BABCHEYODOYWKT-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC001176770903 978184756 /nfs/dbraw/zinc/18/47/56/978184756.db2.gz BABCHEYODOYWKT-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC001176770903 978184763 /nfs/dbraw/zinc/18/47/63/978184763.db2.gz BABCHEYODOYWKT-LSDHHAIUSA-N 2 1 236.403 2.901 20 30 BFEDMP C=CCCCC[N@@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121602 978979131 /nfs/dbraw/zinc/97/91/31/978979131.db2.gz FRSQGZWDBVDDGI-CQSZACIVSA-N 2 1 222.376 2.561 20 30 BFEDMP C=CCCCC[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001235121602 978979139 /nfs/dbraw/zinc/97/91/39/978979139.db2.gz FRSQGZWDBVDDGI-CQSZACIVSA-N 2 1 222.376 2.561 20 30 BFEDMP C=CCCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145531 978980808 /nfs/dbraw/zinc/98/08/08/978980808.db2.gz DEVRJUCZSPDROO-KBPBESRZSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145531 978980814 /nfs/dbraw/zinc/98/08/14/978980814.db2.gz DEVRJUCZSPDROO-KBPBESRZSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2[NH3+] ZINC001235253710 979008523 /nfs/dbraw/zinc/00/85/23/979008523.db2.gz DIKITGMLWDHDTC-KKUMJFAQSA-N 2 1 236.403 2.935 20 30 BFEDMP C=CCCCCCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC001235254494 979012086 /nfs/dbraw/zinc/01/20/86/979012086.db2.gz JMEAJTANKTWUGI-CABCVRRESA-N 2 1 236.403 2.807 20 30 BFEDMP CCCCCCC[N@H+]1CCCC2(C[NH2+]C2)C1 ZINC001235712020 979128308 /nfs/dbraw/zinc/12/83/08/979128308.db2.gz XYNZABRXJYTXHL-UHFFFAOYSA-N 2 1 224.392 2.642 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])CC[C@@H]1C ZINC001235893963 979187182 /nfs/dbraw/zinc/18/71/82/979187182.db2.gz YVGQUBMJEBIYNH-UONOGXRCSA-N 2 1 224.392 2.935 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC001235930999 979215544 /nfs/dbraw/zinc/21/55/44/979215544.db2.gz ZFNUETVQPJDQEO-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235981543 979260276 /nfs/dbraw/zinc/26/02/76/979260276.db2.gz WRWYINDDCSWUTP-PMPSAXMXSA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@@H]3CC[C@]3([NH3+])C2)CC1 ZINC001235981543 979260281 /nfs/dbraw/zinc/26/02/81/979260281.db2.gz WRWYINDDCSWUTP-PMPSAXMXSA-N 2 1 246.398 2.712 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2C[C@H](C)C[C@@H]([NH3+])C2)CC1 ZINC001236045546 979332743 /nfs/dbraw/zinc/33/27/43/979332743.db2.gz VUANLPHJWDQKCF-FVQBIDKESA-N 2 1 248.414 2.958 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2C[C@H](C)C[C@@H]([NH3+])C2)CC1 ZINC001236045546 979332753 /nfs/dbraw/zinc/33/27/53/979332753.db2.gz VUANLPHJWDQKCF-FVQBIDKESA-N 2 1 248.414 2.958 20 30 BFEDMP C=CCCCCCC[N@H+]1CCC[C@@H]1C[NH2+]C ZINC001236416277 979593350 /nfs/dbraw/zinc/59/33/50/979593350.db2.gz CMSZUYPJHQHDDX-CQSZACIVSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCCC[N@@H+]1CCC[C@@H]1C[NH2+]C ZINC001236416277 979593358 /nfs/dbraw/zinc/59/33/58/979593358.db2.gz CMSZUYPJHQHDDX-CQSZACIVSA-N 2 1 224.392 2.807 20 30 BFEDMP C=CCCCCCC[N@H+](C)C[C@@H]([NH3+])CC ZINC001236866309 979771649 /nfs/dbraw/zinc/77/16/49/979771649.db2.gz YYDIYMYXYIRBJP-ZDUSSCGKSA-N 2 1 212.381 2.792 20 30 BFEDMP CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459508335 985523260 /nfs/dbraw/zinc/52/32/60/985523260.db2.gz NEKHGPHKEKKVBP-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP CCC#C[C@@H](C)[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC001459508335 985523274 /nfs/dbraw/zinc/52/32/74/985523274.db2.gz NEKHGPHKEKKVBP-CVEARBPZSA-N 2 1 248.414 2.596 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@H+](CC2CCC2)C1 ZINC001258722287 986056773 /nfs/dbraw/zinc/05/67/73/986056773.db2.gz FYUCJCJFAKRDPH-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](CC2CCC2)C1 ZINC001258722287 986056786 /nfs/dbraw/zinc/05/67/86/986056786.db2.gz FYUCJCJFAKRDPH-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP N#C[C@H]1CC[C@@H]([N@H+](CCC[NH3+])C2CCCCC2)C1 ZINC001254638171 986683873 /nfs/dbraw/zinc/68/38/73/986683873.db2.gz XKAUWYZEJJWMLW-DZGCQCFKSA-N 2 1 249.402 2.662 20 30 BFEDMP C=C(CC)C[NH+]1C[C@@]23C[N@H+](C)C[C@]2(C1)CCCC3 ZINC001473900570 987613816 /nfs/dbraw/zinc/61/38/16/987613816.db2.gz CGROJWXSPVAXDV-IYBDPMFKSA-N 2 1 248.414 2.760 20 30 BFEDMP C=C(CC)C[NH+]1C[C@@]23C[N@@H+](C)C[C@]2(C1)CCCC3 ZINC001473900570 987613821 /nfs/dbraw/zinc/61/38/21/987613821.db2.gz CGROJWXSPVAXDV-IYBDPMFKSA-N 2 1 248.414 2.760 20 30 BFEDMP CCCCCCC[C@H](CC)[NH2+]C[C@H]([NH3+])COC ZINC001246237122 987636102 /nfs/dbraw/zinc/63/61/02/987636102.db2.gz AOJXHKRZONRXBO-KBPBESRZSA-N 2 1 244.423 2.689 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCC[C@]2(CCC[NH2+]C2)C1 ZINC001246610780 988234828 /nfs/dbraw/zinc/23/48/28/988234828.db2.gz NTGKAVZNMVQHST-CABCVRRESA-N 2 1 236.403 2.807 20 30 BFEDMP C=CCC[C@@H](C)[N@H+]1CCCC[C@]12CC[NH2+]C2 ZINC001246644050 988355243 /nfs/dbraw/zinc/35/52/43/988355243.db2.gz PCSQRWPFFPLSCQ-ZIAGYGMSSA-N 2 1 222.376 2.559 20 30 BFEDMP CCCCCCC[C@H](C)[N@@H+]1C[C@@H]2[C@H]([NH3+])[C@@H]2C1 ZINC001246659759 988390115 /nfs/dbraw/zinc/39/01/15/988390115.db2.gz GNCXLGJNFYVVLU-FQUUOJAGSA-N 2 1 224.392 2.624 20 30 BFEDMP C=CC[NH+](CC=C)[C@H]1CC[NH2+][C@H](CCCC)C1 ZINC001246812969 988495709 /nfs/dbraw/zinc/49/57/09/988495709.db2.gz GQNLNSQXDARSNX-CABCVRRESA-N 2 1 236.403 2.971 20 30 BFEDMP C=CCC[C@H](CC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001474756612 992514167 /nfs/dbraw/zinc/51/41/67/992514167.db2.gz JUOJHILAAXINQJ-CBBWQLFWSA-N 2 1 236.403 2.661 20 30 BFEDMP C=CCCCCC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC001574907728 992942531 /nfs/dbraw/zinc/94/25/31/992942531.db2.gz ZLPDGLCYWQFQGX-UONOGXRCSA-N 2 1 222.376 2.546 20 30 BFEDMP C=CC[N@@H+](Cc1ccccc1)CC(C)(C)C[NH3+] ZINC001574932704 992944190 /nfs/dbraw/zinc/94/41/90/992944190.db2.gz FITMNQUHUHGOCN-UHFFFAOYSA-N 2 1 232.371 2.660 20 30 BFEDMP C=CCC[C@H](C)[N@@H+](C)C1CCC([NH3+])CC1 ZINC000381385494 993390723 /nfs/dbraw/zinc/39/07/23/993390723.db2.gz LYDMEZBLAKKUAI-HIFPTAJRSA-N 2 1 210.365 2.543 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000383646504 993506483 /nfs/dbraw/zinc/50/64/83/993506483.db2.gz CMSGWAQCBGSBGM-LSDHHAIUSA-N 2 1 238.419 2.888 20 30 BFEDMP CCCCCCC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC001577430083 993663779 /nfs/dbraw/zinc/66/37/79/993663779.db2.gz MXHYCLPEGDMXOP-KBPBESRZSA-N 2 1 224.392 2.770 20 30 BFEDMP C=CCC[NH+](C)[C@@H](C)CC[N@@H+](C)CCC=C ZINC000276400412 538932271 /nfs/dbraw/zinc/93/22/71/538932271.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCC[NH+](C)CC[C@H](C)[N@H+](C)CCC=C ZINC000276400412 538932272 /nfs/dbraw/zinc/93/22/72/538932272.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C=CCC[NH+](C)CC[C@H](C)[N@@H+](C)CCC=C ZINC000276400412 538932273 /nfs/dbraw/zinc/93/22/73/538932273.db2.gz KMOKKVZPECRKCV-AWEZNQCLSA-N 2 1 224.392 2.781 20 30 BFEDMP C[C@H](CCC#N)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000602559506 349599066 /nfs/dbraw/zinc/59/90/66/349599066.db2.gz DDQPKSIZEQEOPM-FFHGMXDLSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CCC[C@@H](CCC)[NH2+]CCc1c[nH+]cn1C ZINC000530513151 342801503 /nfs/dbraw/zinc/80/15/03/342801503.db2.gz KMGORJYBZOADPF-CYBMUJFWSA-N 2 1 235.375 2.687 20 30 BFEDMP C=CC[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000625704708 344049603 /nfs/dbraw/zinc/04/96/03/344049603.db2.gz ZXTXKPRATLYGTD-HNNXBMFYSA-N 2 1 236.403 2.760 20 30 BFEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000358503690 344565715 /nfs/dbraw/zinc/56/57/15/344565715.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358503690 344565718 /nfs/dbraw/zinc/56/57/18/344565718.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358503690 344565719 /nfs/dbraw/zinc/56/57/19/344565719.db2.gz DNYHWICIOUMSPE-UONOGXRCSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2(C)CC2)CC1 ZINC000153026046 344734713 /nfs/dbraw/zinc/73/47/13/344734713.db2.gz QIBHEWLGRRPVOJ-CYBMUJFWSA-N 2 1 236.403 2.805 20 30 BFEDMP C=C(Cl)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000136096456 345475879 /nfs/dbraw/zinc/47/58/79/345475879.db2.gz XWGAGOWSFCDFHJ-PWSUYJOCSA-N 2 1 239.750 2.519 20 30 BFEDMP C=C(Cl)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000136096456 345475880 /nfs/dbraw/zinc/47/58/80/345475880.db2.gz XWGAGOWSFCDFHJ-PWSUYJOCSA-N 2 1 239.750 2.519 20 30 BFEDMP N#CC1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCCCC1 ZINC000596651773 348605828 /nfs/dbraw/zinc/60/58/28/348605828.db2.gz NLANVGRXGBTESF-UONOGXRCSA-N 2 1 249.402 2.568 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1CCC ZINC000336672228 350430443 /nfs/dbraw/zinc/43/04/43/350430443.db2.gz AFAUOLMLGVWONL-ZIAGYGMSSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+]1CCC ZINC000336672228 350430446 /nfs/dbraw/zinc/43/04/46/350430446.db2.gz AFAUOLMLGVWONL-ZIAGYGMSSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C ZINC000336648090 350565470 /nfs/dbraw/zinc/56/54/70/350565470.db2.gz CJTQXDMSKBABHU-MJBXVCDLSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CC[C@H](C)[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C ZINC000336648090 350565472 /nfs/dbraw/zinc/56/54/72/350565472.db2.gz CJTQXDMSKBABHU-MJBXVCDLSA-N 2 1 226.408 2.905 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000336776175 353461074 /nfs/dbraw/zinc/46/10/74/353461074.db2.gz DYSXMBDOUNRRHF-ZIAGYGMSSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CC[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH2+]C1 ZINC000346844889 355135556 /nfs/dbraw/zinc/13/55/56/355135556.db2.gz MCDYGLJNHPOZPX-MRXNPFEDSA-N 2 1 244.382 2.674 20 30 BFEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000352016616 134036759 /nfs/dbraw/zinc/03/67/59/134036759.db2.gz YOPCLZSZUGBOKB-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000352016616 134036760 /nfs/dbraw/zinc/03/67/60/134036760.db2.gz YOPCLZSZUGBOKB-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[N@H+](C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000352016616 134036761 /nfs/dbraw/zinc/03/67/61/134036761.db2.gz YOPCLZSZUGBOKB-KGLIPLIRSA-N 2 1 224.392 2.757 20 30 BFEDMP C=C(C)CC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000351891952 356158290 /nfs/dbraw/zinc/15/82/90/356158290.db2.gz RURZWSNYTQFUNH-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683435 356593569 /nfs/dbraw/zinc/59/35/69/356593569.db2.gz ZDCWTQOXANIJMK-UHFFFAOYSA-N 2 1 245.370 2.560 20 30 BFEDMP C=CC[NH+](C/C=C\C[N@H+](CC=C)C1CC1)C1CC1 ZINC000357534400 134183796 /nfs/dbraw/zinc/18/37/96/134183796.db2.gz ZSPDOHRUXMIKMI-WAYWQWQTSA-N 2 1 246.398 2.843 20 30 BFEDMP C=C(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000211866011 134242248 /nfs/dbraw/zinc/24/22/48/134242248.db2.gz KDKHXISUDOTOQR-GOEBONIOSA-N 2 1 244.382 2.772 20 30 BFEDMP CC(C)(CCC#N)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000135151038 358822135 /nfs/dbraw/zinc/82/21/35/358822135.db2.gz OPNWZQGDZXMODN-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000090003410 360052437 /nfs/dbraw/zinc/05/24/37/360052437.db2.gz MYMVNDAUBYYWBL-CQSZACIVSA-N 2 1 247.386 2.641 20 30 BFEDMP C=CC[NH+]1CCC([NH2+]C[C@H](C)CC(C)C)CC1 ZINC000573352743 364808873 /nfs/dbraw/zinc/80/88/73/364808873.db2.gz JQHUDMYXYPFAIY-CQSZACIVSA-N 2 1 238.419 2.909 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459784011 203367805 /nfs/dbraw/zinc/36/78/05/203367805.db2.gz NTUQJTZYNMZFCK-KBPBESRZSA-N 2 1 224.392 2.663 20 30 BFEDMP C=CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624122209 371323662 /nfs/dbraw/zinc/32/36/62/371323662.db2.gz MERPKMSJODHBGS-ZIAGYGMSSA-N 2 1 224.392 2.663 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](C)C2)CC1 ZINC000174363156 374187105 /nfs/dbraw/zinc/18/71/05/374187105.db2.gz NCWWMIGQSQCSQJ-ZFWWWQNUSA-N 2 1 236.403 2.805 20 30 BFEDMP CC1(C)CCC[N@@H+]1CCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000449783091 385234271 /nfs/dbraw/zinc/23/42/71/385234271.db2.gz NEISWMYAOKCTFC-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CCN[C@@H]1CCC[C@@H](C#N)C1 ZINC000449783091 385234274 /nfs/dbraw/zinc/23/42/74/385234274.db2.gz NEISWMYAOKCTFC-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449783091 385234278 /nfs/dbraw/zinc/23/42/78/385234278.db2.gz NEISWMYAOKCTFC-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP CC1(C)CCC[N@H+]1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000449783091 385234283 /nfs/dbraw/zinc/23/42/83/385234283.db2.gz NEISWMYAOKCTFC-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCCCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000581707428 385706362 /nfs/dbraw/zinc/70/63/62/385706362.db2.gz AVLCWOMVOXLKHT-AWEZNQCLSA-N 2 1 224.392 2.759 20 30 BFEDMP C=CCC[C@H](C)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397627 386566913 /nfs/dbraw/zinc/56/69/13/386566913.db2.gz JSFWBRXDGWZXIM-ZDUSSCGKSA-N 2 1 224.392 2.805 20 30 BFEDMP C=CCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977044 386570845 /nfs/dbraw/zinc/57/08/45/386570845.db2.gz XKMFQAUNOBJXES-HUUCEWRRSA-N 2 1 236.403 2.664 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccco1 ZINC000423401332 387238780 /nfs/dbraw/zinc/23/87/80/387238780.db2.gz QUSXBXCITZBRCP-MJBXVCDLSA-N 2 1 248.370 2.875 20 30 BFEDMP C=CC[C@H](C)[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423530084 387359335 /nfs/dbraw/zinc/35/93/35/387359335.db2.gz PFOGBLYSWRPVRZ-SCRDCRAPSA-N 2 1 224.392 2.694 20 30 BFEDMP C=CCC[C@H](CCC)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000643501226 387349599 /nfs/dbraw/zinc/34/95/99/387349599.db2.gz AQKKOTGNXHFWIK-KBPBESRZSA-N 2 1 224.392 2.853 20 30 BFEDMP C[NH+](CC#CC[N@H+](C)C1CCCC1)C1CCCC1 ZINC000516497101 387517053 /nfs/dbraw/zinc/51/70/53/387517053.db2.gz HUQVUFAWIZHQLT-UHFFFAOYSA-N 2 1 248.414 2.739 20 30 BFEDMP C=CC(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000527733588 387682435 /nfs/dbraw/zinc/68/24/35/387682435.db2.gz DGBFAZJTGLAWNI-UONOGXRCSA-N 2 1 236.403 2.805 20 30 BFEDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442653605 387814901 /nfs/dbraw/zinc/81/49/01/387814901.db2.gz RBEJXAKPHHHHOY-KFWWJZLASA-N 2 1 249.402 2.533 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C1CC1 ZINC000438977677 387969861 /nfs/dbraw/zinc/96/98/61/387969861.db2.gz LGYWKMRPQXFDAP-YUELXQCFSA-N 2 1 236.403 2.804 20 30 BFEDMP C=CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C1CC1 ZINC000438977677 387969866 /nfs/dbraw/zinc/96/98/66/387969866.db2.gz LGYWKMRPQXFDAP-YUELXQCFSA-N 2 1 236.403 2.804 20 30 BFEDMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC(C)(C#N)CC1 ZINC000423294875 388077356 /nfs/dbraw/zinc/07/73/56/388077356.db2.gz DADWXFCAAIVMRT-MOKVOYLWSA-N 2 1 237.391 2.566 20 30 BFEDMP C=CCCCC[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000449107797 388143895 /nfs/dbraw/zinc/14/38/95/388143895.db2.gz NYVAGLYPYWDVDI-ZDUSSCGKSA-N 2 1 235.375 2.916 20 30 BFEDMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423289290 388689886 /nfs/dbraw/zinc/68/98/86/388689886.db2.gz WRXFIFYRLLSUSE-LBPRGKRZSA-N 2 1 245.370 2.726 20 30 BFEDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000423299121 388690837 /nfs/dbraw/zinc/69/08/37/388690837.db2.gz PHSJBWHEQJHMAO-WFASDCNBSA-N 2 1 245.370 2.726 20 30 BFEDMP C=C(C)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375760814 533486225 /nfs/dbraw/zinc/48/62/25/533486225.db2.gz GOJHZYRSKPKBSV-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375760814 533486228 /nfs/dbraw/zinc/48/62/28/533486228.db2.gz GOJHZYRSKPKBSV-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C=C(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375760814 533486235 /nfs/dbraw/zinc/48/62/35/533486235.db2.gz GOJHZYRSKPKBSV-PBWFPOADSA-N 2 1 222.376 2.510 20 30 BFEDMP C#CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000374429714 134236945 /nfs/dbraw/zinc/23/69/45/134236945.db2.gz PWUSGXIHNPSUHB-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000374429714 134236946 /nfs/dbraw/zinc/23/69/46/134236946.db2.gz PWUSGXIHNPSUHB-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C#CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000374429714 134236947 /nfs/dbraw/zinc/23/69/47/134236947.db2.gz PWUSGXIHNPSUHB-JKSUJKDBSA-N 2 1 248.414 2.596 20 30 BFEDMP C=C(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000211866160 134242286 /nfs/dbraw/zinc/24/22/86/134242286.db2.gz KDKHXISUDOTOQR-HOCLYGCPSA-N 2 1 244.382 2.772 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@H](C)C2CCC2)CC1 ZINC000177915251 134302364 /nfs/dbraw/zinc/30/23/64/134302364.db2.gz MGBYNPCDAUSYRD-CYBMUJFWSA-N 2 1 236.403 2.805 20 30 BFEDMP C[N@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185820075 134391736 /nfs/dbraw/zinc/39/17/36/134391736.db2.gz IJWNQNGLTFMHHN-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@@H+](CC[NH2+][C@H]1CCC[C@H](C#N)C1)C1CCCC1 ZINC000185820075 134391737 /nfs/dbraw/zinc/39/17/37/134391737.db2.gz IJWNQNGLTFMHHN-KBPBESRZSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000248786597 135021637 /nfs/dbraw/zinc/02/16/37/135021637.db2.gz IJWNQNGLTFMHHN-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP C[N@@H+](CC[NH2+][C@@H]1CCC[C@@H](C#N)C1)C1CCCC1 ZINC000248786597 135021638 /nfs/dbraw/zinc/02/16/38/135021638.db2.gz IJWNQNGLTFMHHN-ZIAGYGMSSA-N 2 1 249.402 2.533 20 30 BFEDMP Cc1ccncc1CCC[N@H+](C)[C@H](C)CC#N ZINC000347771117 136008632 /nfs/dbraw/zinc/00/86/32/136008632.db2.gz IHXXAPQSAOGZSU-CYBMUJFWSA-N 2 1 231.343 2.557 20 30 BFEDMP Cc1ccncc1CCCN(C)[C@H](C)CC#N ZINC000347771117 136008633 /nfs/dbraw/zinc/00/86/33/136008633.db2.gz IHXXAPQSAOGZSU-CYBMUJFWSA-N 2 1 231.343 2.557 20 30 BFEDMP C=CCC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)C1CC1 ZINC000271883936 166295223 /nfs/dbraw/zinc/29/52/23/166295223.db2.gz QFFPEPHWMCOOKT-OAHLLOKOSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CC1 ZINC000269712289 166296290 /nfs/dbraw/zinc/29/62/90/166296290.db2.gz OFEFLZWRTLSGOI-OAHLLOKOSA-N 2 1 247.386 2.916 20 30 BFEDMP C=CC[NH+](C/C=C/C[N@H+](CC=C)C1CC1)C1CC1 ZINC000271547442 166323045 /nfs/dbraw/zinc/32/30/45/166323045.db2.gz ZSPDOHRUXMIKMI-AATRIKPKSA-N 2 1 246.398 2.843 20 30 BFEDMP C=CC[NH+](CC=C)CC[C@@H]1CCCC[N@H+]1C ZINC000267841373 166335452 /nfs/dbraw/zinc/33/54/52/166335452.db2.gz BEKOOGNISMZUST-AWEZNQCLSA-N 2 1 222.376 2.535 20 30 BFEDMP C=CC[NH+](CC=C)CC[C@@H]1CCCC[N@@H+]1C ZINC000267841373 166335455 /nfs/dbraw/zinc/33/54/55/166335455.db2.gz BEKOOGNISMZUST-AWEZNQCLSA-N 2 1 222.376 2.535 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000651693381 411137027 /nfs/dbraw/zinc/13/70/27/411137027.db2.gz MNASOYPLZDWYEZ-UONOGXRCSA-N 2 1 233.359 2.526 20 30 BFEDMP C=CC[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000651748685 411141102 /nfs/dbraw/zinc/14/11/02/411141102.db2.gz UNVYQLTWLSXIMX-DZGCQCFKSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CC[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000651748688 411141207 /nfs/dbraw/zinc/14/12/07/411141207.db2.gz UNVYQLTWLSXIMX-ZFWWWQNUSA-N 2 1 234.387 2.583 20 30 BFEDMP C=CC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C)CC1 ZINC000657824167 411607885 /nfs/dbraw/zinc/60/78/85/411607885.db2.gz RZBCRUAWYQANTA-DZGCQCFKSA-N 2 1 236.403 2.805 20 30 BFEDMP C=CC[N@@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000661760299 411871713 /nfs/dbraw/zinc/87/17/13/411871713.db2.gz PNBNVTZWWZJMRR-UHFFFAOYSA-N 2 1 235.375 2.868 20 30 BFEDMP C=CC[N@H+](CCCn1cc[nH+]c1C)C(C)(C)C ZINC000661760299 411871718 /nfs/dbraw/zinc/87/17/18/411871718.db2.gz PNBNVTZWWZJMRR-UHFFFAOYSA-N 2 1 235.375 2.868 20 30 BFEDMP C=CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000651676338 487815359 /nfs/dbraw/zinc/81/53/59/487815359.db2.gz WVXIGMPMEUWYFQ-QLFBSQMISA-N 2 1 248.414 2.805 20 30 BFEDMP C=CC[N@@H+](CCn1ccnc1)Cc1cccs1 ZINC000163261894 326242414 /nfs/dbraw/zinc/24/24/14/326242414.db2.gz GRRDSMJECXCZPT-UHFFFAOYSA-N 2 1 247.367 2.633 20 30 BFEDMP C=CCN(CCn1ccnc1)Cc1cccs1 ZINC000163261894 326242416 /nfs/dbraw/zinc/24/24/16/326242416.db2.gz GRRDSMJECXCZPT-UHFFFAOYSA-N 2 1 247.367 2.633 20 30 BFEDMP CCC#C[C@H](C)[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478985 488048801 /nfs/dbraw/zinc/04/88/01/488048801.db2.gz FKPVPXPHFUIEPI-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000677478985 488048805 /nfs/dbraw/zinc/04/88/05/488048805.db2.gz FKPVPXPHFUIEPI-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000677478985 488048808 /nfs/dbraw/zinc/04/88/08/488048808.db2.gz FKPVPXPHFUIEPI-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP CCC#C[C@H](C)[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000677478985 488048810 /nfs/dbraw/zinc/04/88/10/488048810.db2.gz FKPVPXPHFUIEPI-GJZGRUSLSA-N 2 1 236.403 2.595 20 30 BFEDMP C=C(C)C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)CC1 ZINC000667837270 488135735 /nfs/dbraw/zinc/13/57/35/488135735.db2.gz NZIHGCKHTHDMJN-VNQPRFMTSA-N 2 1 248.414 2.805 20 30 BFEDMP C=C(CC)C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000358615501 534375036 /nfs/dbraw/zinc/37/50/36/534375036.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000358615501 534375044 /nfs/dbraw/zinc/37/50/44/534375044.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(CC)C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000358615501 534375048 /nfs/dbraw/zinc/37/50/48/534375048.db2.gz NQSOAMPGLBUVNT-UONOGXRCSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CCCCC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000309346676 534694958 /nfs/dbraw/zinc/69/49/58/534694958.db2.gz WPEYTSLAOZFWSJ-HZSPNIEDSA-N 2 1 224.392 2.661 20 30 BFEDMP C=CC[C@H]1CCC[N@@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903764810 584797262 /nfs/dbraw/zinc/79/72/62/584797262.db2.gz BNJGRCZFTBHKMJ-GJZGRUSLSA-N 2 1 236.403 2.664 20 30 BFEDMP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000903950225 584831071 /nfs/dbraw/zinc/83/10/71/584831071.db2.gz KJMKDJZSGFJUDL-WFASDCNBSA-N 2 1 245.370 2.582 20 30 BFEDMP C=CC[C@H]1[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CCCC1(C)C ZINC000904348964 584868852 /nfs/dbraw/zinc/86/88/52/584868852.db2.gz XYGCJYZBTSKNIU-HZSPNIEDSA-N 2 1 236.403 2.790 20 30 BFEDMP C#CC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000815652645 586690045 /nfs/dbraw/zinc/69/00/45/586690045.db2.gz LBSCCBAFDMOTCV-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C#CC[N@H+](C)CCC[NH2+][C@H](C)[C@@H](C)CCCC ZINC000815652645 586690046 /nfs/dbraw/zinc/69/00/46/586690046.db2.gz LBSCCBAFDMOTCV-LSDHHAIUSA-N 2 1 238.419 2.746 20 30 BFEDMP C=CCCCCC[C@@H](C)[NH2+][C@H]1CCC[NH2+]C1 ZINC000817941488 586845626 /nfs/dbraw/zinc/84/56/26/586845626.db2.gz QXLHSEVLWGQNRG-KGLIPLIRSA-N 2 1 224.392 2.853 20 30 BFEDMP CCCCCCCC[N@@H+]1CCC[C@@H]([NH3+])C1 ZINC000108665165 588480706 /nfs/dbraw/zinc/48/07/06/588480706.db2.gz KCRHZQWJDUYANO-CYBMUJFWSA-N 2 1 212.381 2.770 20 30 BFEDMP CCCCCCCC[N@H+]1CCC[C@@H]([NH3+])C1 ZINC000108665165 588480708 /nfs/dbraw/zinc/48/07/08/588480708.db2.gz KCRHZQWJDUYANO-CYBMUJFWSA-N 2 1 212.381 2.770 20 30 BFEDMP C=CC[C@H](C)[NH+]1CC[C@@H](C[N@H+](C)CCC)C1 ZINC000878159508 590510551 /nfs/dbraw/zinc/51/05/51/590510551.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000878159508 590510552 /nfs/dbraw/zinc/51/05/52/590510552.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=CC[C@H](C)[N@H+]1CC[C@@H](C[NH+](C)CCC)C1 ZINC000878159508 590510553 /nfs/dbraw/zinc/51/05/53/590510553.db2.gz MWYJEMIGGLZOGJ-KBPBESRZSA-N 2 1 224.392 2.615 20 30 BFEDMP C=C(C)CC[N@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000880258863 590979059 /nfs/dbraw/zinc/97/90/59/590979059.db2.gz DJHYWHFKCYBSBV-CQSZACIVSA-N 2 1 245.370 2.558 20 30 BFEDMP C#CC[N@@H+](CCC[NH+]1CCCCC1)C1CCCC1 ZINC000161526592 632070552 /nfs/dbraw/zinc/07/05/52/632070552.db2.gz RZEMSJPLXNPLCS-UHFFFAOYSA-N 2 1 248.414 2.740 20 30 BFEDMP C=CC(C)(C)C[NH2+][C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000925683623 634288422 /nfs/dbraw/zinc/28/84/22/634288422.db2.gz TZIUEEVQAQZLGB-JSGCOSHPSA-N 2 1 232.371 2.877 20 30 BFEDMP C=CCCC[N@@H+](CC)CC[NH2+]C(C)(C)C ZINC000904474456 637425451 /nfs/dbraw/zinc/42/54/51/637425451.db2.gz UMQADDHEQXHPET-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CCCC[N@H+](CC)CC[NH2+]C(C)(C)C ZINC000904474456 637425455 /nfs/dbraw/zinc/42/54/55/637425455.db2.gz UMQADDHEQXHPET-UHFFFAOYSA-N 2 1 212.381 2.663 20 30 BFEDMP C=CC[C@H]1CC[N@H+]1CCC[NH+]1CCCCC1 ZINC000934460958 641153715 /nfs/dbraw/zinc/15/37/15/641153715.db2.gz LIPJRDGQUXTDJH-AWEZNQCLSA-N 2 1 222.376 2.513 20 30 BFEDMP C=CC[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1 ZINC000903119822 710893950 /nfs/dbraw/zinc/89/39/50/710893950.db2.gz KBXGKVHTQMWCPC-IKKMQULASA-N 2 1 234.387 2.698 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000161212006 711584830 /nfs/dbraw/zinc/58/48/30/711584830.db2.gz VNUJNKQXRCGSIE-OLZOCXBDSA-N 2 1 212.381 2.626 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@H]([NH3+])CC1 ZINC001205094300 965726764 /nfs/dbraw/zinc/72/67/64/965726764.db2.gz LERSKDKASCHAHX-ZDUSSCGKSA-N 2 1 210.365 2.546 20 30 BFEDMP C=CCCCCCC[N@@H+]1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205863402 967863120 /nfs/dbraw/zinc/86/31/20/967863120.db2.gz QTBRLPDEQXJVRK-KGLIPLIRSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCC[N@@H+]1CCC[C@H](C[NH3+])[C@@H]1C ZINC001205905270 967878862 /nfs/dbraw/zinc/87/88/62/967878862.db2.gz ZVWVVZMXKBOXTJ-UONOGXRCSA-N 2 1 224.392 2.792 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]2CC[C@@H](C1)[C@@H]2[NH3+] ZINC001235958707 979230184 /nfs/dbraw/zinc/23/01/84/979230184.db2.gz JEKVDJCKROOUJO-QDMKHBRRSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CCCCCCCC[N@@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235978855 979235010 /nfs/dbraw/zinc/23/50/10/979235010.db2.gz KRBPRIIODVQPFI-CABCVRRESA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCC[NH2+][C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC001256905918 971017533 /nfs/dbraw/zinc/01/75/33/971017533.db2.gz VZBJUKIOFJTTMY-AWEZNQCLSA-N 2 1 236.403 2.949 20 30 BFEDMP C=CCCC[NH2+][C@H]1CCC[N@H+](C2CCCC2)C1 ZINC001256905918 971017543 /nfs/dbraw/zinc/01/75/43/971017543.db2.gz VZBJUKIOFJTTMY-AWEZNQCLSA-N 2 1 236.403 2.949 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H](N)CC1 ZINC001206156942 974328763 /nfs/dbraw/zinc/32/87/63/974328763.db2.gz UPINLQUYDLYBJN-OLZOCXBDSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156942 974328768 /nfs/dbraw/zinc/32/87/68/974328768.db2.gz UPINLQUYDLYBJN-OLZOCXBDSA-N 2 1 230.371 2.718 20 30 BFEDMP CCCCCCC[N@@H+]1CC[C@@H](F)[C@@H]([NH3+])CC1 ZINC001206156942 974328779 /nfs/dbraw/zinc/32/87/79/974328779.db2.gz UPINLQUYDLYBJN-OLZOCXBDSA-N 2 1 230.371 2.718 20 30 BFEDMP C#CCCC[N@H+]1CCCC[C@H]1CC[NH+]1CCCC1 ZINC001209265670 957371440 /nfs/dbraw/zinc/37/14/40/957371440.db2.gz CXRWBOMNMMADLW-INIZCTEOSA-N 2 1 248.414 2.740 20 30 BFEDMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)CC(C)(C)C#N ZINC000695840482 960513067 /nfs/dbraw/zinc/51/30/67/960513067.db2.gz BSVWLNMFQVUAGY-CHWSQXEVSA-N 2 1 239.407 2.635 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC001236817184 966554916 /nfs/dbraw/zinc/55/49/16/966554916.db2.gz ABAXFOIEXXSWIT-ZNMIVQPWSA-N 2 1 236.403 2.792 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC001236817175 966556787 /nfs/dbraw/zinc/55/67/87/966556787.db2.gz ABAXFOIEXXSWIT-RRFJBIMHSA-N 2 1 236.403 2.792 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@@H+]2CCC[NH2+]CC2)CC1 ZINC001204654925 967114499 /nfs/dbraw/zinc/11/44/99/967114499.db2.gz GQFZMKXOPRJCFI-OAHLLOKOSA-N 2 1 234.387 2.584 20 30 BFEDMP C=C(C)[C@@H]1CC=C(C[N@H+]2CCC[NH2+]CC2)CC1 ZINC001204654925 967114508 /nfs/dbraw/zinc/11/45/08/967114508.db2.gz GQFZMKXOPRJCFI-OAHLLOKOSA-N 2 1 234.387 2.584 20 30 BFEDMP C=C[C@@H]1CCCC[N@@H+]1CC1CC[NH+](CC)CC1 ZINC001205583737 967704044 /nfs/dbraw/zinc/70/40/44/967704044.db2.gz SUYSSWBCXXFZKE-OAHLLOKOSA-N 2 1 236.403 2.759 20 30 BFEDMP C=CC[NH2+][C@H]1CCC[N@@H+](Cc2ccccc2)CC1 ZINC001255390273 970128037 /nfs/dbraw/zinc/12/80/37/970128037.db2.gz ANGUBUJHJULBDL-INIZCTEOSA-N 2 1 244.382 2.817 20 30 BFEDMP C[C@@]1(C[NH3+])CCC[N@H+](C2CCC(C#N)CC2)CC1 ZINC001246577798 972895316 /nfs/dbraw/zinc/89/53/16/972895316.db2.gz PRIKBKNTLZLLPP-YMAMQOFZSA-N 2 1 249.402 2.520 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC001172488149 974832271 /nfs/dbraw/zinc/83/22/71/974832271.db2.gz JRXIBADZROILOC-XQLPTFJDSA-N 2 1 249.402 2.674 20 30 BFEDMP C[C@@H](CCCC#N)[NH2+][C@H]1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC001172488149 974832275 /nfs/dbraw/zinc/83/22/75/974832275.db2.gz JRXIBADZROILOC-XQLPTFJDSA-N 2 1 249.402 2.674 20 30 BFEDMP C=CCCCCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC001234994538 978944275 /nfs/dbraw/zinc/94/42/75/978944275.db2.gz ULXBVECKGWFERT-HNNXBMFYSA-N 2 1 236.403 2.808 20 30 BFEDMP C=CCCCCCCCC[N@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145159 978981235 /nfs/dbraw/zinc/98/12/35/978981235.db2.gz CPCVQOCTIUYPTG-GJZGRUSLSA-N 2 1 236.403 2.936 20 30 BFEDMP C=CCCCCCCCC[N@@H+]1C[C@@H]2C[C@]2([NH3+])C1 ZINC001235145159 978981240 /nfs/dbraw/zinc/98/12/40/978981240.db2.gz CPCVQOCTIUYPTG-GJZGRUSLSA-N 2 1 236.403 2.936 20 30 BFEDMP CCCCCCCC[N@H+]1C[C@H]2CC[C@]2([NH3+])C1 ZINC001235980565 979254540 /nfs/dbraw/zinc/25/45/40/979254540.db2.gz QJOARDXCWLJCCM-KGLIPLIRSA-N 2 1 224.392 2.770 20 30 BFEDMP C=CCCCCCC[N@@H+]1C[C@H]([NH3+])C[C@H](C)C1 ZINC001236043678 979336832 /nfs/dbraw/zinc/33/68/32/979336832.db2.gz DDJHCZCSXFFSNZ-UONOGXRCSA-N 2 1 224.392 2.792 20 30 BFEDMP CCCCCCC[N@H+](C)C1CC[NH+](C)CC1 ZINC001201761774 983468341 /nfs/dbraw/zinc/46/83/41/983468341.db2.gz RWEMPIVMMAFMGI-UHFFFAOYSA-N 2 1 226.408 2.983 20 30 BFEDMP CCCCCCC[N@@H+](C)C1CC[NH+](C)CC1 ZINC001201761774 983468344 /nfs/dbraw/zinc/46/83/44/983468344.db2.gz RWEMPIVMMAFMGI-UHFFFAOYSA-N 2 1 226.408 2.983 20 30 BFEDMP C=CCCCC[N@H+]1CCC[C@@H](C[NH3+])[C@H](C)C1 ZINC001205985080 984299140 /nfs/dbraw/zinc/29/91/40/984299140.db2.gz VQMAQSPKKOMDKZ-KGLIPLIRSA-N 2 1 224.392 2.650 20 30 BFEDMP CCCCCCCC[NH2+][C@@H]1C[NH2+][C@@H](C)C1 ZINC001246244910 987645311 /nfs/dbraw/zinc/64/53/11/987645311.db2.gz SCFGDVNULJZVOJ-STQMWFEESA-N 2 1 212.381 2.687 20 30 BFEDMP CCCCCCC[C@@H](C)[NH2+]C1(C[NH3+])CC1 ZINC001246448583 987806936 /nfs/dbraw/zinc/80/69/36/987806936.db2.gz TXFWGZNWOQMBAG-GFCCVEGCSA-N 2 1 212.381 2.816 20 30 BFEDMP C=C1C[C@@H]2CC([NH2+][C@@H]3C[NH2+]C[C@H](C)C3)C[C@H](C1)C2 ZINC001246495338 987850186 /nfs/dbraw/zinc/85/01/86/987850186.db2.gz JDKQMRHCFBOCOC-JDOFQRQTSA-N 2 1 248.414 2.709 20 30 BFEDMP N#CCC1CCC([N@H+]2CCCC[C@H](C[NH3+])C2)CC1 ZINC001246580182 988106151 /nfs/dbraw/zinc/10/61/51/988106151.db2.gz FNCNNDRXVIBPKJ-SHARSMKWSA-N 2 1 249.402 2.520 20 30 BFEDMP CCCCCCC[N@@H+](C)[C@@H]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC001246777512 988455357 /nfs/dbraw/zinc/45/53/57/988455357.db2.gz MLJWZOCTJUUQDW-FICVDOATSA-N 2 1 238.419 2.887 20 30 BFEDMP C[NH+](C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC001326560426 989607128 /nfs/dbraw/zinc/60/71/28/989607128.db2.gz HFZYQTSWPWYFKF-ZQDZILKHSA-N 2 1 249.402 2.531 20 30 BFEDMP C=CCC[C@@H](C)[N@@H+]1C[C@H]2C[NH+](CCC)C[C@H]2C1 ZINC001258734311 991681016 /nfs/dbraw/zinc/68/10/16/991681016.db2.gz WMYJLCRCXJTFKI-KFWWJZLASA-N 2 1 236.403 2.615 20 30 BFEDMP